Model name: model_name=EAM_Dynamo_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_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=2.8665000349283223
cohesive_energy=4.280336677243816
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=[1.7036585019975598e-19, 2.5228514149617598e-19, 3.1804808361534e-19, 3.7654996122921598e-19, 4.2778436563126797e-19, 4.69352838400398e-19, 5.02333644411288e-19, 5.28612545562156e-19, 5.499070752046499e-19, 5.679411753969539e-19, 5.841167506938179e-19, 5.9925411553185e-19, 6.135823811697119e-19, 6.26934921237468e-19, 6.3904417223724e-19, 6.497210773262161e-19, 6.588951407324999e-19, 6.665743733392619e-19, 6.728180556819599e-19, 6.777111031221959e-19, 6.813512484346439e-19, 6.838394287472459e-19, 6.852717746580419e-19, 6.85731599352e-19, 6.85244537655264e-19, 6.836808132604799e-19, 6.80864186737908e-19, 6.76571955535422e-19, 6.70501308269196e-19, 6.622517007807299e-19, 6.513056300172419e-19, 6.37007805735426e-19, 6.185202895557e-19, 5.94758407896846e-19, 5.64339482323722e-19, 5.25507527245464e-19, 4.7614286297529e-19, 4.1389349421448797e-19, 3.34971875400282e-19, 2.2537818710478e-19, 4.1348974570271994e-20, -3.2024306560391995e-19, -1.018072700719254e-18, -2.2188544204266e-18, -3.9292741078196395e-18, -5.4375631910672394e-18, -3.5420921024472e-18, 1.31032413835056e-17, 8.271653438949839e-17, 3.3613345345993197e-16, 1.2549400964664479e-15, 4.86433643495472e-15]
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: 0.013126885530378038
Energy: 1.0035795217264174
Energy: 1.793725092798051
Energy: 0.013458078764601571
Energy: 1.003579398042741
Energy: 0.21540230371953928
Energy: 1.0032127641311257
Energy: 0.21540230371953928
Energy: 1.7937250927970814
Energy: 1.003212764134063
Energy: 1.3883702371461855
Energy: 1.003212764130156
Energy: 0.013458078764601571
Energy: 0.21540230371953928
Energy: 1.003212764130156
Energy: 0.21540230371953928

minimum gb energy = 0.013126885530378038 eV
minimum distance =  2.43815831280219 Angstroms
sigma value = 1


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

Energy: 2.168292762861823
Energy: 1.2143236383358706
Energy: 1.2140918199507766
Energy: 0.9526088735021596
Energy: 1.564736311010621
Energy: 0.9442289265940842
Energy: 0.9442267260379033
Energy: 0.9442289265928745
Energy: 1.8283759164254911
Energy: 0.944429759305464
Energy: 0.9495546766855503
Energy: 0.9444297593042541
Energy: 1.7453119705368922
Energy: 0.9512929277149297
Energy: 0.955587020988652
Energy: 0.9512929277161396
Energy: 1.6032969809845288
Energy: 0.9442415814372606
Energy: 1.0871067451918428
Energy: 0.9442415814456742
Energy: 1.7438790930293802
Energy: 0.9452150712765085
Energy: 1.212842610540862
Energy: 0.9452150712765085
Energy: 1.5653922985299604
Energy: 0.944255108434621
Energy: 1.2537160693657312
Energy: 0.944255108434621
Energy: 1.578269476728534
Energy: 0.9453552511808266
Energy: 1.2276665201126913
Energy: 0.9453552511808266
Energy: 1.4547993190471622
Energy: 0.9469990833159887
Energy: 1.2201585171237395
Energy: 0.9469990833123594
Energy: 1.5722257363790135
Energy: 1.0073033588598512
Energy: 1.5711099165079656
Energy: 1.0073033588538018
Energy: 1.5290016754107558
Energy: 0.9462977849273456
Energy: 1.537853670036096
Energy: 0.9462977849261359
Energy: 1.2248300336107614
Energy: 0.9435659907238728
Energy: 1.5829119150355702
Energy: 0.9435659907166141
Energy: 1.3517596820597952
Energy: 0.9441146759781692
Energy: 1.5678470293500626
Energy: 0.9441146759769594
Energy: 1.2136408337247955
Energy: 0.944590623701313
Energy: 1.7477208698141773
Energy: 0.9445906237025228
Energy: 1.2247403537767534
Energy: 0.9442615339485818
Energy: 1.6488331182889997
Energy: 0.9442615339401134
Energy: 0.9548991169086475
Energy: 0.9559398334902092
Energy: 1.832444030113839
Energy: 0.9559398334877898
Energy: 0.9445368343706129
Energy: 0.9446593525863796
Energy: 1.828804203276444
Energy: 0.9446593525863796
Energy: 0.9440384136742518
Energy: 0.9458877038957653
Energy: 1.5663544063538855
Energy: 0.9458877038885065
Energy: 0.9532330784826456
Energy: 0.948725794665112
Energy: 1.7513830161255275
Energy: 0.9487257945030538
Energy: 1.0359563435180175
Energy: 0.9443699174869671
Energy: 1.741975035680715
Energy: 0.9443699174881768
Energy: 1.063801539933127
Energy: 0.944277533011933
Energy: 1.7486941422001199
Energy: 0.9442775330107233
Energy: 1.062446201368916
Energy: 0.9555281290715326
Energy: 1.7589392311403251
Energy: 0.9555281290727424
Energy: 1.0492220178225555
Energy: 0.944840342593552
Energy: 1.6461123047710842
Energy: 0.9448403425923422
Energy: 1.4069853587873342
Energy: 0.9469828813105537
Energy: 1.7527060477216028
Energy: 0.9469828813105537
Energy: 1.417011847518279
Energy: 1.0116821065079478
Energy: 1.6210054932040725
Energy: 1.0116821065067378
Energy: 1.3959058760377865
Energy: 1.011986639638051
Energy: 1.3960439838266525
Energy: 1.011986639638051
Energy: 1.411317510166857
Energy: 1.0165982203928243
Energy: 1.4181045756544848
Energy: 1.016598220389195
Energy: 1.7443304255919072
Energy: 0.9518516924875052
Energy: 1.397879008640949
Energy: 0.9518516924887149
Energy: 1.6637578221435276
Energy: 0.9444354359846113
Energy: 1.431311372178197
Energy: 0.9444354359870311
Energy: 1.6738165259731446
Energy: 0.9458978805142437
Energy: 1.0398873735281748
Energy: 0.9458978804985164
Energy: 1.747418912202429
Energy: 0.9443628963650842
Energy: 1.0797006818622212
Energy: 0.9443629006688377
Energy: 1.5702724969426318
Energy: 0.9460661806760856
Energy: 1.0360080010101125
Energy: 0.9460661806736661
Energy: 1.8949014301051506
Energy: 0.9553673796850477
Energy: 1.0456700135251566
Energy: 0.9553673796753692

minimum gb energy = 0.9435659907166141 eV
minimum distance =  2.35117962970958 Angstroms
sigma value = 1


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

Energy: 2.425639848722873
Energy: 0.9840482490360748
Energy: 0.988105020225936
Energy: 0.9952315058859641
Energy: 1.572824159793761
Energy: 0.9849397070745052
Energy: 0.9907927881004182
Energy: 0.9849397070703672
Energy: 1.7703596243804005
Energy: 0.9850425652587238
Energy: 0.9885225241489276
Energy: 0.9850425652642414
Energy: 1.5785981533251694
Energy: 0.9846309137051716
Energy: 0.992761734041547
Energy: 0.984630913706551
Energy: 1.5759104705739944
Energy: 0.9932937810071352
Energy: 0.9855149378484195
Energy: 0.9932937810057557
Energy: 1.775571308556071
Energy: 0.9847468634700701
Energy: 1.1793157639632201
Energy: 0.9847468634714496
Energy: 1.5729028824004074
Energy: 1.0654670825857142
Energy: 1.203899681827336
Energy: 1.0654670825870936
Energy: 1.5737908646887786
Energy: 1.0664104528041605
Energy: 1.2031230807378825
Energy: 1.0664104528000224
Energy: 1.5783111210869971
Energy: 0.9844506136347473
Energy: 1.4259096571372032
Energy: 0.9840468866219777
Energy: 1.578282039555637
Energy: 1.064520782507461
Energy: 1.5841417510622429
Energy: 1.064520782507461
Energy: 1.4239194999494547
Energy: 0.984639260989828
Energy: 1.381289451576952
Energy: 0.9846392609912074
Energy: 1.2021231212558385
Energy: 0.9927279975834032
Energy: 1.3828146392877545
Energy: 0.9927279975792649
Energy: 1.212614974251031
Energy: 1.0655940119823322
Energy: 1.5778908124084252
Energy: 1.065594011985091
Energy: 1.1838054896305792
Energy: 0.9838615548767774
Energy: 1.570669576765993
Energy: 0.9838615548767774
Energy: 1.182954620953091
Energy: 0.9862177559261153
Energy: 1.7977716626305493
Energy: 0.9862177559302535
Energy: 0.9927366602924522
Energy: 0.9864512353491858
Energy: 1.7555915662041586
Energy: 0.986451235350565
Energy: 0.9844833205515515
Energy: 0.9833958850954116
Energy: 1.7591428532176872
Energy: 0.9833958850967912
Energy: 0.9838587150259313
Energy: 0.9848511407634928
Energy: 1.7596295287149106
Energy: 0.9848511407621132
Energy: 0.9944667160327261
Energy: 0.9920836309399289
Energy: 1.5713537646558675
Energy: 0.9920836309357908
Energy: 1.187788269255659
Energy: 0.9845480068927315
Energy: 1.8176862749607687
Energy: 0.9845480068734201
Energy: 1.203911582630325
Energy: 0.9845580410992172
Energy: 1.782048627538066
Energy: 0.9845580411005964
Energy: 1.2061996311943302
Energy: 1.0661963526659457
Energy: 1.5753487374890398
Energy: 1.0661963526659457
Energy: 1.1817875674138287
Energy: 0.9852954724401877
Energy: 1.5932936333697614
Energy: 0.9852954733418974
Energy: 1.5819660475882376
Energy: 1.065351564601161
Energy: 1.5756544495625213
Energy: 1.0653515645997815
Energy: 1.4047572939280066
Energy: 1.0470363928413722
Energy: 1.5725505812761744
Energy: 1.0470363928413722
Energy: 1.387513398110924
Energy: 0.9885902739777642
Energy: 1.1963578987015062
Energy: 0.9885902739722466
Energy: 1.5734046931642405
Energy: 1.0656721452081512
Energy: 1.309578693210144
Energy: 1.065672145115795
Energy: 1.576274185264608
Energy: 0.9857729523165162
Energy: 1.1942280558000355
Energy: 0.9857729523151368
Energy: 1.7563338359298932
Energy: 0.9837585018941274
Energy: 1.1979547190818889
Energy: 0.9837585018886098

minimum gb energy = 0.9833958850954116 eV
minimum distance =  2.36058027315211 Angstroms
sigma value = 25


