Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.860195450484753
cohesive_energy=4.280338510564498
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013217560028891509
Energy: 0.01365389478372385
Energy: 3.009305999167298
Energy: 0.01365389478372385
Energy: 0.01365389478372385
Energy: 0.01380552182375508
Energy: 0.4405270214249333
Energy: 0.01380552182375508
Energy: 3.009305999167298
Energy: 0.4405270214249333
Energy: 0.44047318155339243
Energy: 0.4405270214249333
Energy: 0.01365389478372385
Energy: 0.01380552182375508
Energy: 0.4405270214249333
Energy: 0.01380552182375508

minimum gb energy = 0.013217560028891509 eV
minimum distance =  2.47403300035242 Angstroms
sigma value = 1


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

Energy: 1.5270865915468386
Energy: 1.7255330942709457
Energy: 2.541026218693039
Energy: 1.7255330942721607
Energy: 1.6996600484733821
Energy: 1.363002261994621
Energy: 1.134214662156066
Energy: 1.3630022620006965
Energy: 1.759363734991445
Energy: 1.0103848372879145
Energy: 0.996368873698667
Energy: 1.0103848372891295
Energy: 1.5471005650163545
Energy: 1.3914928395740984
Energy: 1.0156890933734728
Energy: 1.3914928395716684
Energy: 1.5076098722504485
Energy: 1.4209381036419964
Energy: 1.394378683386781
Energy: 1.4209381036432114
Energy: 1.7099975144383426
Energy: 1.2912263211299717
Energy: 1.0393635012963929
Energy: 1.2912263211299717
Energy: 1.238908933093384
Energy: 1.396210768472511
Energy: 1.0518745188611647
Energy: 1.3962107684712959
Energy: 1.1384840072332858
Energy: 1.2309785362590704
Energy: 1.4377581215069954
Energy: 1.2309785362602854
Energy: 1.276991540189299
Energy: 1.4705259222025369
Energy: 1.5404914925642512
Energy: 1.4705259222025369
Energy: 1.6551115520601383
Energy: 1.511984008841254
Energy: 1.2866108874099107
Energy: 1.511984008841254
Energy: 1.0544713356189608
Energy: 1.49055051711455
Energy: 1.501226360876789
Energy: 1.49055051711455
Energy: 0.9995734417801072
Energy: 0.9901284046996469
Energy: 2.063913824678358
Energy: 0.9901284046984317
Energy: 1.2119471366129961
Energy: 1.4879445250449674
Energy: 1.5254910111452495
Energy: 1.487944525032816
Energy: 0.9975591181765792
Energy: 1.455786588886315
Energy: 1.5096517518005161
Energy: 1.455786588886315
Energy: 1.0161554800959662
Energy: 1.3403396464557005
Energy: 1.73035089485461
Energy: 1.3403396464557005
Energy: 1.0161309479939744
Energy: 1.3404016106545704
Energy: 1.7119965556822616
Energy: 1.3404016106521401
Energy: 0.9972588885916274
Energy: 1.4536924925353671
Energy: 1.5256025987376451
Energy: 1.453692492534152
Energy: 1.3367118499670596
Energy: 1.4888386420898014
Energy: 1.6082144567896226
Energy: 1.4888386421019528
Energy: 0.9985820563418711
Energy: 0.9879851865448481
Energy: 1.7705303251395736
Energy: 0.9879851865436329
Energy: 1.0012097900504853
Energy: 1.48610416041401
Energy: 1.2882118729468623
Energy: 1.48610416041401
Energy: 1.7854617265163808
Energy: 1.3799465196567453
Energy: 1.302298482825756
Energy: 1.3799465196567453
Energy: 1.2863192209793362
Energy: 1.3006393167128683
Energy: 1.5407463676586315
Energy: 1.300639316710438
Energy: 1.1616110652292866
Energy: 1.1934682242910994
Energy: 1.2534657694345506
Energy: 1.1934682242923145
Energy: 1.4143850751861726
Energy: 1.3810629493212283
Energy: 1.0487040998036259
Energy: 1.381062949318798
Energy: 1.5987337306514022
Energy: 1.2911890519096476
Energy: 1.0342205924408812
Energy: 1.2911890519084328
Energy: 1.5309959858070503
Energy: 1.4310864262362148
Energy: 1.4690727769259047
Energy: 1.431086426243506
Energy: 1.523956514932296
Energy: 1.4425294375843873
Energy: 1.0136037783617367
Energy: 1.4425294375831725
Energy: 1.8077151785380459
Energy: 1.007592451077118
Energy: 0.996814813895327
Energy: 1.007592451075903
Energy: 1.8261375246189944
Energy: 1.3563199428326167
Energy: 1.1343156985368736
Energy: 1.3563199428338317
Energy: 1.5119950719863353
Energy: 1.5847802108409363
Energy: 1.0288173437558603
Energy: 1.5847802108409363
Energy: 1.752634993703615
Energy: 1.3648382154759873
Energy: 1.13374486621345
Energy: 1.364838215473557
Energy: 1.6121928451507497
Energy: 1.2536430794866391
Energy: 0.9972649233005497
Energy: 1.2536430794878541
Energy: 1.5078688427992961
Energy: 1.4160374208598554
Energy: 1.0175344029633362
Energy: 1.4160374208610707

minimum gb energy = 0.9879851865436329 eV
minimum distance =  2.26663942718727 Angstroms
sigma value = 1


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

Energy: 1.6290676578831598
Energy: 1.5888192697399723
Energy: 2.5989194985368007
Energy: 1.5888192697385866
Energy: 1.8361503332535085
Energy: 1.567465202719066
Energy: 1.0938094762143347
Energy: 1.567465202719066
Energy: 1.4792693403220243
Energy: 1.0700531007690537
Energy: 1.0956150543583205
Energy: 1.0700531007690537
Energy: 1.1525530870825837
Energy: 1.3556525145618228
Energy: 1.0915932161831643
Energy: 1.3556525145618228
Energy: 1.152919520872694
Energy: 1.3466216217574287
Energy: 1.5335256250238236
Energy: 1.3466216217560434
Energy: 1.6249551384473744
Energy: 1.0319095837745422
Energy: 1.0294342387610125
Energy: 1.0319095837745422
Energy: 1.0297514152035923
Energy: 1.5036833003039574
Energy: 1.0293260531562793
Energy: 1.5036833003039574
Energy: 1.0282029369122216
Energy: 1.0324073924104795
Energy: 1.5901744280129686
Energy: 1.0324073924104795
Energy: 1.1837893214454536
Energy: 1.3205550893578846
Energy: 1.4806446935489916
Energy: 1.3205550893578846
Energy: 1.7351944136427875
Energy: 1.0147432087967359
Energy: 1.0147812172345412
Energy: 1.0147432087967359
Energy: 1.1850111764834979
Energy: 1.442320038923
Energy: 1.4809894298076536
Energy: 1.442320038923
Energy: 1.0713221936289679
Energy: 1.2022208080567938
Energy: 1.8903079309521529
Energy: 1.2022208080567938
Energy: 1.091731011074444
Energy: 1.579756247881241
Energy: 1.6325075965457228
Energy: 1.5797562478826264
Energy: 1.0917310110757978
Energy: 1.5479221592693748
Energy: 1.6324726745660818
Energy: 1.5479221592693748
Energy: 1.0711783530869405
Energy: 1.202156215084173
Energy: 1.890207863392147
Energy: 1.202156215084173
Energy: 1.1849657033334662
Energy: 1.4422848845228162
Energy: 1.480919146650703
Energy: 1.4422848845228162
Energy: 1.735194413644173
Energy: 1.014917686220927
Energy: 1.0147807766644994
Energy: 1.014917686220927
Energy: 1.1838116264124947
Energy: 1.3122420791696232
Energy: 1.4807016674837423
Energy: 1.3122420791696232
Energy: 1.028261635316413
Energy: 1.031739133785528
Energy: 1.590174428011583
Energy: 1.031739133785528
Energy: 1.0301354704537982
Energy: 1.5036622095904657
Energy: 1.0295218579466188
Energy: 1.5036622095904657
Energy: 1.6248883706235469
Energy: 1.031367425714062
Energy: 1.0294032538975681
Energy: 1.0313674257154473
Energy: 1.1531073212416496
Energy: 1.3466794339238815
Energy: 1.5335256250238236
Energy: 1.3466794339238815
Energy: 1.1525589972251042
Energy: 1.3557634044859515
Energy: 1.0915932161831643
Energy: 1.3557634044859515
Energy: 1.4799326087122804
Energy: 1.0696823344639408
Energy: 1.0956869063780408
Energy: 1.0696823344639408
Energy: 1.8360268896366276
Energy: 1.5675589359202748
Energy: 1.0938094762143347
Energy: 1.5675589359202748
Energy: 1.6290676578831598
Energy: 1.5888192697455141
Energy: 2.5989194985368007
Energy: 1.5888192697427432
Energy: 1.836150333252123
Energy: 1.567465202719066
Energy: 1.0938094762157202
Energy: 1.567465202719066
Energy: 1.4792693403206387
Energy: 1.0700531007690537
Energy: 1.0956150543583205
Energy: 1.0700531007690537
Energy: 1.1525530870825837
Energy: 1.3556525145618228
Energy: 1.0915932161803934
Energy: 1.3556525145618228

minimum gb energy = 1.0147432087967359 eV
minimum distance =  2.27783324143646 Angstroms
sigma value = 25


