Model name: model_name=MEAM_LAMMPS_KoJimLee_2012_FeP__MO_179420363944_001
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=2.863645806908607
cohesive_energy=4.290547129760511
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: 0.01321670694172843
Energy: 0.013578690827917666
Energy: 2.5529336776604667
Energy: 0.013578690827917666
Energy: 0.013578690827917666
Energy: 0.014138453743075574
Energy: 0.5545931031607708
Energy: 0.014138453743075574
Energy: 2.552933677659495
Energy: 0.5545931031607708
Energy: 0.0135012060111701
Energy: 0.5545931031607708
Energy: 0.013578690827917666
Energy: 0.014138453743075574
Energy: 0.5545931031607708
Energy: 0.014138453743075574

minimum gb energy = 0.01321670694172843 eV
minimum distance =  2.47545247834039 Angstroms
sigma value = 1


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

Energy: 1.4473009833577557
Energy: 1.237587571285943
Energy: 1.2040400278231698
Energy: 1.2375875712847308
Energy: 1.4405921773982457
Energy: 0.8924549955312338
Energy: 0.93672231849647
Energy: 0.892454995532446
Energy: 1.5590069351351865
Energy: 0.9351573238674478
Energy: 0.9145040765394818
Energy: 0.9351573238674478
Energy: 1.253978731998748
Energy: 0.8935897419024679
Energy: 0.9361514429657969
Energy: 0.8935897419024679
Energy: 1.2505143083714791
Energy: 0.8934712780459391
Energy: 1.3044849900400781
Energy: 0.8934712780471514
Energy: 1.4558979876681943
Energy: 0.8982946602400061
Energy: 0.8981903294126654
Energy: 0.8982946602400061
Energy: 1.0827244526117945
Energy: 0.8983211921967453
Energy: 0.8982145405786153
Energy: 0.8983211921967453
Energy: 0.8945504647240828
Energy: 0.8962836256007973
Energy: 1.2962453661132896
Energy: 0.8962836256007973
Energy: 1.0928972619790325
Energy: 1.056956005610299
Energy: 1.2562142700910246
Energy: 1.056956005611511
Energy: 1.5073123906566137
Energy: 0.8984234083743377
Energy: 1.0918173071523416
Energy: 0.8984234083743377
Energy: 0.9119897246457566
Energy: 0.9593849348649286
Energy: 1.174496419897881
Energy: 0.9593849348649286
Energy: 0.9122304754601609
Energy: 0.9120986014983599
Energy: 1.898895136131627
Energy: 0.9120986014971476
Energy: 1.1030887659406288
Energy: 0.9593472625664321
Energy: 1.253961942721727
Energy: 0.95934726256522
Energy: 0.9334927197607875
Energy: 0.9593275109994301
Energy: 1.2532341684831663
Energy: 0.9593275110006425
Energy: 0.9230189045885145
Energy: 0.8972821578897372
Energy: 1.4433422471710198
Energy: 0.8972821578885251
Energy: 0.9333600235917514
Energy: 0.8971580290664296
Energy: 1.4434705586311227
Energy: 0.8971580290664296
Energy: 0.9376214187575527
Energy: 0.9584988189096513
Energy: 1.2531313628040326
Energy: 0.9584988189096513
Energy: 1.1032751111784052
Energy: 0.9590383483498425
Energy: 1.2528648116117842
Energy: 0.9590383483498425
Energy: 0.9048767419668046
Energy: 0.9121324847980329
Energy: 1.927311519349868
Energy: 0.9121324847980329
Energy: 0.9121012988388867
Energy: 0.9593267625503891
Energy: 1.0872022836460271
Energy: 0.9593267625516013
Energy: 1.5072645708408479
Energy: 0.8987904233172992
Energy: 1.0898691356335228
Energy: 0.8987904233172992
Energy: 1.0922431276347446
Energy: 0.8933041962665786
Energy: 1.2562342870814005
Energy: 0.8933041962653665
Energy: 0.9948816832080124
Energy: 0.8964605397481997
Energy: 1.0968965592024584
Energy: 0.8964605397469876
Energy: 1.2713519755693878
Energy: 0.8984317471485141
Energy: 0.8982078605979575
Energy: 0.8984317471485141
Energy: 1.4553438606451785
Energy: 0.8982587125883822
Energy: 0.8984117922249247
Energy: 0.8982587125883822
Energy: 1.2502164957509074
Energy: 0.8935589126966865
Energy: 1.3045042185077496
Energy: 0.8935589126966865
Energy: 1.2514985452487055
Energy: 0.8934063445891783
Energy: 0.9234886956868897
Energy: 0.8934063445891783
Energy: 1.663547466699889
Energy: 0.9351261176575693
Energy: 0.9151072149040007
Energy: 0.9351261176575693
Energy: 1.440954373506172
Energy: 0.8923655288562942
Energy: 0.9366645736717183
Energy: 0.8923655288562942
Energy: 1.2641834978288438
Energy: 0.8973730838388125
Energy: 0.9351892236811186
Energy: 0.8973730838388125
Energy: 1.4424549273271423
Energy: 0.8923557539907265
Energy: 0.9242963476833173
Energy: 0.8923557539907265
Energy: 1.4546767108308003
Energy: 0.9105296690587116
Energy: 0.9151298215012482
Energy: 0.9105296690574994
Energy: 1.2504323006640294
Energy: 0.893461647473926
Energy: 0.9785597539769918
Energy: 0.8934616474727137