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

Energy: 2.2958121387536172
Energy: 1.0582900107913507
Energy: 1.059581655756352
Energy: 1.044725569297065
Energy: 1.5338059159798503
Energy: 1.0542801209515542
Energy: 1.0526694461105706
Energy: 1.0542801209483472
Energy: 1.69540569110281
Energy: 1.0505942173392124
Energy: 1.0517119548219038
Energy: 1.0505942173424194
Energy: 1.5964391601700771
Energy: 1.0528288095360618
Energy: 1.0538325706116984
Energy: 1.0528288095360618
Energy: 1.6035837167776275
Energy: 1.054705825677954
Energy: 1.1804321832973432
Energy: 1.054705825693989
Energy: 1.7000724866262034
Energy: 1.0509413532771634
Energy: 1.369542282746512
Energy: 1.0509413532707859
Energy: 1.5317103775324274
Energy: 1.1209951803541591
Energy: 1.3993665821887027
Energy: 1.1209951803557625
Energy: 1.3701680434900683
Energy: 1.1220628676010687
Energy: 1.4019482201424984
Energy: 1.122062867599465
Energy: 1.4328712420638843
Energy: 1.1199423197615503
Energy: 1.3696384175828658
Energy: 1.1199423197615503
Energy: 1.3707694317308365
Energy: 1.0518725794152712
Energy: 1.6075415553480945
Energy: 1.0518725794168748
Energy: 1.3747723347811098
Energy: 1.0537109534849278
Energy: 1.7234481906559906
Energy: 1.0537109534865312
Energy: 1.0574651628818077
Energy: 1.0547157139768806
Energy: 1.7057709866306574
Energy: 1.0547157139784842
Energy: 1.0497221911093935
Energy: 1.0492846685961017
Energy: 1.6947690092546974
Energy: 1.0492846685961017
Energy: 1.0536881212502607
Energy: 1.0549253655257465
Energy: 1.7049002538030331
Energy: 1.054925365524143
Energy: 1.0540673706972787
Energy: 1.0528585659200806
Energy: 1.6206529970448926
Energy: 1.052858565918477
Energy: 1.1536520275728863
Energy: 1.0509728723243732
Energy: 1.5941645226589731
Energy: 1.0509728723243732
Energy: 1.189834728918727
Energy: 1.053352692711818
Energy: 1.6957603961526495
Energy: 1.0533526930179407
Energy: 1.1898809983931236
Energy: 1.053980336888732
Energy: 1.602997083834609
Energy: 1.0539803368871286
Energy: 1.1532502099780428
Energy: 1.051579695621835
Energy: 1.4153637785805269
Energy: 1.051579695621835
Energy: 1.6019454970238587
Energy: 1.1455631924679195
Energy: 1.602483352975707
Energy: 1.1455631924663159
Energy: 1.5129310892335361
Energy: 1.0656396793901708
Energy: 1.5965005095155151
Energy: 1.0656396793901708
Energy: 1.5184324056658962
Energy: 1.0577601472545732
Energy: 1.1780923331145707
Energy: 1.0577601472529696
Energy: 1.6001483479396745
Energy: 1.0539098296484681
Energy: 1.2440241988602936
Energy: 1.0539098296452973
Energy: 1.6958656343985934
Energy: 1.0657397546273564
Energy: 1.1533902864915708
Energy: 1.0657397546257528
Energy: 1.7054595820190774
Energy: 1.050102419468242
Energy: 1.154647271497713
Energy: 1.050102419468242

minimum gb energy = 1.044725569297065 eV
minimum distance =  2.35048918059765 Angstroms
sigma value = 9


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

Energy: 2.058855086385747
Energy: 1.095988477240431
Energy: 1.0972745719650618
Energy: 1.0818103450594363
Energy: 1.575632793834443
Energy: 1.0984110108429295
Energy: 1.0986138164170358
Energy: 1.098411010780609
Energy: 1.5762192294201824
Energy: 1.1014642609193683
Energy: 1.0971081423551339
Energy: 1.1014642609495828
Energy: 1.5753288213015906
Energy: 1.0987610593513952
Energy: 1.0970144941753264
Energy: 1.0987610593475694
Energy: 1.3700676444953497
Energy: 1.10300312753425
Energy: 1.0992786107260009
Energy: 1.1030031275327068
Energy: 1.5777771301165175
Energy: 1.1764163211464587
Energy: 1.3349265350749708
Energy: 1.176416321145502
Energy: 1.576066142316066
Energy: 1.169731265292373
Energy: 1.083067840623015
Energy: 1.1697312650663727
Energy: 1.3605287968388646
Energy: 1.2035757712749764
Energy: 1.3716889287728222
Energy: 1.2035757712743895
Energy: 1.3838525099366137
Energy: 1.1710597203578395
Energy: 1.5789703826350485
Energy: 1.171059720386902
Energy: 1.326548462065764
Energy: 1.098793527453163
Energy: 1.5769154998813069
Energy: 1.098793527451446
Energy: 1.3263620000417062
Energy: 1.108519382429217
Energy: 1.554848611588933
Energy: 1.1085193824229131
Energy: 1.098466321737544
Energy: 1.0977096455840885
Energy: 1.566003990941779
Energy: 1.0977096455852404
Energy: 1.0989295284589988
Energy: 1.0983725450825264
Energy: 1.5754091802257029
Energy: 1.0983725450857869
Energy: 1.0986348060810267
Energy: 1.107288165906538
Energy: 1.5825887697041874
Energy: 1.1072881659048208
Energy: 1.0958136303517538
Energy: 1.1017300212858612
Energy: 1.3698256251521048
Energy: 1.1017300212858612
Energy: 1.3284765196935402
Energy: 1.1738187270163574
Energy: 1.5751447265469245
Energy: 1.1738187270167486
Energy: 1.0834780825265415
Energy: 1.206132259337391
Energy: 1.5764738447514917
Energy: 1.2061322593341304
Energy: 1.0831641516492914
Energy: 1.2064182587754069
Energy: 1.3589273162715487
Energy: 1.206418258769103
Energy: 1.3313488940868632
Energy: 1.1700474044137057
Energy: 1.3707410185217874
Energy: 1.170047404408728
Energy: 1.5747824101787058
Energy: 1.2059109669883255
Energy: 1.3259121496946369
Energy: 1.2059109669904338
Energy: 1.5554403566294353
Energy: 1.1022002138902178
Energy: 1.3240644609300072
Energy: 1.1022002139361047

minimum gb energy = 1.0818103450594363 eV
minimum distance =  2.36644729236217 Angstroms
sigma value = 25


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

Energy: 1.8101219895399725
Energy: 1.1850512929537866
Energy: 1.1885921852172594
Energy: 1.148404674279257
Energy: 1.4330529246034944
Energy: 1.2008003283601567
Energy: 1.1910441421368256
Energy: 1.2008003283601567
Energy: 1.4335617448261262
Energy: 1.194531038347948
Energy: 1.1905308483890547
Energy: 1.194531028031782
Energy: 1.435785146130246
Energy: 1.1859627851112613
Energy: 1.189315779952727
Energy: 1.1859627848939733
Energy: 1.400353796701896
Energy: 1.1947448489967403
Energy: 1.437315033060006
Energy: 1.1947448489998318
Energy: 1.4356354636853064
Energy: 1.215835953329904
Energy: 1.4362987290148563
Energy: 1.2158359533303877
Energy: 1.4333365371271214
Energy: 1.1924139164037177
Energy: 1.5259511813079822
Energy: 1.1924139164027767
Energy: 1.1898975238449507
Energy: 1.1899824146250662
Energy: 1.387867123058859
Energy: 1.18998241462555
Energy: 1.1873307299744793
Energy: 1.1924199123311143
Energy: 1.4343060294019194
Energy: 1.192419912303453
Energy: 1.2006521913822326
Energy: 1.196851983941713
Energy: 1.4326386703516816
Energy: 1.1968519839414713
Energy: 1.182755119188425
Energy: 1.187475283637186
Energy: 1.5271052409581927
Energy: 1.1874752851445995
Energy: 1.3161833804071679
Energy: 1.1923812522761827
Energy: 1.4302251255745477
Energy: 1.1923812519467962
Energy: 1.3799770313442006
Energy: 1.1909856789457958
Energy: 1.4325466346982638
Energy: 1.1909856789472206
Energy: 1.3856117472013096
Energy: 1.3040354766049769
Energy: 1.3453181593553614
Energy: 1.304035476604278
Energy: 1.3120790680321501
Energy: 1.3069632381734617
Energy: 1.4005396205360081
Energy: 1.3069632381763112
Energy: 1.4325835009377879
Energy: 1.1904049368567478
Energy: 1.3490630685063139
Energy: 1.190404936855565
Energy: 1.4742853584409181
Energy: 1.1929869729543485
Energy: 1.3075181812259775
Energy: 1.1929869729881664

minimum gb energy = 1.148404674279257 eV
minimum distance =  2.34959195229729 Angstroms
sigma value = 17