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

Energy: 1.4498947372519086
Energy: 1.7613709928990116
Energy: 2.5475834048280794
Energy: 1.7613709928990116
Energy: 1.7676249322770572
Energy: 1.318466379981845
Energy: 1.1723344459205411
Energy: 1.318466379981845
Energy: 1.609114427760462
Energy: 1.086062617739316
Energy: 1.1095375252340505
Energy: 1.086062617739316
Energy: 1.4597954877332568
Energy: 1.3878586228177985
Energy: 1.2100553726591983
Energy: 1.3878586228177985
Energy: 1.5316011020814846
Energy: 1.3876470840648132
Energy: 1.53625351614291
Energy: 1.3876470840648132
Energy: 1.7531096369767372
Energy: 1.0837900762253598
Energy: 1.1810824592583304
Energy: 1.0837900762253598
Energy: 1.107151133609168
Energy: 1.3527225814796264
Energy: 1.1811542754913607
Energy: 1.3527225814796264
Energy: 1.0970090720407921
Energy: 1.1046326930552204
Energy: 1.9953163515683205
Energy: 1.1046326930568309
Energy: 1.1931431534993753
Energy: 1.5154710511472114
Energy: 1.4812212557081603
Energy: 1.5154710511488216
Energy: 1.1057012390622465
Energy: 1.4211905963510811
Energy: 1.4372393473374014
Energy: 1.4211905963494704
Energy: 1.1431874638133634
Energy: 1.5147475431963382
Energy: 1.8014507320229134
Energy: 1.5147475431963382
Energy: 1.247311099048344
Energy: 1.2386998843679782
Energy: 1.7668769100812856
Energy: 1.2386998843679782
Energy: 1.1073889570572661
Energy: 1.4200682399097555
Energy: 1.5237151562867257
Energy: 1.420068239908145
Energy: 1.1949088173306213
Energy: 1.443525476178578
Energy: 1.4823633968940864
Energy: 1.4435254761769676
Energy: 1.1122251253797755
Energy: 1.105860318533153
Energy: 1.991759749623688
Energy: 1.105860318533153
Energy: 1.1279558867338901
Energy: 1.3990529786631614
Energy: 1.1810563853183886
Energy: 1.3990529786631614
Energy: 1.9975644069861536
Energy: 1.0771349745790681
Energy: 1.181682324033805
Energy: 1.0771349745790681
Energy: 1.432250125159781
Energy: 1.3623569471892427
Energy: 1.5461125926398542
Energy: 1.3623569471908532
Energy: 1.4716226813281723
Energy: 1.4326104357663263
Energy: 1.2096860588819602
Energy: 1.4326104357647156
Energy: 1.5046898716344759
Energy: 1.2322792847595727
Energy: 1.111119684148222
Energy: 1.2322792847595727
Energy: 1.8719843937153287
Energy: 1.323473319953606
Energy: 1.0919274445945448
Energy: 1.3234733199519955
Energy: 1.5391941141487608
Energy: 1.7736937647533677
Energy: 1.163207703255762
Energy: 1.7736937647533677
Energy: 1.767070097417264
Energy: 1.5743234774627037
Energy: 1.3104930425832162
Energy: 1.5743234774627037
Energy: 1.8535559966052595
Energy: 1.0863420153736425
Energy: 1.1105704185496386
Energy: 1.0863420153736425
Energy: 1.4575945001587223
Energy: 1.4042868997723328
Energy: 1.110660097524258
Energy: 1.4042868997707223

minimum gb energy = 1.0771349745790681 eV
minimum distance =  2.21964600885869 Angstroms
sigma value = 9


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

Energy: 1.081307199216792
Energy: 1.0801384345384475
Energy: 2.661853977057014
Energy: 1.0801384345372904
Energy: 1.311933054425566
Energy: 1.3456568065529169
Energy: 1.1828767888046114
Energy: 1.3456568065530916
Energy: 1.172103057376777
Energy: 1.1917613154587843
Energy: 1.2161692841173988
Energy: 1.191761315458959
Energy: 1.1720489953727606
Energy: 1.1446389959432437
Energy: 1.1826890521612836
Energy: 1.1446389959428507
Energy: 1.1718631319935418
Energy: 1.1724790848827005
Energy: 1.1727045708722792
Energy: 1.172479084882897
Energy: 1.8978616212224761
Energy: 1.1444188032570028
Energy: 1.1720792505681517
Energy: 1.1444188032571994
Energy: 1.2165170558790912
Energy: 1.1760476789530019
Energy: 1.1719908263058338
Energy: 1.1760476789522158
Energy: 1.1899279195579762
Energy: 1.176819152238315
Energy: 1.8735998133240142
Energy: 1.1768191522385114
Energy: 1.3294010041867832
Energy: 1.344886176935501
Energy: 1.1398311852425358
Energy: 1.344886176935501
Energy: 1.3293661799196423
Energy: 1.0797498176002236
Energy: 1.2980746006063502
Energy: 1.0797498176002236
Energy: 1.182731554225112
Energy: 1.344712850853913
Energy: 1.7205974282356638
Energy: 1.3447128508537163
Energy: 1.2146927188547645
Energy: 1.3137199458663351
Energy: 1.1719444809922248
Energy: 1.3137199458653743
Energy: 1.8920401614065823
Energy: 1.1466368470737907
Energy: 1.1471009843489872
Energy: 1.1466368470737907
Energy: 1.1721450513868439
Energy: 1.5988898949043713
Energy: 1.1720936678049818
Energy: 1.598889894904568
Energy: 1.1469326867924359
Energy: 1.1468055704949567
Energy: 1.892040161099501
Energy: 1.1468055704951532
Energy: 1.1719715208192842
Energy: 1.3137824467173387
Energy: 1.2146124493634252
Energy: 1.3137824467177315
Energy: 1.7204757336065895
Energy: 1.344760054393226
Energy: 1.1825588877898034
Energy: 1.3447600543936191
Energy: 1.2980036011406553
Energy: 1.079916292245959
Energy: 1.329366179918485
Energy: 1.079916292245566
Energy: 1.1399907839801153
Energy: 1.3448849786023647
Energy: 1.3294010041875473
Energy: 1.344884978602168
Energy: 1.8735714603243163
Energy: 1.176725633460043
Energy: 1.1900284662932314
Energy: 1.176725633460043
Energy: 1.1719865065404957
Energy: 1.1762558043423987
Energy: 1.2072419325420436
Energy: 1.1762558043425952

minimum gb energy = 1.0797498176002236 eV
minimum distance =  2.32752640121045 Angstroms
sigma value = 25


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

Energy: 1.482087068359992
Energy: 1.7335877599955876
Energy: 2.5051208657601167
Energy: 1.7335877599953446
Energy: 1.7688196114373815
Energy: 1.4236448102045705
Energy: 1.24126591630064
Energy: 1.4236448102043273
Energy: 1.5607868812275132
Energy: 1.1911678775023962
Energy: 1.2597904239469675
Energy: 1.1911678775023962
Energy: 1.2238271515406733
Energy: 1.2450935728762063
Energy: 1.23572758342939
Energy: 1.2450935728759633
Energy: 1.2996976239654345
Energy: 1.3850366191964332
Energy: 1.6615162153448428
Energy: 1.3850366191968924
Energy: 1.6849107333419098
Energy: 1.2061581181880696
Energy: 1.2057254165835265
Energy: 1.2061581181883125
Energy: 1.2736164394740823
Energy: 1.512553027405211
Energy: 1.206381759672999
Energy: 1.512553027404725
Energy: 1.404093402936479
Energy: 1.498919471349821
Energy: 1.6606916956661177
Energy: 1.498919471350064
Energy: 1.2739840953435595
Energy: 1.2056434027050742
Energy: 1.2061688195685334
Energy: 1.2056434027046152
Energy: 1.428893353809634
Energy: 1.4674296852139534
Energy: 1.2056548748133307
Energy: 1.4674296852141968
Energy: 1.2465760547922065
Energy: 1.2452322745635693
Energy: 1.6313549259830502
Energy: 1.2452322745645144
Energy: 1.2454057099247022
Energy: 1.4540163096318262
Energy: 1.2187995310003041
Energy: 1.454016309631583
Energy: 1.53835468181254
Energy: 1.2363781733587416
Energy: 1.2391967423271255
Energy: 1.2363781733585255
Energy: 1.6241100214040312
Energy: 1.6443596098901487
Energy: 1.408411302992146
Energy: 1.6443596098906348
Energy: 1.7272500837821636
Energy: 1.7211898289503378
Energy: 1.4080200374937368
Energy: 1.7211898289510401
Energy: 1.768783524639946
Energy: 1.2056552233800968
Energy: 1.2349698718563753
Energy: 1.2056552233815279
Energy: 1.3085836856074147
Energy: 1.6326501877246278
Energy: 1.218820451063284
Energy: 1.6326501877248438

minimum gb energy = 1.1911678775023962 eV
minimum distance =  2.28457762641657 Angstroms
sigma value = 17


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

Energy: 1.5921413011903203
Energy: 1.6009937169349813
Energy: 2.4403294608878032
Energy: 1.6009937169349813
Energy: 1.7582819784702743
Energy: 1.4242192774280757
Energy: 1.3102410666312725
Energy: 1.424219277430767
Energy: 1.5056066105287542
Energy: 1.336793984587533
Energy: 1.268370540422976
Energy: 1.3367939845861874
Energy: 1.2586164031424485
Energy: 1.2090362694850492
Energy: 1.2896422841711377
Energy: 1.2090362694863948
Energy: 1.3046940285559032
Energy: 1.4546497510858452
Energy: 1.5993466524204047
Energy: 1.454649751087191
Energy: 1.5367452253211245
Energy: 1.6555734638058368
Energy: 1.3314096415539518
Energy: 1.6555734638058368
Energy: 1.354253624095125
Energy: 1.44995816594627
Energy: 1.6184444103695899
Energy: 1.44995816594627
Energy: 1.2748975849038318
Energy: 1.4709587060798788
Energy: 1.561919503731315
Energy: 1.4709587060785634
Energy: 1.2669554778194578
Energy: 1.3825472633031755
Energy: 1.2610860814538762
Energy: 1.3825472633031755
Energy: 1.594882351182562
Energy: 1.4043153292902304
Energy: 1.427110464115169
Energy: 1.4043153292902304
Energy: 1.2837081994354334
Energy: 1.356646863015412
Energy: 1.491675647334743
Energy: 1.356646863015412
Energy: 1.2829509683074543
Energy: 1.502153766349993
Energy: 1.3159771498427948
Energy: 1.5021537663486473
Energy: 1.5794155448381146
Energy: 1.3293478955652795
Energy: 1.3412201605744736
Energy: 1.3293478955652795
Energy: 1.2775812851824098
Energy: 1.3222752403091471
Energy: 1.3384737985355357
Energy: 1.3222752403064555
Energy: 1.2788713016038291
Energy: 1.552674709117128
Energy: 1.6081229746005181
Energy: 1.552674709117128
Energy: 1.5211618101014788
Energy: 1.3682740177987631
Energy: 1.2610146210289948
Energy: 1.3682740177987631
Energy: 1.2765849584203555
Energy: 1.5413494171724218
Energy: 1.2890340816244057
Energy: 1.5413494171724218
Energy: 1.3083735956967755
Energy: 1.4204680549417905
Energy: 1.7479313766987135
Energy: 1.4204680549431363
Energy: 1.3383754987430665
Energy: 1.6567508117637615
Energy: 1.5996928967703679
Energy: 1.656750811762416
Energy: 1.590646054151105
Energy: 1.566720162372021
Energy: 1.5353887572221356
Energy: 1.566720162372021
Energy: 1.2311343806947372
Energy: 1.3082104913989305
Energy: 1.631764936058736
Energy: 1.3082104914002761
Energy: 1.2610744813746106
Energy: 1.4978382624747923
Energy: 1.2624246234313927
Energy: 1.4978382624747923
Energy: 1.517213334610704
Energy: 1.3154496812684986
Energy: 1.262827370225677
Energy: 1.3154496812684986
Energy: 1.5770777446472708
Energy: 1.394851108755194
Energy: 1.537652726999307
Energy: 1.3948511087565398
Energy: 1.5759903930022814
Energy: 1.4965014718430736
Energy: 1.538069963218122
Energy: 1.4965014718430736
Energy: 1.6429850942901965
Energy: 1.2740111281526354
Energy: 1.2733986104877988
Energy: 1.2740111281526354
Energy: 1.2446349402465393
Energy: 1.4990224982675897
Energy: 1.2546329065680901
Energy: 1.499022498268935
Energy: 1.231264374116573
Energy: 1.247954089114401
Energy: 1.5763579192785195
Energy: 1.2479540891210987
Energy: 1.5379787944183
Energy: 1.5412350736984275
Energy: 1.5598699683745867
Energy: 1.5412350736984275
Energy: 1.3161299767709254
Energy: 1.6411344170728355
Energy: 1.332855266217378
Energy: 1.6411344170728355