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

Energy: 2.357681385931607
Energy: 1.2585516912973926
Energy: 1.2505911483834566
Energy: 1.2075842148801392
Energy: 1.3435198738775627
Energy: 1.2618795742111515
Energy: 1.2517512655510388
Energy: 1.2618795742098117
Energy: 1.3478929849147827
Energy: 1.2437746423470735
Energy: 1.2417138734742443
Energy: 1.2437746428331988
Energy: 1.4165493291216664
Energy: 1.2539647722994827
Energy: 1.2460263661015614
Energy: 1.2539647723008225
Energy: 1.4592076815236388
Energy: 1.2714923716446171
Energy: 1.3879219809696273
Energy: 1.2714923716446171
Energy: 1.4143036681931846
Energy: 1.2064305630514613
Energy: 1.3652271124440611
Energy: 1.2064305630501215
Energy: 1.3426906278948691
Energy: 1.2154115456620407
Energy: 1.3998230137155958
Energy: 1.2154115462044066
Energy: 1.1997243985895716
Energy: 1.201628707497569
Energy: 1.3807882866925705
Energy: 1.2016287075176655
Energy: 1.205241721584927
Energy: 1.2028328563360473
Energy: 1.3675455811981634
Energy: 1.2028328563360473
Energy: 1.2011197113331313
Energy: 1.2050309780145882
Energy: 1.3697654470129539
Energy: 1.205030978037334
Energy: 1.2063207824293598
Energy: 1.2052386063820324
Energy: 1.4614141562071106
Energy: 1.2052386063767038
Energy: 1.3689396863160037
Energy: 1.2038555146374401
Energy: 1.369438122859445
Energy: 1.2038555146361003
Energy: 1.3563592108426799
Energy: 1.200777027563523
Energy: 1.3693919998837525
Energy: 1.200777027564863
Energy: 1.3570900259132934
Energy: 1.204035153917989
Energy: 1.2040095415717558
Energy: 1.2040351539166494
Energy: 1.369852789917896
Energy: 1.203664745423947
Energy: 1.204414369139404
Energy: 1.2036647454266265
Energy: 1.3664577298157592
Energy: 1.2045519802933211
Energy: 1.2062812636986728
Energy: 1.204551980294661
Energy: 1.3664235298995528
Energy: 1.204548947042967
Energy: 1.2002340696640383
Energy: 1.2045489470402873
Energy: 1.3902507305770189
Energy: 1.2016518001133696
Energy: 1.3459990076481672
Energy: 1.2016517998254395
Energy: 1.3662483246623374
Energy: 1.205126549577102
Energy: 1.416421959559926
Energy: 1.2051265495784416
Energy: 1.257946913284097
Energy: 1.2697831036407399
Energy: 1.4596412444580709
Energy: 1.2697831036394003
Energy: 1.2425275041147281
Energy: 1.2414419855679033
Energy: 1.417986359461158
Energy: 1.241441985565224
Energy: 1.247529870064903
Energy: 1.2512155440157136
Energy: 1.3503094995462117
Energy: 1.251215544007675
Energy: 1.2439647800909
Energy: 1.2501222684469966
Energy: 1.3604430134033185
Energy: 1.2501222684469966
Energy: 1.3063411623381502
Energy: 1.264734245211873
Energy: 1.3643030455483018
Energy: 1.2647342452132129
Energy: 1.3099642688917381
Energy: 1.2510761564173403
Energy: 1.3436414820403992
Energy: 1.251076156425379
Energy: 1.3600731317403034
Energy: 1.241723465180309
Energy: 1.4151636967486871
Energy: 1.241723464864274
Energy: 1.3517276007479755
Energy: 1.3343196369190327
Energy: 1.3522752385353827
Energy: 1.3343196369190327
Energy: 1.3515704960288022
Energy: 1.2532321860393507
Energy: 1.3600048404867517
Energy: 1.253232186050069
Energy: 1.3454019396689474
Energy: 1.250088837394803
Energy: 1.307841249793445
Energy: 1.2500888373974826
Energy: 1.3760193119629938
Energy: 1.2557688954238406
Energy: 1.3067903865023176
Energy: 1.2557688968754883

minimum gb energy = 1.1997243985895716 eV
minimum distance =  2.3367292291181 Angstroms
sigma value = 53


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

Energy: 1.1883839267355514
Energy: 1.5722980780292406
Energy: 1.1839180978809027
Energy: 1.1882940470032688
Energy: 1.1897302654396462
Energy: 1.1816228776364153
Energy: 1.1933541557667526
Energy: 1.1816228765163588
Energy: 1.182555750088688
Energy: 1.1875405929798881
Energy: 1.1835049142476068
Energy: 1.1875405929789418
Energy: 1.189705793887099
Energy: 1.1887174003534042
Energy: 1.1840796645169545
Energy: 1.1887174003355288
Energy: 1.1868138291902335
Energy: 1.2356602586019474
Energy: 1.1913982034685826
Energy: 1.2356602585970404
Energy: 1.1896856248702772
Energy: 1.2584913947544931
Energy: 1.1899481061970754
Energy: 1.2584913947582081
Energy: 1.1880094848488738
Energy: 1.2373906785910347
Energy: 1.1739396469892946
Energy: 1.2373906786045992
Energy: 1.186776509388222
Energy: 1.19277580453013
Energy: 1.1718697629921648
Energy: 1.1927758045298147
Energy: 1.189412783576268
Energy: 1.189022341245914
Energy: 1.1872518728363508
Energy: 1.189022341479592
Energy: 1.1973166495740424
Energy: 1.2030283850332717
Energy: 1.19006873623128
Energy: 1.2030283867002483
Energy: 1.1977910517569956
Energy: 1.2390079550750415
Energy: 1.188079576974308
Energy: 1.2390079566029744
Energy: 1.1894632355040033
Energy: 1.2496671557516204
Energy: 1.1886278236007337
Energy: 1.2496671557522163
Energy: 1.171424355252306
Energy: 1.243251993038702
Energy: 1.1841332856925326
Energy: 1.2432519930356176

minimum gb energy = 1.171424355252306 eV
minimum distance =  2.3516859898998 Angstroms
sigma value = 9


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

Energy: 2.059503636575023
Energy: 1.3663099371661083
Energy: 1.6490714118051748
Energy: 1.3145529224600767
Energy: 1.3920075525757118
Energy: 1.3677722539234904
Energy: 1.379708146390263
Energy: 1.3677722539212074
Energy: 1.3717589524827112
Energy: 1.3515373596511087
Energy: 1.3602407661973872
Energy: 1.3515373596522502
Energy: 1.3623222565538051
Energy: 1.350306941467917
Energy: 1.35983208637288
Energy: 1.3503069414702003
Energy: 1.3609925310239608
Energy: 1.360116199431377
Energy: 1.3704083981440096
Energy: 1.360116199429094
Energy: 1.369119012823536
Energy: 1.3653677311180619
Energy: 1.3937795480608393
Energy: 1.3653677311169201
Energy: 1.357849986423446
Energy: 1.3678848112045885
Energy: 1.4452113665044146
Energy: 1.367884811203447
Energy: 1.4457650592011744
Energy: 1.3797541424991902
Energy: 1.4447792957819343
Energy: 1.3797541424991902
Energy: 1.4719918832819807
Energy: 1.2964859747951814
Energy: 1.3877334820354823
Energy: 1.2964859748065973
Energy: 1.419104054325355
Energy: 1.3030296900823364
Energy: 1.2992135445870512
Energy: 1.3030296900926108
Energy: 1.4705073520718124
Energy: 1.3332031692222814
Energy: 1.2965434830837277
Energy: 1.3332031628390486
Energy: 1.4365884656838335
Energy: 1.3143425635708468
Energy: 1.3050994453183902
Energy: 1.3143425635697052
Energy: 1.447134473036103
Energy: 1.3100430195515387
Energy: 1.304585083457573
Energy: 1.3100430195492554
Energy: 1.445425827860597
Energy: 1.2971446105210167
Energy: 1.4544175681318312
Energy: 1.2971446104251754
Energy: 1.4464632177912462
Energy: 1.3581574309125464
Energy: 1.4546343578135217
Energy: 1.3581574309148297
Energy: 1.364036790630467
Energy: 1.2835453158717192
Energy: 1.588309089444869
Energy: 1.283545316766308
Energy: 1.2766165408267525
Energy: 1.275974902742729
Energy: 1.5447694002741905
Energy: 1.275974902742729
Energy: 1.2814735629154848
Energy: 1.2830076795430276
Energy: 1.480276606854107
Energy: 1.2830076794973642
Energy: 1.275129012859471
Energy: 1.2918277528410935
Energy: 1.449431915511113
Energy: 1.2918277528365274
Energy: 1.2770538776160854
Energy: 1.2848552508815867
Energy: 1.4518580698707304
Energy: 1.2848552515480138
Energy: 1.4513547736688575
Energy: 1.2774795901808975
Energy: 1.4513496940784005
Energy: 1.277479590179756
Energy: 1.4448273865242145
Energy: 1.2826685236846187
Energy: 1.4505416189475075
Energy: 1.2826685238021502
Energy: 1.4456639994945486
Energy: 1.2861732623634052
Energy: 1.2855700903452094
Energy: 1.2861732623622635
Energy: 1.4532198669126204
Energy: 1.2968821493492984
Energy: 1.2779628040143292
Energy: 1.2968821493504399
Energy: 1.4565302144243903
Energy: 1.3070724451366837
Energy: 1.2753232772068612
Energy: 1.307072445135542
Energy: 1.493249218856291
Energy: 1.3182375846219851
Energy: 1.2824410568940126
Energy: 1.318237584636826
Energy: 1.4966655238709654
Energy: 1.310810503189058
Energy: 1.3747045582150272
Energy: 1.3108105031879165
Energy: 1.4605112857045621
Energy: 1.3007696611067103
Energy: 1.4504593044177516
Energy: 1.3007696611078519
Energy: 1.294770758972435
Energy: 1.3155662233569625
Energy: 1.4435257491140998
Energy: 1.315566223360387
Energy: 1.2997236051490775
Energy: 1.2996276944829337
Energy: 1.4471525626144606
Energy: 1.2996276944829337
Energy: 1.2947258027545527
Energy: 1.3130695933014007
Energy: 1.4707982773179051
Energy: 1.3130695933082501
Energy: 1.2961795260532722
Energy: 1.3206295498019973
Energy: 1.4759973471227588
Energy: 1.3206295498019973
Energy: 1.384230570421573
Energy: 1.3154019677407087
Energy: 1.4764156611139352
Energy: 1.3154019677441333
Energy: 1.4065764053413778
Energy: 1.3664966001552807
Energy: 1.4582753451255905
Energy: 1.3664966001552807
Energy: 1.44079660253977
Energy: 1.3751326494996992
Energy: 1.4362241821573984
Energy: 1.3751326494996992

minimum gb energy = 1.275129012859471 eV
minimum distance =  2.3249539335437 Angstroms
sigma value = 73