minimum gb energy = 1.2090362694850492 eV
minimum distance =  2.22446509244762 Angstroms
sigma value = 53


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

Energy: 1.1906994042234467
Energy: 1.2787481181613292
Energy: 2.551155094484015
Energy: 1.2787481181610123
Energy: 1.2793339879864476
Energy: 1.3923013076835717
Energy: 1.2600989985032287
Energy: 1.3923013076826565
Energy: 1.6912945444196978
Energy: 1.482576651381544
Energy: 1.2770989278389264
Energy: 1.482576651381227
Energy: 1.277086166313559
Energy: 1.482806233665902
Energy: 1.6912472930101885
Energy: 1.4828062336661838
Energy: 1.259960121088019
Energy: 1.3923231409789687
Energy: 1.2793016001488953
Energy: 1.392323140979567
Energy: 2.5511550944809165
Energy: 1.2787481181604141
Energy: 1.1906994042228132
Energy: 1.2787481181604141
Energy: 1.2600989985038273
Energy: 1.392301307682973
Energy: 1.2793339879864476
Energy: 1.3923013076832549
Energy: 1.2770989278386096
Energy: 1.482576651381861
Energy: 1.6912945444196978
Energy: 1.482576651381227
Energy: 1.6912472930092732
Energy: 1.482806233665902
Energy: 1.2770861663141928
Energy: 1.4828062336661838
Energy: 1.2793016001492121
Energy: 1.392323140979884
Energy: 1.2599601210883358
Energy: 1.392323140979567
Energy: 1.1906994042234467
Energy: 1.278748118160731
Energy: 2.551155094481515
Energy: 1.2787481181610123
Energy: 1.2793339879870462
Energy: 1.3923013076838886
Energy: 1.2600989985041442
Energy: 1.3923013076832549
Energy: 1.6912945444193808
Energy: 1.482576651381227
Energy: 1.2770989278386096
Energy: 1.482576651381544

minimum gb energy = 1.1906994042228132 eV
minimum distance =  2.33467210461052 Angstroms
sigma value = 9


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

Energy: 1.4573295198221003
Energy: 1.6279410083026782
Energy: 2.369351804876894
Energy: 1.6279410083026782
Energy: 1.7804644830059946
Energy: 1.629237820144874
Energy: 1.4943554688723384
Energy: 1.6292378201460205
Energy: 1.379471512181337
Energy: 1.3823396981335208
Energy: 1.3381143453254745
Energy: 1.3823396981335208
Energy: 1.3589481047364602
Energy: 1.4041003998003247
Energy: 1.4453661456576878
Energy: 1.4041003998003247
Energy: 1.4409332331654412
Energy: 1.5616854700112932
Energy: 1.6814939264801412
Energy: 1.5616854700124396
Energy: 1.840349303346712
Energy: 1.5125038158783417
Energy: 1.4547709383701593
Energy: 1.5125038158794881
Energy: 1.4570635497968054
Energy: 1.5441437462242913
Energy: 1.778105103734073
Energy: 1.544143746225438
Energy: 1.3328529773231164
Energy: 1.4309514168425517
Energy: 1.3886219212133406
Energy: 1.430951416843698
Energy: 1.4247520219777878
Energy: 1.488262460785655
Energy: 1.3671343360588297
Energy: 1.4882624607868014
Energy: 1.4390787625703187
Energy: 1.5284168918919923
Energy: 1.4228000334801043
Energy: 1.5284168918931391
Energy: 1.3519070764278411
Energy: 1.5138254071486275
Energy: 1.8087985983259431
Energy: 1.5138254071497745
Energy: 1.7682958887797522
Energy: 1.5275981491656672
Energy: 1.3960555695612937
Energy: 1.5275981491633739
Energy: 1.4033827568669912
Energy: 1.3980734472708718
Energy: 1.3110817509640553
Energy: 1.3980734472697252
Energy: 1.4318544171186705
Energy: 1.5072008359048283
Energy: 1.4525438934400579
Energy: 1.5072008359059752
Energy: 1.395926233691486
Energy: 1.5168252765989247
Energy: 1.382460481204254
Energy: 1.5168252765977783
Energy: 1.741868514644424
Energy: 1.3983102279023383
Energy: 1.352158546033143
Energy: 1.398310227903485
Energy: 1.4550185737130767
Energy: 1.5303332497639144
Energy: 1.739917627246798
Energy: 1.5303332497627677
Energy: 1.3494481794894284
Energy: 1.522913535537738
Energy: 1.4078826292841222
Energy: 1.522913535537738
Energy: 1.7930658554510028
Energy: 1.549852951201254
Energy: 1.499932070877483
Energy: 1.549852951201254
Energy: 1.3926980890935867
Energy: 1.5317388892988115
Energy: 1.3631762346973089
Energy: 1.5317388892988115
Energy: 1.3657678166572456
Energy: 1.4117127709645159
Energy: 1.745028218893688
Energy: 1.4117127709633692
Energy: 1.5223350255062524
Energy: 1.5511680967905463
Energy: 1.4464005377130689
Energy: 1.5511680967905463
Energy: 1.4630626219090936
Energy: 1.5270638682249122
Energy: 1.4907797058596302
Energy: 1.5270638682249122
Energy: 1.4141094421829443
Energy: 1.4904938568484907
Energy: 1.8232590476526829
Energy: 1.4904938568496373
Energy: 1.3629651080261491
Energy: 1.5112673243796397
Energy: 1.3427909576137094
Energy: 1.5112673243796397
Energy: 1.5776299259136726
Energy: 1.4438166933977965
Energy: 1.3496258125100258
Energy: 1.4438166933977965
Energy: 1.7422853507592588
Energy: 1.557606751363676
Energy: 1.586650342929335
Energy: 1.5576067513648224
Energy: 1.551602707149212
Energy: 1.587076002035362
Energy: 1.5413631443388276
Energy: 1.5870760020365087
Energy: 1.748004015456587
Energy: 1.4452136155160378
Energy: 1.3520230014164
Energy: 1.4452136155171846
Energy: 1.3591744077547792
Energy: 1.5398252409288733
Energy: 1.3383298993763189
Energy: 1.5398252409288733
Energy: 1.4099112574484511
Energy: 1.4907586537862803
Energy: 1.9174494611935045
Energy: 1.4907586537851336
Energy: 1.4614156726408551
Energy: 1.4835793431311155
Energy: 1.4606728850668844
Energy: 1.483579343129969
Energy: 1.7588174886221926
Energy: 1.5578043478285697
Energy: 1.4436994831369039
Energy: 1.5578043478285697
Energy: 1.3819214030231108
Energy: 1.4120403774935726
Energy: 1.7466284838946478
Energy: 1.4120403774947192
Energy: 1.3784629750987563
Energy: 1.5325429316371209
Energy: 1.3625105046203592
Energy: 1.5325429316359744

minimum gb energy = 1.3110817509640553 eV
minimum distance =  2.25262944099913 Angstroms
sigma value = 73