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

Energy: 1.973803142107886
Energy: 1.3903625471933623
Energy: 1.3912307952035843
Energy: 1.2985296740745707
Energy: 1.4098554463056998
Energy: 1.376536135407134
Energy: 1.3961181888061747
Energy: 1.3765361354069487
Energy: 1.387779698416568
Energy: 1.3651080119621137
Energy: 1.3850386654526905
Energy: 1.365108011962834
Energy: 1.3855955461219462
Energy: 1.367190603055458
Energy: 1.3881574282239475
Energy: 1.3671906030550873
Energy: 1.3877664765209212
Energy: 1.3702217443357056
Energy: 1.3871778885926342
Energy: 1.3702217443340796
Energy: 1.3860327102730439
Energy: 1.3770029115779492
Energy: 1.4086923498286603
Energy: 1.3770029115779492
Energy: 1.3910484958307214
Energy: 1.393974978229964
Energy: 1.5211058764277243
Energy: 1.3939749782321456
Energy: 1.5185048928660836
Energy: 1.388741211069952
Energy: 1.521045121162038
Energy: 1.3887412110460562
Energy: 1.5277197771251714
Energy: 1.2897963926231977
Energy: 1.407938285019331
Energy: 1.289796392621201
Energy: 1.4769548379592978
Energy: 1.2978964921046692
Energy: 1.295709934413342
Energy: 1.297896492114075
Energy: 1.5277231417757604
Energy: 1.2867224672500355
Energy: 1.2836435818052214
Energy: 1.2867224672502207
Energy: 1.510430822348075
Energy: 1.2977078074960597
Energy: 1.3010563980875072
Energy: 1.2977078074949895
Energy: 1.5193087882077507
Energy: 1.2903021242435304
Energy: 1.2874578474722076
Energy: 1.2903021242417398
Energy: 1.5183300169751686
Energy: 1.2971601694893855
Energy: 1.5269231637263685
Energy: 1.29716016948848
Energy: 1.531040718098707
Energy: 1.3302275493177187
Energy: 1.529881290562282
Energy: 1.3302275493191595
Energy: 1.4049557556898604
Energy: 1.2982813108013087
Energy: 1.5388888879650142
Energy: 1.2982813107899063
Energy: 1.2856460525256903
Energy: 1.2857225726947479
Energy: 1.5390241873223955
Energy: 1.285722572694933
Energy: 1.299273911898446
Energy: 1.2988270695982196
Energy: 1.5423081249355222
Energy: 1.2988270614540676
Energy: 1.283738716911476
Energy: 1.288454502261593
Energy: 1.527964290177023
Energy: 1.2884545022595966
Energy: 1.2937089145956635
Energy: 1.292012195775143
Energy: 1.5261766458435881
Energy: 1.2920121957966717
Energy: 1.4088617536458616
Energy: 1.2882951149550486
Energy: 1.5271939880023717
Energy: 1.2882951149541426
Energy: 1.5342672392310912
Energy: 1.3978605405973
Energy: 1.5163253023073902
Energy: 1.3978605405967441

minimum gb energy = 1.2836435818052214 eV
minimum distance =  2.3362954688627 Angstroms
sigma value = 7


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

Energy: 2.5071451546523527
Energy: 1.423098298944777
Energy: 1.670075891112111
Energy: 1.3574969717889078
Energy: 1.460203658427938
Energy: 1.359130303437336
Energy: 1.425552848786732
Energy: 1.3591303034386164
Energy: 1.417383647501406
Energy: 1.3587910211922951
Energy: 1.4269049962029423
Energy: 1.3587910211897336
Energy: 1.421805017010409
Energy: 1.3615811645233409
Energy: 1.4273463814881047
Energy: 1.361581164559172
Energy: 1.4272892719637498
Energy: 1.359590228780429
Energy: 1.4195486280325254
Energy: 1.359590228779148
Energy: 1.4168541165312658
Energy: 1.3582305614552492
Energy: 1.4439927844118239
Energy: 1.3582305614552492
Energy: 1.4196552658731916
Energy: 1.3706203474351262
Energy: 1.597382185514326
Energy: 1.3706203480995316
Energy: 1.5155501526842792
Energy: 1.358442539722505
Energy: 1.598614257825615
Energy: 1.3584425397212243
Energy: 1.505827978163574
Energy: 1.3464516784816287
Energy: 1.414757525747665
Energy: 1.3464516794430177
Energy: 1.5686576676423563
Energy: 1.3602236798590437
Energy: 1.3467422215775564
Energy: 1.360223249897656
Energy: 1.5028850068565627
Energy: 1.365624169852028
Energy: 1.3333421512406956
Energy: 1.3656241701925556
Energy: 1.49163757889525
Energy: 1.3583888466364766
Energy: 1.3509217881946265
Energy: 1.3583888465942127
Energy: 1.529365010515813
Energy: 1.3468839891065132
Energy: 1.3411591272804035
Energy: 1.3468839891090745
Energy: 1.5273952916056055
Energy: 1.3366693902102793
Energy: 1.5668384959467245
Energy: 1.3366693902089986
Energy: 1.5282598896409902
Energy: 1.2732326012481066
Energy: 1.5651048105401688
Energy: 1.2732326012468258
Energy: 1.3614886264630335
Energy: 1.2996702639931825
Energy: 1.5954683693920186
Energy: 1.299670263995715
Energy: 1.366252447807726
Energy: 1.271686830470789
Energy: 1.594634420441129
Energy: 1.2716868304695084
Energy: 1.430035772146794
Energy: 1.3736863132181396
Energy: 1.5271430896907447
Energy: 1.3736863132168589
Energy: 1.440232239826467
Energy: 1.3779630934442542
Energy: 1.4532839390469554
Energy: 1.3779630934442542
Energy: 1.3924421275442727
Energy: 1.3859798065701334
Energy: 1.4615718704217961
Energy: 1.3859798065688524
Energy: 1.3816779491118083
Energy: 1.3795463458741521
Energy: 1.4553789251274938
Energy: 1.3795463458728714
Energy: 1.5988619624946045
Energy: 1.4799970271096887
Energy: 1.4728343718538144
Energy: 1.4799970271096887
Energy: 1.5986265596439295
Energy: 1.4569495607806378
Energy: 1.526337673686857
Energy: 1.4569495607806378
Energy: 1.3828869896637048
Energy: 1.3148537505059634
Energy: 1.590656202235549
Energy: 1.3148537505059634
Energy: 1.3997683434144867
Energy: 1.3286166419432288
Energy: 1.5797621270155422
Energy: 1.328616642035412
Energy: 1.3002768505028834
Energy: 1.3008272249413741
Energy: 1.572366291522302
Energy: 1.300827224942655
Energy: 1.3235311329855985
Energy: 1.3182803938642003
Energy: 1.5750479767892012
Energy: 1.318280393865481
Energy: 1.3009275199049166
Energy: 1.3084981701460756
Energy: 1.6182456276789552
Energy: 1.3084981706235828
Energy: 1.3191366956685482
Energy: 1.3201468222460984
Energy: 1.6155774559204408
Energy: 1.320146822261467
Energy: 1.4608064609264602
Energy: 1.3129288512021287
Energy: 1.6029931296423048
Energy: 1.3129288511982864
Energy: 1.5251838978046188
Energy: 1.3740335595023274
Energy: 1.5949859349509845
Energy: 1.3740335595023274

minimum gb energy = 1.2716868304695084 eV
minimum distance =  2.33214351947417 Angstroms
sigma value = 29


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

Energy: 1.5856091711204947
Energy: 1.34967750936832
Energy: 1.3551930397550929
Energy: 1.167702387173
Energy: 1.3447849373389291
Energy: 1.228651072846061
Energy: 1.3451573790747382
Energy: 1.2286510728465072
Energy: 1.345158407763167
Energy: 1.228176191502549
Energy: 1.3597241147268686
Energy: 1.2281761915029954
Energy: 1.3570085985764033
Energy: 1.2265998427614584
Energy: 1.1369063160873363
Energy: 1.226599842761012
Energy: 1.3556395371010248
Energy: 1.227429841936115
Energy: 1.351826754195488
Energy: 1.2274298419339342
Energy: 1.3446774154519745
Energy: 1.2264274274068567
Energy: 1.344477932822492
Energy: 1.2264274274077245
Energy: 1.3488453942638248
Energy: 1.2323934185573695
Energy: 1.3581354233178757
Energy: 1.2323934184610092
Energy: 1.3529025840706355
Energy: 1.2336730514300205
Energy: 1.3451604995832125
Energy: 1.2336730514256584
Energy: 1.528038993536177
Energy: 1.2306407417234477
Energy: 1.3493900312326992
Energy: 1.2306407417247611

minimum gb energy = 1.1369063160873363 eV
minimum distance =  2.35931153284472 Angstroms
sigma value = 5


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

Energy: 1.844693914485963
Energy: 1.3598040144343921
Energy: 1.4540788455433005
Energy: 1.452720261356956
Energy: 1.2524011019261816
Energy: 1.293100755240895
Energy: 1.3575621169153183
Energy: 1.2931007552372655
Energy: 1.257970980807933
Energy: 1.2386891971582061
Energy: 1.5886746876254925
Energy: 1.2386891971582061
Energy: 1.2425386817399544
Energy: 1.2424269540116397
Energy: 1.5132282638015573
Energy: 1.2424269540116397
Energy: 1.2437857230745089
Energy: 1.2498506444025865
Energy: 1.2760686858194406
Energy: 1.249850644400167
Energy: 1.2606862158780086
Energy: 1.2587187131542545
Energy: 1.28080845410832
Energy: 1.2587187131554645
Energy: 1.259500190207981
Energy: 1.259919253218737
Energy: 1.4932276734954808
Energy: 1.2599192532175272
Energy: 1.246036083368492
Energy: 1.2550548438228368
Energy: 1.438302029171409
Energy: 1.2550548438228368
Energy: 1.2349524158727725
Energy: 1.2559273089322787
Energy: 1.3875720792052852
Energy: 1.2559273089322787
Energy: 1.368265083297701
Energy: 1.392041960240779
Energy: 1.4339598896757586
Energy: 1.3920419602431988
Energy: 1.368341101652813
Energy: 1.2566647303521379
Energy: 1.366062260938065
Energy: 1.2566647303497183
Energy: 1.3570568099661857
Energy: 1.2552474720542515
Energy: 1.4881514248887004
Energy: 1.2552474720542515
Energy: 1.389919447493056
Energy: 1.3170207395704674
Energy: 1.6712150581007121
Energy: 1.3170207395499007
Energy: 1.313708518373965
Energy: 1.2592534932129662
Energy: 1.2379349037698009
Energy: 1.2592534932093369
Energy: 1.4380326764110278
Energy: 1.2581281558551565
Energy: 1.257432557448114
Energy: 1.2581281558527366
Energy: 1.4468612303594552
Energy: 1.2608074277512717
Energy: 1.2554790624376835
Energy: 1.260807427750062
Energy: 1.2839663925254654
Energy: 1.2668556324623792
Energy: 1.259464274843448
Energy: 1.2668556324635891
Energy: 1.5969483439007732
Energy: 1.2443759970760007
Energy: 1.237829253875418
Energy: 1.2443759970747907
Energy: 1.3707061756946712
Energy: 1.2637806316931957
Energy: 1.2517016654892252
Energy: 1.2637806316944056
Energy: 1.5960437304706514
Energy: 1.2401208923246374
Energy: 1.2575171181627403
Energy: 1.2401208923294766
Energy: 1.4906476391232741
Energy: 1.282917376310692
Energy: 1.3471808774139746
Energy: 1.282917376309482
Energy: 1.523841283997555
Energy: 1.283453281803746
Energy: 1.4818608239884963
Energy: 1.2834532818025362
Energy: 1.3863639236190384
Energy: 1.2432821059638182
Energy: 1.2598087189506648
Energy: 1.2432821059710768
Energy: 1.4701247885538853
Energy: 1.288155881700761
Energy: 1.3608595385284568
Energy: 1.288155881700761
Energy: 1.6787951937532506
Energy: 1.2369690418279116
Energy: 1.2843927666466197
Energy: 1.236969041831541
Energy: 1.2535661736265624
Energy: 1.2873484671755444
Energy: 1.3113151252934963
Energy: 1.2873484671743347
Energy: 1.315999275347931
Energy: 1.287611629231831
Energy: 1.3373950466778133
Energy: 1.287611629233041
Energy: 1.3374194250272795
Energy: 1.279426412903085
Energy: 1.314136532062136
Energy: 1.2794264129042945
Energy: 1.2556371502232078
Energy: 1.2911811348295885
Energy: 1.2553217318587344
Energy: 1.2911811348295885
Energy: 1.2858478485125355
Energy: 1.2499142501667482
Energy: 1.3747141759901527
Energy: 1.2499142501679579
Energy: 1.3640692100541583
Energy: 1.2499609893024761
Energy: 1.6219178758487338
Energy: 1.2499609893714347
Energy: 1.2572988210842173
Energy: 1.2463472267007927
Energy: 1.3858686634800312
Energy: 1.2463472267007927
Energy: 1.475237317538857
Energy: 1.4559055559544862
Energy: 1.545812073592172
Energy: 1.4559055559544862

minimum gb energy = 1.2349524158727725 eV
minimum distance =  2.3413946819518 Angstroms
sigma value = 1


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

Energy: 1.8722580541476381
Energy: 1.2062800078036295
Energy: 1.5499113155726332
Energy: 1.2056194695863094
Energy: 1.2259652554597784
Energy: 1.2315238253669971
Energy: 1.2055573706978175
Energy: 1.2315238253669971
Energy: 1.2240128147160538
Energy: 1.2284643823821042
Energy: 1.2055583667053678
Energy: 1.2284643823804313
Energy: 1.2259824985914654
Energy: 1.2291756856550782
Energy: 1.25097270909904
Energy: 1.2291756856550782
Energy: 1.2258057104873117
Energy: 1.2201180822643487
Energy: 1.2065986144434055
Energy: 1.2201180822610032
Energy: 1.2260149482439426
Energy: 1.233160170378219
Energy: 1.2065462933520106
Energy: 1.2331601703765462
Energy: 1.2252456676707448
Energy: 1.2305966614697
Energy: 1.2052000636428506
Energy: 1.2305966614697
Energy: 1.223611516873723
Energy: 1.229434883305622
Energy: 1.205289838974577
Energy: 1.2294348833072948
Energy: 1.2268454041625243
Energy: 1.2320435292305172
Energy: 1.2054850086277675
Energy: 1.232043529223826
Energy: 1.2002264806170138
Energy: 1.2056688509672793
Energy: 1.2073949383165057
Energy: 1.2056688509672793
Energy: 1.225676247443989
Energy: 1.2906769495409702
Energy: 1.2255285697212417
Energy: 1.2906769495409702
Energy: 1.223777469086941
Energy: 1.229600658441657
Energy: 1.2107693610886812
Energy: 1.229600658441657
Energy: 1.211460846575405
Energy: 1.2303091073203793
Energy: 1.203662059749783
Energy: 1.230309107322052
Energy: 1.2045811432257623
Energy: 1.2385523223682602
Energy: 1.22588050307121
Energy: 1.2385523354751238
Energy: 1.1929442990231702
Energy: 1.2288110202000386
Energy: 1.2263292780918575
Energy: 1.2288110202000386
Energy: 1.1924246479081588
Energy: 1.2282547450209553
Energy: 1.2281279414393218
Energy: 1.2282547450209553
Energy: 1.2052007866786554
Energy: 1.217844184141591
Energy: 1.22670734193151
Energy: 1.2178441841399184
Energy: 1.2052915926902954
Energy: 1.2288781533374193
Energy: 1.2295896486051912
Energy: 1.228878153335747
Energy: 1.2066721505110916
Energy: 1.2363633015714741
Energy: 1.2249035611073347
Energy: 1.2363633015681283
Energy: 1.2047947549813933
Energy: 1.2318502380999736
Energy: 1.224656999011848
Energy: 1.2318502380999736
Energy: 1.209269658677667
Energy: 1.2289675580689192
Energy: 1.1940642981421
Energy: 1.2289675580672466
Energy: 1.4753196055999183
Energy: 1.228945681869199
Energy: 1.1923464477738515
Energy: 1.228945681869199
Energy: 1.225957945460929
Energy: 1.290307789832921
Energy: 1.2245173193486998
Energy: 1.290307789832921
Energy: 1.2346543518891175
Energy: 1.2307188028050815
Energy: 1.22474936011827
Energy: 1.2307188028050815

minimum gb energy = 1.1923464477738515 eV
minimum distance =  2.34775757790746 Angstroms
sigma value = 17


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

Energy: 1.9671181328098613
Energy: 1.6613734047564022
Energy: 1.6625273526594877
Energy: 1.436342350212848
Energy: 1.2969107577752388
Energy: 1.2534991138770255
Energy: 1.2379222491215909
Energy: 1.2534991138801272
Energy: 1.2373337799160464
Energy: 1.2260388133282243
Energy: 1.2419899372535184
Energy: 1.2260388133271907
Energy: 1.2305337044898663
Energy: 1.2296613556438496
Energy: 1.2403434487923855
Energy: 1.2296613556448832
Energy: 1.2369303258520208
Energy: 1.2550777930118646
Energy: 1.23588677566559
Energy: 1.2550777930149664
Energy: 1.2786418367024561
Energy: 1.2468913800850052
Energy: 1.2435365002460859
Energy: 1.2468913800819035
Energy: 1.2755234183678212
Energy: 1.2463819539169134
Energy: 1.3065193003583404
Energy: 1.2463819539127778
Energy: 1.237526016905746
Energy: 1.24770058024066
Energy: 1.2661536717153523
Energy: 1.2477005802396264
Energy: 1.245529447837532
Energy: 1.2272908984887447
Energy: 1.2294286761237063
Energy: 1.2272908984794866
Energy: 1.237313289888665
Energy: 1.2320944266834755
Energy: 1.2387253444360573
Energy: 1.2320944266834755
Energy: 1.2376608418578006
Energy: 1.2294136078576192
Energy: 1.2365692483493977
Energy: 1.2294136078607207
Energy: 1.2353714769586361
Energy: 1.2509690324375065
Energy: 1.2221959923728485
Energy: 1.2509690324395741
Energy: 1.5168806196149243
Energy: 1.2478840001602816
Energy: 1.222049300593287
Energy: 1.247884000156146
Energy: 1.2264580622485985
Energy: 1.258046248959606
Energy: 1.237384882301511
Energy: 1.258046248961674
Energy: 1.2396005155972685
Energy: 1.2287558756470167
Energy: 1.2472593031327406
Energy: 1.2287558756480506
Energy: 1.2150152151597933
Energy: 1.2265859623870718
Energy: 1.2332957422653785
Energy: 1.2265859623870718
Energy: 1.226383034006054
Energy: 1.2505589874094747
Energy: 1.2364375273397468
Energy: 1.2505589874125764
Energy: 1.230952667559581
Energy: 1.2495522367113003
Energy: 1.2360630849789447
Energy: 1.2495522367092327
Energy: 1.247181938188204
Energy: 1.2446659504976294
Energy: 1.2361462617905399
Energy: 1.244665950499697
Energy: 1.2264460612887096
Energy: 1.2463828985027359
Energy: 1.2398424666471233
Energy: 1.2463828985027359
Energy: 1.2250024660202141
Energy: 1.2267452472186855
Energy: 1.241003656080032
Energy: 1.2267452472186855
Energy: 1.2284534250003099
Energy: 1.232483099512261
Energy: 1.2399049236306534
Energy: 1.2324830995101932
Energy: 1.2388927174800684
Energy: 1.2321267476350473
Energy: 1.2384735135625315
Energy: 1.2321267476536573
Energy: 1.240151165603917
Energy: 1.227260500518644
Energy: 1.3992422620618492
Energy: 1.2272605005155424
Energy: 1.2332876320627988
Energy: 1.227092272395491
Energy: 1.2288342854121443
Energy: 1.2270922723965247
Energy: 1.2338786852489665
Energy: 1.2291270089340576
Energy: 1.256735846474989
Energy: 1.2291270089361253
Energy: 1.401980060251659
Energy: 1.2426556066168772
Energy: 1.2159523684052282
Energy: 1.2426556066292838
Energy: 1.2455873235446289
Energy: 1.2296141855625582
Energy: 1.2348513400219712
Energy: 1.229614185543995
Energy: 1.2405419275629075
Energy: 1.2283226905111024
Energy: 1.231483440106542
Energy: 1.2283226905100688
Energy: 1.2353480679520734
Energy: 1.2310018302364207
Energy: 1.2256552770292346
Energy: 1.2310018302374546
Energy: 1.2391769522081884
Energy: 1.2293476532401002
Energy: 1.226005757948737
Energy: 1.229347653241134
Energy: 1.235824629266945
Energy: 1.2503464234710313
Energy: 1.2338495788161212
Energy: 1.2503464234730992
Energy: 1.2354859968935266
Energy: 1.2478164659174116
Energy: 1.2390576443463432
Energy: 1.2478164659153437
Energy: 1.2366294516993814
Energy: 1.251735616784778
Energy: 1.2257966322456242
Energy: 1.2517356167816762
Energy: 1.2411373481640597
Energy: 1.2298231732703389
Energy: 1.225998636631958
Energy: 1.2298231732662033
Energy: 1.315391742461164
Energy: 1.2843763862985655
Energy: 1.2405995959893727
Energy: 1.2843763862985655
Energy: 1.23657503221452
Energy: 1.2296877569164795
Energy: 1.2257119087824138
Energy: 1.229687756918547
Energy: 1.2399650998714666
Energy: 1.2514633108199005
Energy: 1.2259918279535151
Energy: 1.2514633108188666

minimum gb energy = 1.2150152151597933 eV
minimum distance =  2.33160584799041 Angstroms
sigma value = 89