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

Energy: 1.5256993464213988
Energy: 1.4634386358383507
Energy: 2.4775082833909927
Energy: 1.46343863583926
Energy: 1.4486366521415568
Energy: 1.573657075376625
Energy: 1.4865038647457316
Energy: 1.5736570753764392
Energy: 1.3861415172065517
Energy: 1.459597525266881
Energy: 1.3637840951902607
Energy: 1.4595975252677909
Energy: 1.3628284580963883
Energy: 1.5024626557269822
Energy: 1.4477761935633067
Energy: 1.5024626557273335
Energy: 1.5098345977041518
Energy: 1.5123432962193912
Energy: 1.475580294778861
Energy: 1.5123432962190397
Energy: 1.9533021964847623
Energy: 1.4885897874672365
Energy: 1.2997284875627197
Energy: 1.4885897874663268
Energy: 1.399667077433729
Energy: 1.6238956525194075
Energy: 1.5423566129360708
Energy: 1.6238956525197792
Energy: 1.3082078067102496
Energy: 1.3957721304435324
Energy: 1.4852865014108807
Energy: 1.3957721304431812
Energy: 1.5808564839342776
Energy: 1.5600723343551601
Energy: 1.520062201247106
Energy: 1.560072334354788
Energy: 1.3824542092187802
Energy: 1.5682908902614117
Energy: 1.4544161169571534
Energy: 1.5682908902610395
Energy: 1.3037941410624065
Energy: 1.3954324972386476
Energy: 1.8667823216260897
Energy: 1.3954324972384615
Energy: 1.6427723591645258
Energy: 1.5286836358227793
Energy: 1.4693396283327358
Energy: 1.5286836358227793
Energy: 1.4484194610700805
Energy: 1.5344083462340592
Energy: 1.372204768659068
Energy: 1.5344083462342242
Energy: 1.432833577023812
Energy: 1.6259170541624757
Energy: 1.9018341576303848
Energy: 1.6259170541621242
Energy: 1.3579066291710096
Energy: 1.5380653850016288
Energy: 1.409884885576164
Energy: 1.538065385002001
Energy: 1.6426972573930445
Energy: 1.490256326877677
Energy: 1.414989496169545
Energy: 1.490256326877677
Energy: 1.47703594975434
Energy: 1.5300955735878508
Energy: 1.6481353077111156
Energy: 1.5300955735885744
Energy: 1.5323149760680137
Energy: 1.4948825343382
Energy: 1.6498165200850732
Energy: 1.494882534338572
Energy: 1.7555487918727106
Energy: 1.4901917334603116
Energy: 1.4486542373364855
Energy: 1.4901917334603116
Energy: 1.3616209741353538
Energy: 1.5303258130775328
Energy: 1.3603164849928164
Energy: 1.5303258130777189
Energy: 1.3751838191398138
Energy: 1.3737312253270293
Energy: 1.9053221134310998
Energy: 1.3737312253263054
Energy: 1.447948261876623
Energy: 1.5313540462692357
Energy: 1.3721507494305205
Energy: 1.5313540462694217

minimum gb energy = 1.2997284875627197 eV
minimum distance =  2.22596533232413 Angstroms
sigma value = 7


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

Energy: 1.617149816766818
Energy: 1.5088778599713328
Energy: 2.4061781077787723
Energy: 1.5088778599713328
Energy: 1.519093986070835
Energy: 1.4511626132468178
Energy: 1.433887916805252
Energy: 1.4511626132468178
Energy: 1.4047432576320897
Energy: 1.4608048032419052
Energy: 1.3306409079265455
Energy: 1.4608048032419052
Energy: 1.4073429416674186
Energy: 1.5241075516741283
Energy: 1.4410767566238762
Energy: 1.5241075516754148
Energy: 1.4304732249836245
Energy: 1.5872695050025036
Energy: 1.3764787529751707
Energy: 1.5872695050025036
Energy: 1.9120753075598689
Energy: 1.3998132385947057
Energy: 1.296309581408008
Energy: 1.3998132385947057
Energy: 1.3601525515837865
Energy: 1.4814141501732085
Energy: 1.6291224862183822
Energy: 1.4814141501732085
Energy: 1.2963746374460796
Energy: 1.387908810355801
Energy: 1.4265219063016648
Energy: 1.3879088103570874
Energy: 1.7788807490905902
Energy: 1.4180502693233905
Energy: 1.4201876115891585
Energy: 1.4180502693246768
Energy: 1.3832113337064775
Energy: 1.5326440511471213
Energy: 1.4022230873409445
Energy: 1.5326440511471213
Energy: 1.3396282199379828
Energy: 1.3791657241565192
Energy: 1.6265373977892252
Energy: 1.3791657241603783
Energy: 1.6514530402189194
Energy: 1.5512189637161007
Energy: 1.5047508372530471
Energy: 1.5512189637161007
Energy: 1.6829391776377285
Energy: 1.55812171237506
Energy: 1.5330433602982914
Energy: 1.55812171237506
Energy: 1.4710366336196992
Energy: 1.3865623426381382
Energy: 1.9299307056478736
Energy: 1.3865623426419973
Energy: 1.3409866846015046
Energy: 1.489532953634386
Energy: 1.399962820678623
Energy: 1.489532953634386
Energy: 1.8420644549126861
Energy: 1.6274633732162183
Energy: 1.4164905229472038
Energy: 1.6274633732175048
Energy: 1.388220598528898
Energy: 1.4441951552766037
Energy: 1.4263971198851093
Energy: 1.4441951552766037
Energy: 1.3870809021884647
Energy: 1.5959597775020162
Energy: 1.630532524899862
Energy: 1.5959597774994434
Energy: 1.9223165212579514
Energy: 1.296718390830064
Energy: 1.3882944984383823
Energy: 1.296718390830064
Energy: 1.4238050916532117
Energy: 1.5872386112214145
Energy: 1.3876091369306267
Energy: 1.5872386112214145
Energy: 1.396379633835928
Energy: 1.3937426747404162
Energy: 1.5252899471574863
Energy: 1.3937426747404162
Energy: 1.567105786464985
Energy: 1.46054644312707
Energy: 1.3380173428786695
Energy: 1.46054644312707
Energy: 1.516853442237098
Energy: 1.538348227441684
Energy: 1.430550430454475
Energy: 1.5383482274403975
Energy: 1.6256214293355642
Energy: 1.5989054681433077
Energy: 1.677695412456191
Energy: 1.5989054681433077
Energy: 1.515890409851145
Energy: 1.553443534531363
Energy: 1.4418322422435015
Energy: 1.553443534531363
Energy: 1.5276899128094539
Energy: 1.4607604133650034
Energy: 1.3381906370934873
Energy: 1.4607604133650034
Energy: 1.4559816762590954
Energy: 1.5247980138766304
Energy: 1.4574430684554358
Energy: 1.5247980138766304
Energy: 1.4344781946699803
Energy: 1.5860818422349423
Energy: 1.6906793746054787
Energy: 1.5860818422362286
Energy: 1.5346586698422278
Energy: 1.386862082142526
Energy: 1.284728003124503
Energy: 1.386862082142526
Energy: 1.6170656423617549
Energy: 1.4789805039094563
Energy: 1.6175556915378595
Energy: 1.4789805039094563
Energy: 1.284726197412589
Energy: 1.3869105436504314
Energy: 1.534658669843514
Energy: 1.3869105436504314

minimum gb energy = 1.284726197412589 eV
minimum distance =  2.27304195076798 Angstroms
sigma value = 29


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

Energy: 1.1894998503719056
Energy: 1.558869050821336
Energy: 2.4383208748187744
Energy: 1.558869050821336
Energy: 1.6731314533534298
Energy: 1.2648765700106228
Energy: 1.262009827624211
Energy: 1.2648765700110458
Energy: 1.4842991356867754
Energy: 1.2152572066724348
Energy: 1.215521799092306
Energy: 1.2152572066724348
Energy: 1.585603538193315
Energy: 1.4392482322200737
Energy: 1.2613315112178554
Energy: 1.4392482322205216
Energy: 1.585808449945026
Energy: 1.404961180977561
Energy: 1.2189897844986213
Energy: 1.404961180977113
Energy: 1.484387375812867
Energy: 1.2151414303530335
Energy: 1.2204823213555225
Energy: 1.2151414303539048
Energy: 1.5688563467805037
Energy: 1.2139190768625925
Energy: 1.890531791596903
Energy: 1.2139190768639119
Energy: 1.1780161562495877
Energy: 1.4104792989890587
Energy: 1.8915801353578958
Energy: 1.4104792989886108
Energy: 1.6720539669135517
Energy: 1.2609523400704858
Energy: 1.3652777358618797
Energy: 1.2609523400696145

minimum gb energy = 1.1780161562495877 eV
minimum distance =  2.35905969298372 Angstroms
sigma value = 5


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

Energy: 1.5413847517959107
Energy: 1.6464451179363617
Energy: 2.09503559627252
Energy: 1.646445117937577
Energy: 1.7428894062719718
Energy: 1.6161262601455493
Energy: 1.4585176062755163
Energy: 1.6161262601467645
Energy: 1.3788296665776352
Energy: 1.5050152601331994
Energy: 1.382552235154768
Energy: 1.5050152601331994
Energy: 1.3993324567323426
Energy: 1.44186404479931
Energy: 1.5387308501376566
Energy: 1.4418640447980948
Energy: 1.324950105343351
Energy: 1.4823963469620136
Energy: 1.3855190748925397
Energy: 1.4823963469632286
Energy: 1.3598427393884702
Energy: 1.4416128587931196
Energy: 1.2841564919826993
Energy: 1.44161285879555
Energy: 1.4245585818689106
Energy: 1.4805448069137312
Energy: 1.4738455352319744
Energy: 1.4805448069137312
Energy: 1.4259759846089493
Energy: 1.5077334710713683
Energy: 1.659378696082908
Energy: 1.5077334710725834
Energy: 1.8486295198269729
Energy: 1.521322175134332
Energy: 1.427358680665957
Energy: 1.5213221751355472
Energy: 1.6673907434493969
Energy: 1.5223919763703944
Energy: 1.4532565709520326
Energy: 1.5223919763703944
Energy: 1.2887804093971358
Energy: 1.429202376169053
Energy: 1.5438379836327354
Energy: 1.4292023761702684
Energy: 1.2851133678989508
Energy: 1.451230684292629
Energy: 1.3313307820212124
Energy: 1.451230684292629
Energy: 1.5714458192171779
Energy: 1.5467507759776233
Energy: 1.428281880898424
Energy: 1.5467507759788386
Energy: 1.3258278733526192
Energy: 1.4768310090046224
Energy: 1.324681566962896
Energy: 1.4768310090034074
Energy: 1.3863719375264767
Energy: 1.5056165091180207
Energy: 1.7316490090520664
Energy: 1.5056165091180207
Energy: 1.834297818293604
Energy: 1.5450263320679825
Energy: 1.5329543856740393
Energy: 1.5450263320691973
Energy: 1.6327067587805475
Energy: 1.5363468634099244
Energy: 1.645951619963795
Energy: 1.5363468634099244
Energy: 1.4140130182716777
Energy: 1.510632135719074
Energy: 1.5626671588321839
Energy: 1.510632135719074
Energy: 1.5095281159913085
Energy: 1.3753988981055683
Energy: 1.3927182935453244
Energy: 1.3753988981079985
Energy: 1.3124102791726053
Energy: 1.4874449162858714
Energy: 1.3561091513284758
Energy: 1.4874449162858714
Energy: 1.3235496610522266
Energy: 1.4320399105425845
Energy: 1.3512021981820235
Energy: 1.4320399105425845
Energy: 1.4626445523687837
Energy: 1.4610940404708097
Energy: 1.4095988096292373
Energy: 1.461094040469595
Energy: 1.3769557871819125
Energy: 1.4927908826835925
Energy: 1.3318951036077091
Energy: 1.492790882684808
Energy: 1.653847284998369
Energy: 1.500060859756813
Energy: 1.7813784564532003
Energy: 1.5000608597580283
Energy: 1.7099316761096492
Energy: 1.5263885678651319
Energy: 2.0364387857420487
Energy: 1.5263885678651319
Energy: 1.7789560456419988
Energy: 1.4915897278222232
Energy: 1.4498418367019916
Energy: 1.4915897278222232
Energy: 1.325317339826683
Energy: 1.4920653555649956
Energy: 1.375039633320806
Energy: 1.4920653555662107
Energy: 1.3960717508194116
Energy: 1.4046217560707204
Energy: 1.530146725985474
Energy: 1.4046217560707204
Energy: 1.3095703801151808
Energy: 1.4710293028853718
Energy: 1.3429494241596047
Energy: 1.4710293028853718
Energy: 1.5722489988414736
Energy: 1.672274070666262
Energy: 1.3514862890307078
Energy: 1.6722740706650467
Energy: 1.5259683318020913
Energy: 1.502282866625472
Energy: 1.5704371978252403
Energy: 1.5022828666266872
Energy: 1.476585125523511
Energy: 1.3721803335158154
Energy: 1.8371024383450636
Energy: 1.3721803335146001
Energy: 1.8030145617798623
Energy: 1.5547012579376676
Energy: 1.5355334424624003
Energy: 1.5547012579388824