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

Energy: 2.022058282617979
Energy: 1.501428389137495
Energy: 1.5019242383310558
Energy: 1.2041679668554974
Energy: 1.1889522958243188
Energy: 1.1920891060820524
Energy: 1.176816486995048
Energy: 1.1920891060815297
Energy: 1.19170698650347
Energy: 1.1904803126739887
Energy: 1.1943833044290426
Energy: 1.190480312674542
Energy: 1.1863353156561596
Energy: 1.1920687701110275
Energy: 1.1944316404244966
Energy: 1.1920687701101975
Energy: 1.1856179459153544
Energy: 1.2010366964460644
Energy: 1.1790568060497753
Energy: 1.2010366964460644
Energy: 1.1866218550731449
Energy: 1.1948913867731052
Energy: 1.1897768046853363
Energy: 1.1948913867731052
Energy: 1.18696859098707
Energy: 1.193663188501298
Energy: 1.1895305158711014
Energy: 1.193663188501298
Energy: 1.1880826192065672
Energy: 1.201289553169607
Energy: 1.1878428925575883
Energy: 1.2012895531682546
Energy: 1.179419071490143
Energy: 1.1928404678039903
Energy: 1.183336248246767
Energy: 1.1928404678031603
Energy: 1.1788782590251143
Energy: 1.179525389396281
Energy: 1.1842150272712575
Energy: 1.1795253893960043
Energy: 1.180511093790824
Energy: 1.1890594800666012
Energy: 1.191024143197141
Energy: 1.1890594798056728
Energy: 1.1746295000569236
Energy: 1.18915407097094
Energy: 1.1680890462369313
Energy: 1.1891540709690342
Energy: 1.1883033189713075
Energy: 1.210020105170688
Energy: 1.1682793048308988
Energy: 1.2100201051682598
Energy: 1.1919015633997103
Energy: 1.3152724837111338
Energy: 1.1895216714664725
Energy: 1.3152724837111338
Energy: 1.1483043097641805
Energy: 1.191424559044838
Energy: 1.1891941383261728
Energy: 1.1914245590456372

minimum gb energy = 1.1483043097641805 eV
minimum distance =  2.34301940692862 Angstroms
sigma value = 13


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

Energy: 1.3183943014341868
Energy: 1.4616041517206788
Energy: 1.455965406929907
Energy: 1.1873604316371327
Energy: 1.182341291923958
Energy: 1.1805399684958835
Energy: 1.1890117006583902
Energy: 1.1805399684981512
Energy: 1.1813980341590544
Energy: 1.1748814759091248
Energy: 1.1796217357477905
Energy: 1.1748814759057233
Energy: 1.1758042863818274
Energy: 1.1744614838230472
Energy: 1.1808474352647453
Energy: 1.1744614838287164
Energy: 1.1847535246395098
Energy: 1.1962393409573129
Energy: 1.1691123000876191
Energy: 1.1962393409584466
Energy: 1.181371327419944
Energy: 1.1687494187782543
Energy: 1.1632834524243745
Energy: 1.1687494187782543
Energy: 1.1820307852215421
Energy: 1.1709146543811302
Energy: 1.186711112706275
Energy: 1.1709146543799962
Energy: 1.174948608656347
Energy: 1.1707137541045494
Energy: 1.1634245272004942
Energy: 1.1707137541034156
Energy: 1.201289701947756
Energy: 1.1762910566509026
Energy: 1.189632247930475
Energy: 1.1762910566509026
Energy: 1.2090767334957437
Energy: 1.1773614139517359
Energy: 1.168104978070083
Energy: 1.1773614139562714
Energy: 1.2006455213033935
Energy: 1.1783883995940851
Energy: 1.1640525299062716
Energy: 1.1783883995940851
Energy: 1.1991034216231444
Energy: 1.1908669810222325
Energy: 1.1418037734165014
Energy: 1.1908669810210988
Energy: 1.205841751303245
Energy: 1.189051365574211
Energy: 1.1450657688053252
Energy: 1.189051365576479
Energy: 1.2015191913857652
Energy: 1.2208686575872536
Energy: 1.1410500300944453
Energy: 1.2208686575872536
Energy: 1.1572749598425132
Energy: 1.1327732063779725
Energy: 1.1422668313305566
Energy: 1.132773206375705
Energy: 1.15857418440752
Energy: 1.132646749879589
Energy: 1.137647161912829
Energy: 1.1326467498773214
Energy: 1.1913767210332153
Energy: 1.1968859877842826
Energy: 1.1357124147222546
Energy: 1.1968859877854165
Energy: 1.195849170238794
Energy: 1.179092635212611
Energy: 1.1767529498125635
Energy: 1.1790926352160125
Energy: 1.1986092973455564
Energy: 1.180317597545158
Energy: 1.135831197846115
Energy: 1.180317597546292
Energy: 1.190507809471306
Energy: 1.1326603549845895
Energy: 1.1347230612580401
Energy: 1.132660354983456
Energy: 1.7238781280464652
Energy: 1.1487572920474565
Energy: 1.2509549139821596
Energy: 1.1487572962159414
Energy: 1.2010012074071796
Energy: 1.1330992629540817
Energy: 1.1505354935086507
Energy: 1.13309926295068
Energy: 1.1803898337652408
Energy: 1.1706296327834764
Energy: 1.1511193874100867
Energy: 1.1706296327857442
Energy: 1.1826940505619046
Energy: 1.1721615672035237
Energy: 1.1565543372184182
Energy: 1.1721615672035237
Energy: 1.1836792445773625
Energy: 1.1749276469712684
Energy: 1.1512249694727028
Energy: 1.1749276469724022
Energy: 1.196777091537509
Energy: 1.1773033021652186
Energy: 1.1849113554625346
Energy: 1.1773033021663522
Energy: 1.199683328977628
Energy: 1.177710370904557
Energy: 1.183194703013522
Energy: 1.177710370905691
Energy: 1.1792379078963873
Energy: 1.1757985251062095
Energy: 1.1926071015510677
Energy: 1.1757985251039418
Energy: 1.1791281466184047
Energy: 1.178543878597957
Energy: 1.1817527367643723
Energy: 1.1785438786024924
Energy: 1.171167857466023
Energy: 1.1783488938314532
Energy: 1.1840166635371894
Energy: 1.1783488938303195
Energy: 1.1777663983556763
Energy: 1.202614619996367
Energy: 1.1839683458964534
Energy: 1.202614619983895
Energy: 1.178255106640973
Energy: 1.174505733750145
Energy: 1.1586013801696322
Energy: 1.174505733750145
Energy: 1.1849836258121296
Energy: 1.1754538910846704
Energy: 1.158029003084693
Energy: 1.1754538910880719
Energy: 1.1807842220967992
Energy: 1.185171309932459
Energy: 1.1851932753155903
Energy: 1.1851713099426637
Energy: 1.1590588647989528
Energy: 1.1773649309624423
Energy: 1.1894137368132838
Energy: 1.1773649309647098

minimum gb energy = 1.1326467498773214 eV
minimum distance =  2.32841657376537 Angstroms
sigma value = 37


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

Energy: 1.4047571828706131
Energy: 1.3725120362708336
Energy: 1.3725800779246784
Energy: 1.1414921331421615
Energy: 1.1273820792201694
Energy: 1.1179205665022116
Energy: 1.1250676583685626
Energy: 1.1179205665029877
Energy: 1.1268636676075103
Energy: 1.1166313212239425
Energy: 1.135426942832913
Energy: 1.116631321224319
Energy: 1.1142125738851751
Energy: 1.1154495111292773
Energy: 1.1364839822918522
Energy: 1.1154495111283018
Energy: 1.1277632694095525
Energy: 1.149972058019757
Energy: 1.1132896288599001
Energy: 1.1499720580199342
Energy: 1.0991685236001467
Energy: 1.0926166105509214
Energy: 1.1103814474234508
Energy: 1.0926166105516972
Energy: 1.1015351433586902
Energy: 1.0915214444933883
Energy: 1.111183800340769
Energy: 1.0915214444926125
Energy: 1.1077538906426558
Energy: 1.0845090611862331
Energy: 1.1121066626699745
Energy: 1.0845090611850583
Energy: 1.1141788416042022
Energy: 1.0773844486142734
Energy: 1.1135824918953343
Energy: 1.077384448613675
Energy: 1.1148841463332544
Energy: 1.0768425420259777
Energy: 1.1141829930733131
Energy: 1.0768425420257781
Energy: 1.1131925493873993
Energy: 1.1263636423047416
Energy: 1.1754365096457238
Energy: 1.1263636423037662
Energy: 1.1116251066366267
Energy: 1.092028475024376
Energy: 1.1264038647006713
Energy: 1.092028475024775
Energy: 1.1098370341911543
Energy: 1.0923794532917488
Energy: 1.1269836893500653
Energy: 1.0923794532915494
Energy: 1.1129907120285891
Energy: 1.0939410188307104
Energy: 1.1259050969854483
Energy: 1.093941018830134
Energy: 1.1061174050832958
Energy: 1.1144954695838223
Energy: 1.1127738222536026
Energy: 1.1144954695840217
Energy: 1.12431288402748
Energy: 1.115197560581373
Energy: 1.1262815882469068
Energy: 1.1151975605819497
Energy: 1.1253714465925357
Energy: 1.1487898250587856
Energy: 1.1287493126113668
Energy: 1.1487898250578101
Energy: 1.122078156455963
Energy: 1.1228555429258804
Energy: 1.1148266992904285
Energy: 1.1228555413782533
Energy: 1.1259235851696594
Energy: 1.1166666898841247
Energy: 1.1156305984261659
Energy: 1.1166666898849007
Energy: 1.1006867251302141
Energy: 1.1184462450153472
Energy: 1.1263315267624225
Energy: 1.118446245015547

minimum gb energy = 1.0768425420257781 eV
minimum distance =  2.34335802713404 Angstroms
sigma value = 25