minimum gb energy = 1.2841564919826993 eV
minimum distance =  2.24872487944414 Angstroms
sigma value = 1


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

Energy: 1.5909118596442307
Energy: 1.5009762018689359
Energy: 2.1353948933397424
Energy: 1.5009762018689359
Energy: 1.624773729885209
Energy: 1.598568869352599
Energy: 1.5063412383611656
Energy: 1.598568869352599
Energy: 1.5090321026894007
Energy: 1.4631941784736544
Energy: 1.5969628562316216
Energy: 1.4631941784736544
Energy: 1.3175411806096031
Energy: 1.4381875397215869
Energy: 1.4806280955276059
Energy: 1.4381875397199066
Energy: 1.284261609343777
Energy: 1.4347830916216415
Energy: 1.3203250598255731
Energy: 1.4347830916216415
Energy: 1.288747510452492
Energy: 1.2600421260287458
Energy: 1.2864864320799279
Energy: 1.2600421260287458
Energy: 1.4284380696603625
Energy: 1.434287481822171
Energy: 1.4555780078676617
Energy: 1.434287481822171
Energy: 1.4602610104077862
Energy: 1.5615012181681032
Energy: 1.6417592753463512
Energy: 1.5615012181681032
Energy: 1.5179908977797425
Energy: 1.3691807169355326
Energy: 1.2520144750921598
Energy: 1.3691807169321721
Energy: 1.5179908977797425
Energy: 1.4282353237925633
Energy: 1.252011333132979
Energy: 1.4282353237908834
Energy: 1.4239868857733533
Energy: 1.4850642481542728
Energy: 1.6417592753463512
Energy: 1.4850642481542728
Energy: 1.459673388671979
Energy: 1.4818233287345537
Energy: 1.4555780078693417
Energy: 1.4818233287345537
Energy: 1.3143669710166146
Energy: 1.2844559162125688
Energy: 1.3444035241328856
Energy: 1.2844559162125688
Energy: 1.2848938811282467
Energy: 1.4146995800701307
Energy: 1.252934658616009
Energy: 1.4146995800701307
Energy: 1.7069691667160467
Energy: 1.4372648603441418
Energy: 1.544908410172865
Energy: 1.4372648603441418
Energy: 1.5090321026910807
Energy: 1.4516522794854059
Energy: 1.5969812267873684
Energy: 1.4516522794854059
Energy: 1.5488794810042092
Energy: 1.5314859844762285
Energy: 1.491138887893462
Energy: 1.5314859844745483
Energy: 1.5909118596442307
Energy: 1.5009762018689359
Energy: 2.135394893338062
Energy: 1.5009762018689359
Energy: 1.624773729886889
Energy: 1.598568869349239
Energy: 1.5063412383628463
Energy: 1.598568869352599
Energy: 1.5090321026894007
Energy: 1.4631941784736544
Energy: 1.5969628562316216
Energy: 1.4631941784736544
Energy: 1.3175411806096031
Energy: 1.4381875397215869
Energy: 1.4806280955276059
Energy: 1.4381875397215869
Energy: 1.284261609343777
Energy: 1.4347830916199613
Energy: 1.320325059823893
Energy: 1.4347830916216415
Energy: 1.2887475104491315
Energy: 1.2600421260287458
Energy: 1.2864864320799279
Energy: 1.2600421260287458
Energy: 1.428438069662043
Energy: 1.434287481822171
Energy: 1.4555780078693417
Energy: 1.434287481822171

minimum gb energy = 1.252011333132979 eV
minimum distance =  2.23102445448053 Angstroms
sigma value = 17


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

Energy: 1.710133046383492
Energy: 1.4619553518507888
Energy: 1.974254333545171
Energy: 1.4619553518487116
Energy: 1.688634206376221
Energy: 1.548460193996096
Energy: 1.5030196179439503
Energy: 1.5484601939971345
Energy: 1.36584337639833
Energy: 1.4563413483716836
Energy: 1.3874886116328788
Energy: 1.4563413483716836
Energy: 1.3621763050869895
Energy: 1.4211089872657512
Energy: 1.5637984302720658
Energy: 1.4211089872636742
Energy: 1.343041467152858
Energy: 1.4465588982218007
Energy: 1.2891715815139095
Energy: 1.4465588982238775
Energy: 1.4533625056378314
Energy: 1.4692511503982904
Energy: 1.2818094276330894
Energy: 1.4692511503993284
Energy: 1.3132809803543413
Energy: 1.442483274334845
Energy: 1.328605015204441
Energy: 1.4424832743338065
Energy: 1.2952023277393734
Energy: 1.4746877726914258
Energy: 1.5058990712363185
Energy: 1.4746877726893488
Energy: 1.5870816979964133
Energy: 1.5128447689364424
Energy: 1.5654358648366673
Energy: 1.5128447689385194
Energy: 1.6172493864781847
Energy: 1.5198402940117635
Energy: 1.5397554628684689
Energy: 1.519840294012802
Energy: 1.3486895075773961
Energy: 1.4989377333055611
Energy: 1.7841531786114004
Energy: 1.4989377333045228
Energy: 1.3462368755614895
Energy: 1.4750935200017279
Energy: 1.491829235295007
Energy: 1.475093520003805
Energy: 1.303572856976636
Energy: 1.4425980363407587
Energy: 1.2846064890274054
Energy: 1.4425980363397206
Energy: 1.3530288700915636
Energy: 1.4516032281242306
Energy: 1.2848815601849675
Energy: 1.4516032281242306
Energy: 1.3121051610489283
Energy: 1.4583898207327488
Energy: 1.340023357527081
Energy: 1.4583898207327488
Energy: 1.3591378720724012
Energy: 1.4554619730860818
Energy: 1.3792773255310942
Energy: 1.4554619730860818
Energy: 1.6178845977692522
Energy: 1.307172349830986
Energy: 1.4353451972045894
Energy: 1.3071723498330627
Energy: 1.5163011518617047
Energy: 1.4899866403017685
Energy: 1.5243344588717231
Energy: 1.4899866403028073
Energy: 1.5603244941909737
Energy: 1.545030149942228
Energy: 1.6100888448393982
Energy: 1.5450301499453434
Energy: 1.7400057841490024
Energy: 1.557615361144071
Energy: 1.5149540651569875
Energy: 1.5576153611451093
Energy: 1.363285139311562
Energy: 1.5854986438481262
Energy: 1.663610544191355
Energy: 1.5854986438470875
Energy: 1.3944022052908498
Energy: 1.4374172715921942
Energy: 1.3489867149013426
Energy: 1.4374172715911555
Energy: 1.51748727889442
Energy: 1.5444150628095674
Energy: 1.36957326011144
Energy: 1.5444150628116442
Energy: 1.2857706899078836
Energy: 1.4434479178948603
Energy: 1.3371681836669267
Energy: 1.4434479178948603
Energy: 1.3283497275408305
Energy: 1.4967637967331353
Energy: 1.5062084221666139
Energy: 1.4967637967331353
Energy: 1.3260410249219075
Energy: 1.4656014501300805
Energy: 1.3339637633295796
Energy: 1.4656014501290422
Energy: 1.7424048751974535
Energy: 1.4729755697680695
Energy: 1.3485881931254105
Energy: 1.4729755697701468
Energy: 1.590363841433062
Energy: 1.5853866034447173
Energy: 1.8111565969880479
Energy: 1.5853866034447173
Energy: 1.616906693899203
Energy: 1.4510562075597688
Energy: 1.7386332654885281
Energy: 1.4510562075587303
Energy: 1.5087155072428788
Energy: 1.4659195045402056
Energy: 1.334251099885256
Energy: 1.465919504539167
Energy: 1.3408194623235177
Energy: 1.454353229395587
Energy: 1.346637294882153
Energy: 1.4543532293935102
Energy: 1.2679047087491915
Energy: 1.460701345982268
Energy: 1.371397622895524
Energy: 1.4607013459812295
Energy: 1.3478207301585554
Energy: 1.451267591306316
Energy: 1.314196964564289
Energy: 1.451267591305278
Energy: 1.4670023559578456
Energy: 1.4426864886570003
Energy: 1.3771252257906401
Energy: 1.4426864886570003
Energy: 1.3857191979653933
Energy: 1.4521248283825139
Energy: 1.3079256500126513
Energy: 1.4521248283814758
Energy: 1.5084801665841658
Energy: 1.4086141774354193
Energy: 1.6163953474042394
Energy: 1.4086141774354193
Energy: 1.815016015345579
Energy: 1.5524274503146138
Energy: 1.4907284167625405
Energy: 1.5524274503135753
Energy: 1.5406072644022284
Energy: 1.4246733934980234
Energy: 1.6558698151656566
Energy: 1.4246733934969849

minimum gb energy = 1.2679047087491915 eV
minimum distance =  2.29124392042308 Angstroms
sigma value = 89


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

Energy: 1.612574497395138
Energy: 1.4268915406416496
Energy: 2.00455491749131
Energy: 1.4268915406419276
Energy: 1.4206483637462517
Energy: 1.4841485039949804
Energy: 1.4677952983513436
Energy: 1.4841485039944555
Energy: 1.3741083741496034
Energy: 1.3717272893381796
Energy: 1.266397040246821
Energy: 1.3717272893379018
Energy: 1.248083415033478
Energy: 1.3916035824251825
Energy: 1.443589212896165
Energy: 1.3916035824251825
Energy: 1.3310038471997885
Energy: 1.3916229368921744
Energy: 1.404407309756549
Energy: 1.3916229368924213
Energy: 1.2452292131940315
Energy: 1.4544210317822515
Energy: 1.4218971550129023
Energy: 1.4544210317822515
Energy: 1.205974056252321
Energy: 1.419355537209647
Energy: 1.3808300745541369
Energy: 1.419355537209647
Energy: 1.2461684129219557
Energy: 1.3724355873750727
Energy: 1.3446086735932818
Energy: 1.372435587374795
Energy: 1.3669747331092381
Energy: 1.399243835452427
Energy: 1.2694379335290662
Energy: 1.3992438354527048
Energy: 1.6633915664936294
Energy: 1.427299386790434
Energy: 1.2124061114623585
Energy: 1.427299386790434
Energy: 1.4411893778288
Energy: 1.419308504404723
Energy: 1.6078597674171589
Energy: 1.419308504405001
Energy: 1.3882174319275549
Energy: 1.4088143887962437
Energy: 1.6047802288163877
Energy: 1.4088143887964908
Energy: 1.371469100394939
Energy: 1.399077700373772
Energy: 1.269261723930198
Energy: 1.399077700373772
Energy: 1.3671005113267554
Energy: 1.3821656367183823
Energy: 1.212264986605888
Energy: 1.3821656367178574
Energy: 1.208096018230868
Energy: 1.4010753650185732
Energy: 1.3438752528885431
Energy: 1.4010753650185732

minimum gb energy = 1.205974056252321 eV
minimum distance =  2.27688521804223 Angstroms
sigma value = 13


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

Energy: 1.379575886739087
Energy: 1.3695669512871549
Energy: 1.7682887859151857
Energy: 1.3695669512882938
Energy: 1.3686891521730156
Energy: 1.2803931458042253
Energy: 1.2932289533176438
Energy: 1.2803931458042253
Energy: 1.2676229818043812
Energy: 1.3067569834767239
Energy: 1.3960254109971
Energy: 1.3067569834778627
Energy: 1.2255035568551007
Energy: 1.320574983668255
Energy: 1.31447495012159
Energy: 1.3205749836693939
Energy: 1.3435222708622565
Energy: 1.284619133268164
Energy: 1.3717002351279328
Energy: 1.284619133268164
Energy: 1.315396606892948
Energy: 1.3742279574721237
Energy: 1.5189960993374574
Energy: 1.3742279574721237
Energy: 1.180099863242532
Energy: 1.3564374428895598
Energy: 1.2301513424081572
Energy: 1.3564374428895598
Energy: 1.200627498032452
Energy: 1.2714519896294538
Energy: 1.2155950213538247
Energy: 1.2714519896294538
Energy: 1.3439393175282106
Energy: 1.2792440393530258
Energy: 1.216990024855172
Energy: 1.2792440393541646
Energy: 1.3931300342276953
Energy: 1.33644336906752
Energy: 1.226134792623891
Energy: 1.336443369066381
Energy: 1.2862581920032372
Energy: 1.3088894144466796
Energy: 1.2603423922247279
Energy: 1.3088894144478185
Energy: 1.2191193986109827
Energy: 1.3568634563587822
Energy: 1.5150545150089498
Energy: 1.3568634563587822
Energy: 1.2601095802423352
Energy: 1.330915654604269
Energy: 1.3327522553140223
Energy: 1.330915654604269
Energy: 1.3731386526722713
Energy: 1.3997516955679132
Energy: 1.431133768395752
Energy: 1.3997516955667744
Energy: 1.2863765758017196
Energy: 1.342459660481043
Energy: 1.2857171237280176
Energy: 1.3424596604799042
Energy: 1.2190586881983052
Energy: 1.3486960908194892
Energy: 1.4794522980208222
Energy: 1.348696090820628
Energy: 1.2462012979662072
Energy: 1.2791018830122132
Energy: 1.2147097708056158
Energy: 1.2791018830122132
Energy: 1.3601216121288848
Energy: 1.3079819170274876
Energy: 1.3087491605288297
Energy: 1.3079819170286262
Energy: 1.2048966658978992
Energy: 1.3378336977500465
Energy: 1.2057060327351956
Energy: 1.3378336977511853
Energy: 1.205813320480796
Energy: 1.337374130836428
Energy: 1.2047250121667716
Energy: 1.337374130836428
Energy: 1.308746801502786
Energy: 1.3076164160149397
Energy: 1.3603432834387335
Energy: 1.3076164160149397
Energy: 1.2146474911486356
Energy: 1.2792156895867415
Energy: 1.2462012979627906
Energy: 1.2792156895867415
Energy: 1.4794522980196836
Energy: 1.3483476566620294
Energy: 1.2190801150674642
Energy: 1.3483476566631682
Energy: 1.2857171237291565
Energy: 1.3425200979207776
Energy: 1.2861960970234652
Energy: 1.3425200979207776
Energy: 1.5852890117099245
Energy: 1.4006292288226316
Energy: 1.373146927489983
Energy: 1.4006292288214925
Energy: 1.3324963604443523
Energy: 1.331029107343555
Energy: 1.2601095802446127
Energy: 1.331029107343555
Energy: 1.5151729953231858
Energy: 1.3568637712979683
Energy: 1.2191624402581533
Energy: 1.3568637712968294
Energy: 1.2603423922201726
Energy: 1.308341055650765
Energy: 1.2861181456799
Energy: 1.308341055650765
Energy: 1.2261814898189083
Energy: 1.3366369942248117
Energy: 1.3931996878033213
Energy: 1.3366369942248117
Energy: 1.2174052136132067
Energy: 1.279552562838868
Energy: 1.3466228339180182
Energy: 1.2795525628400068
Energy: 1.2231344081283362
Energy: 1.271397202606961
Energy: 1.200782671811961
Energy: 1.2713972026092388
Energy: 1.2302545650918315
Energy: 1.3564792942543977
Energy: 1.1852846940748263
Energy: 1.3564792942543977
Energy: 1.518966940692558
Energy: 1.3742112924961545
Energy: 1.336723997912293
Energy: 1.3742112924961545
Energy: 1.371688628009219
Energy: 1.2840297018869726
Energy: 1.3431952418417807
Energy: 1.2840297018858338
Energy: 1.3144364075441057
Energy: 1.3208522339405635
Energy: 1.2255253763338567
Energy: 1.3208522339405635

minimum gb energy = 1.180099863242532 eV
minimum distance =  2.28209365797322 Angstroms
sigma value = 37


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

Energy: 1.4372320281998592
Energy: 1.313077422233436
Energy: 1.7079621016015132
Energy: 1.313077422233436
Energy: 1.2851893794571128
Energy: 1.180750513880937
Energy: 1.2348111399197226
Energy: 1.180750513880937
Energy: 1.3847807777822594
Energy: 1.2547385666680215
Energy: 1.5057572222058953
Energy: 1.2547385666682218
Energy: 1.259093687177221
Energy: 1.4471277437526324
Energy: 1.272298337583361
Energy: 1.4471277437532335
Energy: 1.2890596549154636
Energy: 1.22991574202162
Energy: 1.2380315272776998
Energy: 1.2299157420214417
Energy: 1.2709065280875544
Energy: 1.3035158801609918
Energy: 1.1698798696817594
Energy: 1.3035158801604128
Energy: 1.1782531314353932
Energy: 1.260691984420351
Energy: 1.3194407464901756
Energy: 1.2606919844207294
Energy: 1.175382205556207
Energy: 1.3943365952605606
Energy: 1.2406154632126174
Energy: 1.3943365952619413
Energy: 1.1833842088422528
Energy: 1.2293492749485153
Energy: 1.254406379741687
Energy: 1.229349274949317
Energy: 1.276983039358814
Energy: 1.2589418767436236
Energy: 1.168686275967652
Energy: 1.2589418767446032
Energy: 1.2331854720841309
Energy: 1.256753706016926
Energy: 1.2638950937401376
Energy: 1.2567537060173266
Energy: 1.2078070630803959
Energy: 1.2941439168633069
Energy: 1.3322726902973703
Energy: 1.2941439168629283
Energy: 1.3816252766773507
Energy: 1.2329917640377897
Energy: 1.3594072237306487
Energy: 1.2329917640373886
Energy: 1.2855700775511973
Energy: 1.2903512474337233
Energy: 1.2499823653766822
Energy: 1.2903512474337233
Energy: 1.3731435355708896
Energy: 1.3085571403425773
Energy: 1.2363352219389643
Energy: 1.3085571403423768
Energy: 1.3628528850265438
Energy: 1.223016538338747
Energy: 1.300687909695888
Energy: 1.2230165383377674
Energy: 1.2694138338959815
Energy: 1.2588256391380923
Energy: 1.3588599689686842
Energy: 1.2588256391382928
Energy: 1.2568382533624916
Energy: 1.2636800868942093
Energy: 1.2502832902162644
Energy: 1.263680086894788
Energy: 1.232979892122424
Energy: 1.2561538031246557
Energy: 1.2340715771953363
Energy: 1.2561538031250565
Energy: 1.1944441186842876
Energy: 1.2983235730770037
Energy: 1.2332748586054647
Energy: 1.2983235730768035

minimum gb energy = 1.168686275967652 eV
minimum distance =  2.28060671674807 Angstroms
sigma value = 25