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

Energy: 1.2224991691041032
Energy: 1.242498111362672
Energy: 1.2426422224174565
Energy: 1.0575803912939705
Energy: 1.0355758463179159
Energy: 1.010184495346978
Energy: 1.0388174163111619
Energy: 1.0101845672456313
Energy: 1.0355516093772663
Energy: 1.037277550787025
Energy: 1.04140713877664
Energy: 1.0372775507855019
Energy: 1.0357504993842608
Energy: 1.0348203676005878
Energy: 1.0044854326988677
Energy: 1.0348203676036345
Energy: 1.0271123059102996
Energy: 1.0133615548699226
Energy: 1.0574957168597627
Energy: 1.0133615548683992
Energy: 1.0099128249955864
Energy: 1.0098816479208468
Energy: 1.0320744132676365
Energy: 1.0098816479208468
Energy: 1.0090047916747626
Energy: 1.0089559539492738
Energy: 1.0311094075022333
Energy: 1.0089559539507973
Energy: 1.0541156471774933
Energy: 1.0598818079477492
Energy: 1.031152613936277
Energy: 1.0598818079249002
Energy: 1.0509282235225317
Energy: 0.9868328160781401
Energy: 1.0309205254624503
Energy: 0.9868328160781401
Energy: 1.0524143342690133
Energy: 0.9864624521316884
Energy: 1.0615270418848064
Energy: 0.9864624521332117
Energy: 1.0555318647517553
Energy: 1.0400243599023964
Energy: 1.0929554041441303
Energy: 1.0400243599039194
Energy: 1.0557144962251064
Energy: 0.9748137605265019
Energy: 1.055390337085757
Energy: 0.9748137605280253
Energy: 1.0547673232600276
Energy: 0.9754081043880697
Energy: 1.054514090890779
Energy: 0.9754081043880697
Energy: 1.0924688065425994
Energy: 1.0221884673300863
Energy: 1.0522995680824836
Energy: 1.0221884673300863
Energy: 1.0301444394698775
Energy: 0.9866473983160046
Energy: 1.0509455618649948
Energy: 0.9866473983175277
Energy: 1.0440574417475956
Energy: 0.9863480617895357
Energy: 1.0500066428165973
Energy: 0.9863480617880125
Energy: 1.0411079639126553
Energy: 1.0144124623411095
Energy: 1.0545989100866995
Energy: 1.014412462339586
Energy: 1.0324591164693537
Energy: 1.0088587408921172
Energy: 1.0258054933992602
Energy: 1.0088587408936405
Energy: 1.0312973730228159
Energy: 1.0106925800544242
Energy: 1.027412250122713
Energy: 1.0106925800513777
Energy: 1.0324778763405014
Energy: 1.0132283234716688
Energy: 1.0355742654842923
Energy: 1.0132283234884247
Energy: 1.025433167628423
Energy: 1.0360510830196743
Energy: 1.0383850029088484
Energy: 1.0360510830151046
Energy: 1.0322803828763256
Energy: 1.0389250637713
Energy: 1.0362183239776772
Energy: 1.0389250637713
Energy: 1.0302013871174078
Energy: 1.0118450608869964
Energy: 1.0257999825615538
Energy: 1.0118450608869964
Energy: 1.0360719606597326
Energy: 1.0396071064985242
Energy: 1.0252509771259328
Energy: 1.0396071064893846
Energy: 1.0354411797545842
Energy: 1.0409905587609596
Energy: 1.0360905906836582
Energy: 1.0409905587624828
Energy: 1.045508091551806
Energy: 1.0361006483606667
Energy: 1.0365298431870764
Energy: 1.0361006483637136

minimum gb energy = 0.9748137605265019 eV
minimum distance =  2.34022045102321 Angstroms
sigma value = 41


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

Energy: 1.134648786530443
Energy: 1.1333669021289656
Energy: 1.1318405268759408
Energy: 0.9817330185513906
Energy: 0.9645294688126712
Energy: 0.9412845826935411
Energy: 0.9586244446226382
Energy: 0.9412845826972877
Energy: 0.9636338302500955
Energy: 0.9664028183198524
Energy: 0.9743508916963683
Energy: 0.9664028183211013
Energy: 0.9634882666386833
Energy: 0.9632061207542346
Energy: 0.940202390172223
Energy: 0.9632061207567323
Energy: 0.9570640403143877
Energy: 0.9446169179577919
Energy: 0.9575239422428727
Energy: 0.9446169179577919
Energy: 0.9641337804610998
Energy: 0.9397690421183534
Energy: 0.9598531900069871
Energy: 0.9397690421183534
Energy: 0.9419595113016203
Energy: 0.9398863453509673
Energy: 0.9584017393931529
Energy: 0.9398863453497184
Energy: 0.9782156428078037
Energy: 0.9916214729798981
Energy: 0.9596787359356205
Energy: 0.9916214729811471
Energy: 0.9770473059084149
Energy: 0.9172340253003625
Energy: 0.9688596270933457
Energy: 0.9172340253003625
Energy: 0.9782679186771789
Energy: 0.9173597101120436
Energy: 0.9698781709569236
Energy: 0.9173597101107948
Energy: 0.9876735271671572
Energy: 0.8985262769317545
Energy: 0.997208085804276
Energy: 0.8985262769330034
Energy: 0.9840074138765514
Energy: 0.8989375944921737
Energy: 0.9951982153120957
Energy: 0.8989375944909249
Energy: 0.9917348392865802
Energy: 0.8982608624329003
Energy: 0.9949453097972086
Energy: 0.8982608624329003
Energy: 1.0164807612496556
Energy: 0.8938585656803496
Energy: 0.9950361997429567
Energy: 0.8938585656791008
Energy: 0.9933130507730171
Energy: 0.891823125889304
Energy: 0.9932072673724884
Energy: 0.891823125889304
Energy: 0.993311489068169
Energy: 0.8928420516458555
Energy: 1.0202487565821563
Energy: 0.8928420516446066
Energy: 0.9909167598697299
Energy: 0.8990529550581434
Energy: 1.0177667407007398
Energy: 0.8990529550593923
Energy: 0.9909894116968588
Energy: 0.8995034497559545
Energy: 0.982006605562615
Energy: 0.8995034497559545
Energy: 0.9904034261882573
Energy: 0.8988134135537402
Energy: 0.9795959877557786
Energy: 0.8988134135537402
Energy: 0.9929265645500218
Energy: 0.9175473538989304
Energy: 0.9779728247283048
Energy: 0.9175473539014279
Energy: 0.979123585993206
Energy: 0.9167612536084363
Energy: 0.9782604486656137
Energy: 0.9167612536071875
Energy: 0.9602015634160446
Energy: 0.9176273143423398
Energy: 0.9773999748883336
Energy: 0.9176273143385933
Energy: 0.9611133568055509
Energy: 0.941928256704454
Energy: 0.9801800481323559
Energy: 0.9419282567032052
Energy: 0.9620177019934446
Energy: 0.9391593627375986
Energy: 0.9587580130193254
Energy: 0.9391593627375986
Energy: 0.9591380647385147
Energy: 0.9401931575587694
Energy: 0.9597810599589629
Energy: 0.9401931575562719
Energy: 0.9765463273268614
Energy: 0.9586077754152174
Energy: 0.9673899296658163
Energy: 0.9586077754152174
Energy: 0.9575481972490347
Energy: 0.9636568826254278
Energy: 0.9731273014848483
Energy: 0.9636568826591464
Energy: 0.9602256869628789
Energy: 1.0170608409181041
Energy: 0.9633781312349567
Energy: 1.0170608409156061
Energy: 0.9634088952155593
Energy: 0.9399410688292866
Energy: 0.9598825845998257
Energy: 0.9399410688280376
Energy: 0.9636574433921652
Energy: 0.9642347894792213
Energy: 0.9558851224458798
Energy: 0.96423478948047
Energy: 0.9637768385795281
Energy: 0.9632073195225286
Energy: 0.9635278705497673
Energy: 0.9632073195225286
Energy: 0.9664769556591634
Energy: 0.9635719001063651
Energy: 0.9694802897029458
Energy: 0.9635719001101116

minimum gb energy = 0.891823125889304 eV
minimum distance =  2.33926424234325 Angstroms
sigma value = 15


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

Energy: 1.0196921056074342
Energy: 1.0478572206437438
Energy: 1.043659339795286
Energy: 0.9170952810055297
Energy: 0.9040614674465767
Energy: 0.8800881529483454
Energy: 0.901319561450109
Energy: 0.8800881529515191
Energy: 0.9019613447722468
Energy: 0.902825348126166
Energy: 0.912837142257886
Energy: 0.9028253481198183
Energy: 0.9008678043853674
Energy: 0.9012232150583191
Energy: 0.8827672974372102
Energy: 0.9012232168264244
Energy: 0.8970100290687157
Energy: 0.8848626011164127
Energy: 0.8974674449151813
Energy: 0.8848626011185285
Energy: 0.9214960097848262
Energy: 0.8812595976864949
Energy: 0.9049366750951777
Energy: 0.8812595976833208
Energy: 0.904331324714132
Energy: 0.880512910699129
Energy: 0.8945215487249512
Energy: 0.8805129106938392
Energy: 0.9110460736348692
Energy: 0.9322648876668874
Energy: 0.9272330636129598
Energy: 0.9322648877218522
Energy: 0.9129415050954857
Energy: 0.8603747201119477
Energy: 0.9122947383083602
Energy: 0.8603747201373384
Energy: 0.911643690920475
Energy: 0.8597199782374715
Energy: 0.9188999256981581
Energy: 0.8597199782374715
Energy: 0.9267556805786136
Energy: 0.83944134711732
Energy: 0.9341711985780369
Energy: 0.8394413471215518
Energy: 0.9225186008876474
Energy: 0.8458161270624275
Energy: 0.9247542063970844
Energy: 0.8458161270613695
Energy: 0.9278835523737701
Energy: 0.8416040971114179
Energy: 0.9246232044349026
Energy: 0.8416040971114179
Energy: 0.9370596207025705
Energy: 0.8295315716805897
Energy: 0.9271514124285921
Energy: 0.8295315716837635
Energy: 0.9443559179159767
Energy: 0.8288547006076372
Energy: 0.9275745785012819
Energy: 0.8288547006065794
Energy: 0.9390494597846528
Energy: 0.8299565818959226
Energy: 0.9444374555238623
Energy: 0.8299565818959226
Energy: 0.9506118666405838
Energy: 0.8251449065200788
Energy: 0.9591222283699368
Energy: 0.8251449065211368
Energy: 0.9373444625109504
Energy: 0.8240229369298526
Energy: 0.9378504398472084
Energy: 0.8240229369277366
Energy: 0.9523208137688935
Energy: 0.8254507639436425
Energy: 0.9505831624580533
Energy: 0.8254507639436425
Energy: 0.9676312320470176
Energy: 0.8291868090605617
Energy: 0.937244642890454
Energy: 0.8291868090626776
Energy: 0.9277077145822552
Energy: 0.8291778747113511
Energy: 0.9472468531246986
Energy: 0.8291778747113511
Energy: 0.9273488587913464
Energy: 0.8305958949909021
Energy: 0.9447145325667602
Energy: 0.8305958949919601
Energy: 0.9231804574347424
Energy: 0.8412494791991739
Energy: 0.9450529056903403
Energy: 0.841249479200232
Energy: 0.9254937535190718
Energy: 0.8401180719316372
Energy: 0.9182299762080578
Energy: 0.8401180719284633
Energy: 0.9331245618454796
Energy: 0.83986045114107
Energy: 0.9301475354499733
Energy: 0.8398604511400123
Energy: 0.9284274244117517
Energy: 0.859288662175759
Energy: 0.9111724602968119
Energy: 0.8592886621778749
Energy: 0.914184955080699
Energy: 0.8594929595803684
Energy: 0.9121800014101071
Energy: 0.8594929595708468
Energy: 0.8974278974327256
Energy: 0.8624781574177454
Energy: 0.9127213623042577
Energy: 0.8624781574156295
Energy: 0.8960878916695045
Energy: 0.8807955931912927
Energy: 0.898795974234573
Energy: 0.8807955931944665
Energy: 0.9069320292615716
Energy: 0.8806522585359937
Energy: 0.9169020687151667
Energy: 0.8806522585338779
Energy: 0.8980084363992441
Energy: 0.9014362279994407
Energy: 0.9126832960334194
Energy: 0.9014362279994407
Energy: 0.8977720980631145
Energy: 0.9020014293139508
Energy: 0.9009007358306697
Energy: 0.9020014293181825
Energy: 0.91375778906425
Energy: 0.9041761545870051
Energy: 0.9009315017809568
Energy: 0.9041761545901787
Energy: 0.9013461371026052
Energy: 0.8802672015447194
Energy: 0.9364986349710368
Energy: 0.8802672015457774
Energy: 0.9035308924189838
Energy: 0.9026594100490224
Energy: 0.8930708864364085
Energy: 0.9026594100246896
Energy: 0.901720269502033
Energy: 0.8854782497339578
Energy: 0.8981899459003102
Energy: 0.885478249730784
Energy: 0.9133059717677466
Energy: 0.9058325399803944
Energy: 0.9016358816441342
Energy: 0.905832539984626

minimum gb energy = 0.8240229369277366 eV
minimum distance =  2.33972772045388 Angstroms
sigma value = 85


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

Energy: 0.9729121851007828
Energy: 0.9105642494702428
Energy: 0.9103513724365974
Energy: 0.7890741549394602
Energy: 0.7945691458287157
Energy: 0.7849405787380016
Energy: 0.8000111535083169
Energy: 0.7849405787389191
Energy: 0.7936532757985877
Energy: 0.7871086237099272
Energy: 0.7961514900215984
Energy: 0.7871086237108449
Energy: 0.7936098428930131
Energy: 0.7878736718684239
Energy: 0.7878460997735102
Energy: 0.7878736718702591
Energy: 0.801404387613587
Energy: 0.7870511261808302
Energy: 0.8067621039935425
Energy: 0.7870511261817476
Energy: 0.8239533698372894
Energy: 0.7921434116097662
Energy: 0.800355103018477
Energy: 0.7921434116106837
Energy: 0.7909214205113254
Energy: 0.7839014807730614
Energy: 0.7982500218089479
Energy: 0.783901480773979
Energy: 0.8264471981686105
Energy: 0.7934899738949617
Energy: 0.8289872151511756
Energy: 0.7934899690359152
Energy: 0.8273847755424166
Energy: 0.7716783101204449
Energy: 0.8301134617295995
Energy: 0.7716783101213625
Energy: 0.8235485568681846
Energy: 0.7716125709449899
Energy: 0.8503683104106012
Energy: 0.7716125709440725
Energy: 0.8264176784392621
Energy: 0.7629203917171296
Energy: 0.8443920830720066
Energy: 0.7629203917152944
Energy: 0.8309781676652286
Energy: 0.7602270479105198
Energy: 0.84350316646546
Energy: 0.7602270479086847
Energy: 0.8676341224977149
Energy: 0.7609484485220769
Energy: 0.8436677336160734
Energy: 0.7609484485220769
Energy: 0.863497870633382
Energy: 0.7562550572040916
Energy: 0.8449681418207432
Energy: 0.7562550572040916
Energy: 0.8628591976647223
Energy: 0.7551337548304428
Energy: 0.8494082302565595
Energy: 0.755133754829525
Energy: 0.8629791688584443
Energy: 0.7552280727037315
Energy: 0.8853045078155821
Energy: 0.7552280727037315
Energy: 0.8632362031196704
Energy: 0.7531915667821877
Energy: 0.8794460780376299
Energy: 0.7531915667803527
Energy: 0.862857604651958
Energy: 0.7527640641643449
Energy: 0.8785606713042715
Energy: 0.7527640641652624
Energy: 0.9015855507511865
Energy: 0.7532468924495617
Energy: 0.8790314080299997
Energy: 0.753246892446809
Energy: 0.8893961556768991
Energy: 0.7519477472063595
Energy: 0.8866458101325456
Energy: 0.751947747207277
Energy: 0.8867449372200186
Energy: 0.7517547962274534
Energy: 0.8864328201634415
Energy: 0.7517547962283712
Energy: 0.8891286267677343
Energy: 0.7529883470519108
Energy: 0.8908014893804418
Energy: 0.7529883470509932
Energy: 0.877968427919277
Energy: 0.7523297485907005
Energy: 0.8904661224471087
Energy: 0.7523297485897829
Energy: 0.8780580608662621
Energy: 0.7530748639314057
Energy: 0.8625647850799786
Energy: 0.7530748639304883
Energy: 0.8806428365192489
Energy: 0.7546355891210881
Energy: 0.8645497437356158
Energy: 0.7546355891201706
Energy: 0.8854376570109606
Energy: 0.7546235888900256
Energy: 0.8625119244215063
Energy: 0.7546235888900256
Energy: 0.8468641489372297
Energy: 0.7546600823480191
Energy: 0.8637908141603162
Energy: 0.7546600823480191
Energy: 0.8462155371675856
Energy: 0.8142282522031313
Energy: 0.8692850059972728
Energy: 0.8142282522012962
Energy: 0.8480168352124987
Energy: 0.7602560825167128
Energy: 0.8676955074603436
Energy: 0.7602560825176303
Energy: 0.8460858332269929
Energy: 0.7601651316749185
Energy: 0.8447816916582238
Energy: 0.7601651316749185
Energy: 0.8439111986085842
Energy: 0.7750375478652924
Energy: 0.8243619891269273
Energy: 0.7750375478680452
Energy: 0.810909741342208
Energy: 0.7718720291618477
Energy: 0.8247820743424561
Energy: 0.7718720291627651
Energy: 0.8452484984801563
Energy: 0.772433937334932
Energy: 0.8226481928014128
Energy: 0.772433937334932
Energy: 0.8015734121229063
Energy: 0.7862268894202324
Energy: 0.827124892660643
Energy: 0.7862268894193148
Energy: 0.7976287359403614
Energy: 0.7840808230203297
Energy: 0.8053828238173751
Energy: 0.7840808230203297
Energy: 0.8007610760592502
Energy: 0.7845933517116052
Energy: 0.8241647977171591
Energy: 0.7845933517106876
Energy: 0.8112669640106058
Energy: 0.7850957529881876
Energy: 0.8249791357111005
Energy: 0.7850957529982807
Energy: 0.7737153622034225
Energy: 0.7931644704347013
Energy: 0.7972462470473947
Energy: 0.7931644704319486
Energy: 0.8009648008147144
Energy: 0.8029677987048229
Energy: 0.7934866823876516
Energy: 0.802967798706658
Energy: 0.8003147826200375
Energy: 0.7844972130845992
Energy: 0.8038527678226756
Energy: 0.7844972130836817
Energy: 0.7927662791249114
Energy: 0.7929527182028305
Energy: 0.7753227509792905
Energy: 0.7929527182074183
Energy: 0.7937118596735514
Energy: 0.7850967974526087
Energy: 0.7938839867545572
Energy: 0.7850967974571964
Energy: 0.7936327443096325
Energy: 0.7940240776665621
Energy: 0.7928637880771715
Energy: 0.7940240776656448

minimum gb energy = 0.7517547962274534 eV
minimum distance =  2.33163520084239 Angstroms
sigma value = 113


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

Energy: 0.014851375636382601
Energy: 0.10284941261922342
Energy: 0.7119373844385244
Energy: 0.014978850496506229
Energy: 0.697142707017847
Energy: 0.10325608185872444
Energy: 0.0912832390532366
Energy: 0.1032560825398346
Energy: 0.09441668292487665
Energy: 0.1033044407754835
Energy: 0.01567453160031289
Energy: 0.10330444077477814
Energy: 0.08835131659884463
Energy: 0.1039450822793365
Energy: 0.01649871760054669
Energy: 0.10394508227040186
Energy: 0.0892693749225678
Energy: 1.7400493669693975
Energy: 0.09111344279138767
Energy: 1.7402080907778215
Energy: 0.015328887145174039
Energy: 0.10331590993253116
Energy: 0.0885008152503162
Energy: 0.10331590888122093

minimum gb energy = 0.014851375636382601 eV
minimum distance =  2.45751341217352 Angstroms
sigma value = 1