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

Energy: 1.2639257679425584
Energy: 1.178342260462185
Energy: 1.5506600213354804
Energy: 1.1783422604637146
Energy: 1.28027088890786
Energy: 1.1232028070267048
Energy: 1.2140723830899023
Energy: 1.1232028070297648
Energy: 1.2569384861509532
Energy: 1.1621285139880562
Energy: 1.2079943100639379
Energy: 1.162128513986526
Energy: 1.113504837582479
Energy: 1.1777283210241976
Energy: 1.2015318452325172
Energy: 1.1777283210226672
Energy: 1.183021580759188
Energy: 1.147343927564511
Energy: 1.0866437137443805
Energy: 1.147343927564511
Energy: 1.135483222754583
Energy: 1.2958800905409522
Energy: 1.1385884735262282
Energy: 1.2958800905409522
Energy: 1.1596933845078234
Energy: 1.1131699882692199
Energy: 1.2204460687673853
Energy: 1.1131699882692199
Energy: 1.1379788795400154
Energy: 1.2147478534746043
Energy: 1.13136324637732
Energy: 1.2147478534746043
Energy: 1.1494645557626773
Energy: 1.1440074830030074
Energy: 1.1368024981422382
Energy: 1.1440074830045375
Energy: 1.1250379114136386
Energy: 1.0751664483442458
Energy: 1.0865421245795572
Energy: 1.0751664483442458
Energy: 1.2034751960115302
Energy: 1.1412410083955942
Energy: 1.1449395216875062
Energy: 1.141241008394064
Energy: 1.1222130173877782
Energy: 1.1398163936415213
Energy: 1.1327109311880863
Energy: 1.1398163936415213
Energy: 1.171498081923756
Energy: 1.1348942083157763
Energy: 1.184176419606699
Energy: 1.1348942083157763
Energy: 1.1717574385841811
Energy: 1.1695666497559023
Energy: 1.0989115432412566
Energy: 1.1695666497559023
Energy: 1.2847613436954635
Energy: 1.1349084661572892
Energy: 1.1120385286478325
Energy: 1.1349084661557594
Energy: 1.1128097033648578
Energy: 1.1825014574737658
Energy: 1.2067925935144437
Energy: 1.182501457472236
Energy: 1.2558986284845572
Energy: 1.1629845253272726
Energy: 1.1368907412457152
Energy: 1.1629845253272726
Energy: 1.2417256663801601
Energy: 1.1168484151052203
Energy: 1.1732730109926903
Energy: 1.1168484151067501
Energy: 1.4038822685098222
Energy: 1.1541494955806102
Energy: 1.1083300256939885
Energy: 1.1541494955790803
Energy: 1.2789469555750652
Energy: 1.164562541158082
Energy: 1.1883976546140682
Energy: 1.1645625411611074
Energy: 1.2653937268871365
Energy: 1.15394197184495
Energy: 1.137059078604996
Energy: 1.15394197184495
Energy: 1.1552457551743118
Energy: 1.1419140990369212
Energy: 1.223315480290135
Energy: 1.1419140990353909
Energy: 1.284924224813202
Energy: 1.1343959072746224
Energy: 1.1108570469145242
Energy: 1.1343959072761525
Energy: 1.1122082589474687
Energy: 1.1889272642531934
Energy: 1.1451820874028054
Energy: 1.1889272642531934
Energy: 1.162371220698568
Energy: 1.13405752886
Energy: 1.1837346464799665
Energy: 1.13405752886
Energy: 1.1424177131934654
Energy: 1.2118303970239082
Energy: 1.1551065064910804
Energy: 1.211830397022378

minimum gb energy = 1.0751664483442458 eV
minimum distance =  2.27612835907948 Angstroms
sigma value = 41


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

Energy: 1.1838579633964943
Energy: 1.0833997308300367
Energy: 1.3601437519717647
Energy: 1.0833997308300367
Energy: 1.1600481540735517
Energy: 1.0995519171621333
Energy: 1.1045461338490155
Energy: 1.0995519171621333
Energy: 1.144206506760884
Energy: 1.062655518120954
Energy: 1.1459684123001124
Energy: 1.062655518117191
Energy: 1.1059505584499962
Energy: 1.2064712666716788
Energy: 1.1009257015542606
Energy: 1.2064712666704245
Energy: 1.1229816043636427
Energy: 1.0519269983787358
Energy: 1.1374424038623174
Energy: 1.0519269983787358
Energy: 1.085364313162759
Energy: 1.2276694756811024
Energy: 1.0308178615759958
Energy: 1.2276694756798479
Energy: 1.037712203263708
Energy: 1.0436165001776454
Energy: 1.0934703670070811
Energy: 1.0436165001788997
Energy: 1.0495504915491916
Energy: 1.1790744710649477
Energy: 1.0791482901671405
Energy: 1.1790744710636936
Energy: 1.083208376474478
Energy: 0.9993342711073965
Energy: 1.109362708999177
Energy: 0.9993342711086509
Energy: 1.033237614712101
Energy: 1.0946013278739855
Energy: 1.0423199818472406
Energy: 1.0946013278752396
Energy: 1.0901769136542108
Energy: 1.0403235256576349
Energy: 1.0658260745764534
Energy: 1.0403235256588894
Energy: 1.1300546552274477
Energy: 0.9580910276498669
Energy: 1.0642074190867215
Energy: 0.9580910276486124
Energy: 1.0744629221310604
Energy: 1.0010477847768064
Energy: 1.1547948471538738
Energy: 1.0010477847755521
Energy: 1.0372531527012618
Energy: 1.0145322559343768
Energy: 1.0265615827940922
Energy: 1.0145322559331225
Energy: 1.0821812025292712
Energy: 1.040861556248069
Energy: 1.0650401362811377
Energy: 1.040861556248069
Energy: 1.0091090841233066
Energy: 1.0156564489546882
Energy: 1.0555855204609248
Energy: 1.0156564489534339
Energy: 1.0742195220399307
Energy: 0.9993239936388427
Energy: 1.2271329007447864
Energy: 0.9993239936400972
Energy: 1.0837953227114845
Energy: 1.040528616947716
Energy: 1.02583313331284
Energy: 1.040528616947716
Energy: 1.0501641991105533
Energy: 1.0290170951360291
Energy: 1.1014112688562079
Energy: 1.0290170951360291
Energy: 1.0739269199256551
Energy: 1.0542176400542718
Energy: 1.1196207819504944
Energy: 1.0542176400542718
Energy: 1.1437625119338444
Energy: 1.033779515167192
Energy: 1.2575189526229147
Energy: 1.0337795151684466
Energy: 1.1641067748615566
Energy: 1.0692938016065474
Energy: 1.1066889941908553
Energy: 1.0692938016040388
Energy: 1.0909589116624432
Energy: 1.06341852665707
Energy: 1.140904611275808
Energy: 1.06341852665707
Energy: 1.202960142875941
Energy: 1.0736372437454778
Energy: 1.1183757359699806
Energy: 1.0736372437454778
Energy: 1.140302715892989
Energy: 1.0477498934746294
Energy: 1.2587131458054162
Energy: 1.0477498934746294
Energy: 1.0375984775497022
Energy: 1.0628020742337252
Energy: 1.1050361733191951
Energy: 1.0628020742349795
Energy: 1.051757266175802
Energy: 1.0148346922025604
Energy: 1.1406715640462375
Energy: 1.014834692201306
Energy: 1.116741026923243
Energy: 1.0561514161400063
Energy: 1.0695398280291346
Energy: 1.0561514161400063
Energy: 0.9979427187480163
Energy: 1.0180231181314363
Energy: 1.22695327200235
Energy: 1.0180231181301818
Energy: 1.0537641221850007
Energy: 1.1285538227967813
Energy: 1.0255997017801952
Energy: 1.1285538227980354
Energy: 1.0829540721788697
Energy: 1.0405927748486996
Energy: 0.9831100709594792
Energy: 1.040592774847445
Energy: 1.087531091030036
Energy: 1.1358946559558432
Energy: 1.0427359154714408
Energy: 1.1358946559545893

minimum gb energy = 0.9580910276486124 eV
minimum distance =  2.27810319912163 Angstroms
sigma value = 15


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

Energy: 1.114513354961679
Energy: 0.9912685273827225
Energy: 1.2183583584249886
Energy: 0.9912685273827225
Energy: 1.1199211412869334
Energy: 1.0171590733411484
Energy: 1.0706874637181576
Energy: 1.0171590733379603
Energy: 1.045277320594156
Energy: 0.9810324294392334
Energy: 1.0773477815558374
Energy: 0.9810324294392334
Energy: 1.0201965558210286
Energy: 1.0566126820464306
Energy: 1.0223611141497302
Energy: 1.0566126820453678
Energy: 1.058298014623194
Energy: 0.9458531779887424
Energy: 1.041568091892658
Energy: 0.9458531779898051
Energy: 1.050162037855222
Energy: 1.0356090152975852
Energy: 1.021511246587299
Energy: 1.0356090152965223
Energy: 1.080713388904826
Energy: 0.9593850510370229
Energy: 1.0668163972613258
Energy: 0.9593850510380856
Energy: 0.9675395648680268
Energy: 0.9975655757452824
Energy: 1.0041750347669995
Energy: 0.9975655757463451
Energy: 1.0206890615009356
Energy: 0.9604478801156597
Energy: 1.0189075146110937
Energy: 0.9604478801177849
Energy: 1.0402873911425339
Energy: 1.0019835813010765
Energy: 0.9783292430130235
Energy: 1.0019835813032016
Energy: 1.0633982471804526
Energy: 0.9141180881219866
Energy: 1.0320885101484583
Energy: 0.9141180881219866
Energy: 1.0500619890580027
Energy: 1.0079622197429672
Energy: 0.9614886868408985
Energy: 1.0079622197440299
Energy: 0.9976592016110136
Energy: 0.9537252504054442
Energy: 1.0675102264767518
Energy: 0.9537252504065067
Energy: 0.9832812439087112
Energy: 0.8842291548282017
Energy: 1.0487897625623677
Energy: 0.884229154830327
Energy: 1.1157816777274694
Energy: 0.9565910290246731
Energy: 0.9971786034630141
Energy: 0.9565910290267984
Energy: 0.9749538619993291
Energy: 0.9358855250867918
Energy: 0.9624201770792531
Energy: 0.9358855250899797
Energy: 0.9915314576329611
Energy: 0.9416099810460891
Energy: 1.1259090258297622
Energy: 0.9416099810482144
Energy: 0.9778111967038119
Energy: 0.922260614695017
Energy: 0.9606548832862383
Energy: 0.9222606146928918
Energy: 1.180976036050867
Energy: 0.9174861716924234
Energy: 0.9809709688974694
Energy: 0.9174861716902982
Energy: 0.9677083612865991
Energy: 0.9278720633450112
Energy: 1.0060071856398225
Energy: 0.927872063342886
Energy: 1.0021828435128552
Energy: 0.9641688994270647
Energy: 1.2008812722591478
Energy: 0.9641688994281273
Energy: 1.0196726844947206
Energy: 0.9678723996337988
Energy: 1.037712344465059
Energy: 0.9678723996327362
Energy: 1.248747865494643
Energy: 0.9270672765648742
Energy: 1.0287816350464944
Energy: 0.927067276562749
Energy: 1.0214893445719948
Energy: 0.9689386087056409
Energy: 1.0182179722123934
Energy: 0.9689386087024531
Energy: 1.049290857619671
Energy: 0.9772994389506471
Energy: 1.296864509953824
Energy: 0.9772994389495846
Energy: 1.0909933994670789
Energy: 0.9973511683157703
Energy: 1.0623915141254554
Energy: 0.9973511683157703
Energy: 1.1545867972611676
Energy: 0.9895274719882937
Energy: 1.0435408492341827
Energy: 0.9895274719872312
Energy: 1.1074479960008055
Energy: 0.9995390129039223
Energy: 1.065919866323731
Energy: 0.9995390129007347
Energy: 1.1423817171451986
Energy: 0.9772040644144049
Energy: 1.292872780934012
Energy: 0.9772040644154676
Energy: 1.0203876908387626
Energy: 0.9795784932727227
Energy: 1.058795055095892
Energy: 0.9795784932705974
Energy: 0.9804278342128563
Energy: 0.9600018421909717
Energy: 1.0437548287874796
Energy: 0.9600018421899091
Energy: 1.0231789492371983
Energy: 0.9876937899527559
Energy: 0.9669281198433277
Energy: 0.9876937899527559
Energy: 0.91947539157516
Energy: 0.9644054867761224
Energy: 1.200548581548408
Energy: 0.964405486777185
Energy: 0.9898767505967004
Energy: 0.980339518945065
Energy: 1.039901249770455
Energy: 0.9803395189429397
Energy: 1.180747814836222
Energy: 0.9063085318395738
Energy: 0.9281478476229238
Energy: 0.9063085318385112
Energy: 1.0303233765934232
Energy: 0.950515140890697
Energy: 0.97642472538449
Energy: 0.9505151408896343
Energy: 0.9707188593767617
Energy: 0.9414052071496432
Energy: 1.1260427750205857
Energy: 0.941405207147518

minimum gb energy = 0.8842291548282017 eV
minimum distance =  2.29285616913684 Angstroms
sigma value = 85


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

Energy: 1.1877759554802478
Energy: 0.9470201114102724
Energy: 1.1358124023533853
Energy: 0.9470201114111939
Energy: 0.977753853009983
Energy: 1.0339439859034985
Energy: 1.0096804654301534
Energy: 1.0339439859025767
Energy: 0.9450784088202739
Energy: 0.9440629600256502
Energy: 1.1203036663815595
Energy: 0.9440629600256502
Energy: 0.9226531415634794
Energy: 0.9833835066520334
Energy: 1.0054363594188107
Energy: 0.9833835066538767
Energy: 1.1130443956954583
Energy: 0.9074126950423019
Energy: 0.9364493058048526
Energy: 0.9074126950423019
Energy: 0.9218485505328141
Energy: 0.9321171551905472
Energy: 0.9364522253266766
Energy: 0.9321171551923906
Energy: 0.8690926876249656
Energy: 0.8920624035074
Energy: 0.9954111604946491
Energy: 0.8920624035064783
Energy: 0.9067830981449321
Energy: 1.0119894349622174
Energy: 0.9613319046297218
Energy: 1.0119894349576093
Energy: 0.9928971884209811
Energy: 0.8710263198863399
Energy: 0.9427650305049756
Energy: 0.8710263198872615
Energy: 0.8922801812316582
Energy: 0.926047122724215
Energy: 0.9008221499830426
Energy: 0.926047122724215
Energy: 0.8982387162038097
Energy: 0.8709281595795502
Energy: 0.9512720720257957
Energy: 0.8709281595795502
Energy: 0.8961945841192352
Energy: 0.9283439255034673
Energy: 0.9487064054890668
Energy: 0.9283439255034673
Energy: 0.9511335983929227
Energy: 0.8754605805431673
Energy: 0.9106783862659932
Energy: 0.8754605805431673
Energy: 0.9209032006350449
Energy: 0.9265799087191059
Energy: 0.9856269436213344
Energy: 0.9265799087181843
Energy: 0.9373290292795298
Energy: 0.8752528052639782
Energy: 0.9260756113198311
Energy: 0.8752528052630564
Energy: 0.9822112762576569
Energy: 0.8473294535198491
Energy: 0.9143727050270711
Energy: 0.8473294535198491
Energy: 0.9275952131716949
Energy: 0.8679561663051415
Energy: 0.9274702041141387
Energy: 0.8679561663051415
Energy: 0.9172713847994188
Energy: 0.8941895479072537
Energy: 0.9837300058364122
Energy: 0.8941895479072537
Energy: 1.0063258460143514
Energy: 0.8787108781517818
Energy: 0.9200199155931961
Energy: 0.8787108781508601
Energy: 0.8965852568904814
Energy: 0.8411958568806465
Energy: 0.8968292340893302
Energy: 0.841195856879725
Energy: 0.8968191361734736
Energy: 0.8642891298285698
Energy: 0.9313242053326096
Energy: 0.8642891298285698
Energy: 0.8860774067350619
Energy: 0.8410087697657203
Energy: 0.9011723169614001
Energy: 0.8410087697657203
Energy: 1.1381093479764617
Energy: 0.8757370806977309
Energy: 0.9291428773769213
Energy: 0.8757370806977309
Energy: 0.922788265621324
Energy: 0.8747714284816752
Energy: 0.8897082470760546
Energy: 0.8747714284816752
Energy: 0.8805565048731215
Energy: 0.901171541473598
Energy: 0.9083833385647558
Energy: 0.901171541473598
Energy: 0.9206826446127353
Energy: 0.8706635125070176
Energy: 0.9013090039836792
Energy: 0.8706635125070176
Energy: 1.214253636403375
Energy: 0.882508644874455
Energy: 0.8420662858466855
Energy: 0.8825086448753766
Energy: 1.0182935764536185
Energy: 0.8779558267380437
Energy: 0.9244386760749385
Energy: 0.8779558267380437
Energy: 0.9501906596967441
Energy: 0.9355727529272202
Energy: 1.0115684329566672
Energy: 0.9355727529262986
Energy: 0.9776124962122641
Energy: 0.8822609435686725
Energy: 0.9965083732505344
Energy: 0.8822609435695731
Energy: 1.2963250059578189
Energy: 0.9392822533518452
Energy: 0.9457152272908569
Energy: 0.9392822533518452
Energy: 1.04270852129978
Energy: 0.9034980252398845
Energy: 0.9645291861157163
Energy: 0.9034980252389629
Energy: 0.9454427266692317
Energy: 0.9355740904525809
Energy: 1.2706822465840184
Energy: 0.9355740904535024
Energy: 0.966676775016326
Energy: 0.8723554854941159
Energy: 0.9761696485204452
Energy: 0.8723554854941159
Energy: 1.2376760134035893
Energy: 0.8923433378635116
Energy: 0.9461704330362822
Energy: 0.8923433378635116
Energy: 0.9690540645633116
Energy: 0.8723433203795362
Energy: 0.8899291743503918
Energy: 0.8723433203795362
Energy: 0.8426982877671407
Energy: 0.9006154137582313
Energy: 1.1781822942985267
Energy: 0.9006154137582313
Energy: 0.8921967237163482
Energy: 0.8800950858906009
Energy: 0.9627443845828415
Energy: 0.8800950858915226
Energy: 1.137604825740485
Energy: 0.8830120652187833
Energy: 0.854149473305397
Energy: 0.8830120652187833
Energy: 0.9585196818639459
Energy: 0.7942946351043332
Energy: 0.9114601583750384
Energy: 0.79429463510249
Energy: 0.8853402855406812
Energy: 0.8647094625424818
Energy: 0.9463651216948906
Energy: 0.8647094625415603
Energy: 0.9924274298531209
Energy: 0.8421756935903268
Energy: 0.9198959507597038
Energy: 0.8421756935912484
Energy: 1.0673892397603226
Energy: 0.8428239032582652
Energy: 0.9033043441850137
Energy: 0.8428239032582652

minimum gb energy = 0.79429463510249 eV
minimum distance =  2.29379228981578 Angstroms
sigma value = 113


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

Energy: 0.014960762839738033
Energy: 0.015108307112878139
Energy: 1.4091999014155203
Energy: 0.015108307112878139
Energy: 0.01509781937518774
Energy: 0.9323111658234077
Energy: 0.01509781937518774
Energy: 0.9323111658227387
Energy: 1.4091999014141425
Energy: 0.015108307112878139
Energy: 0.014960762839068912
Energy: 0.015108307112878139
Energy: 0.01509781937518774
Energy: 0.9323111658234077
Energy: 0.01509781937518774
Energy: 0.9323111658227387
Energy: 0.014960762839738033
Energy: 0.015108307112878139
Energy: 1.4091999014155203
Energy: 0.015108307112878139
Energy: 0.01509781937518774
Energy: 0.9323111658234077
Energy: 0.01509781937518774
Energy: 0.9323111658227387

minimum gb energy = 0.014960762839068912 eV
minimum distance =  2.45227314350394 Angstroms
sigma value = 1