minimum gb energy = 0.8923557539907265 eV
minimum distance =  2.34749307455073 Angstroms
sigma value = 1


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

Energy: 1.5798008081959996
Energy: 0.940887595795361
Energy: 0.9824373435894803
Energy: 0.940887595795361
Energy: 1.323597914496844
Energy: 0.9207131958131676
Energy: 1.0230426605220377
Energy: 0.9207131958131676
Energy: 1.3514068216243027
Energy: 0.9653726373413022
Energy: 0.9655775042822562
Energy: 0.9653726373413022
Energy: 0.9193074883304838
Energy: 0.9436387274847318
Energy: 1.0231333196941799
Energy: 0.9436387274847318
Energy: 0.9192278489005996
Energy: 0.9450023743600567
Energy: 1.4359667601611543
Energy: 0.9450023743600567
Energy: 1.351315242502389
Energy: 0.9437183988360364
Energy: 0.9437364886730202
Energy: 0.9437183988360364
Energy: 0.9679093732743275
Energy: 0.9940200284345452
Energy: 0.9435870190773129
Energy: 0.9940200284345452
Energy: 0.9437577886207146
Energy: 0.9435806706936631
Energy: 1.4352755003881406
Energy: 0.9435806706950453
Energy: 0.9662033448063593
Energy: 0.919658666407397
Energy: 1.35386823702119
Energy: 0.919658666407397
Energy: 1.022890088615767
Energy: 0.9193726532992897
Energy: 0.9193258016424147
Energy: 0.9193726532992897
Energy: 0.9450439548665035
Energy: 1.1122081967480588
Energy: 1.3545278335715987
Energy: 1.1122081967480588
Energy: 0.9443998825623496
Energy: 0.9439916016392337
Energy: 1.8148761227482415
Energy: 0.9439916016392337
Energy: 1.02331026709036
Energy: 0.9198153090889003
Energy: 1.3224856424345786
Energy: 0.9198153090875183
Energy: 1.023310267091742
Energy: 0.9196148775993003
Energy: 1.3224642885550217
Energy: 0.9196148775993003
Energy: 0.9444898538568627
Energy: 0.9439639719736271
Energy: 1.8148354206671642
Energy: 0.9439639719736271
Energy: 0.9450926613668201
Energy: 1.1122497271122067
Energy: 1.3544957409982685
Energy: 1.1122497271122067
Energy: 1.022890088617149
Energy: 0.9193677849605463
Energy: 0.9192959639694585
Energy: 0.9193677849605463
Energy: 0.9660050580642776
Energy: 0.9195869095188971
Energy: 1.3538194279580773
Energy: 0.9195869095202794
Energy: 0.9436591212964689
Energy: 0.9435816333352074
Energy: 1.4352755003881406
Energy: 0.9435816333352074
Energy: 0.9676215569129268
Energy: 0.9940704745428336
Energy: 0.9437407873371431
Energy: 0.9940704745442157
Energy: 1.3513168093317296
Energy: 0.9437614908584536
Energy: 0.9437348952079535
Energy: 0.9437614908584536
Energy: 0.9193600386454976
Energy: 0.9457558666728945
Energy: 1.4359667601625363
Energy: 0.9457558666728945
Energy: 0.9192944400998994
Energy: 0.9436718389924699
Energy: 1.0231333196955619
Energy: 0.9436718389924699
Energy: 1.3513486675299022
Energy: 0.9653806076452321
Energy: 0.9655415353801238
Energy: 0.9653806076452321
Energy: 1.3239264778622692
Energy: 0.9204948589832725
Energy: 1.0230426605206557
Energy: 0.9204948589832725
Energy: 1.5798008081959996
Energy: 0.940887595795361
Energy: 0.9824373470653938
Energy: 0.940887595795361
Energy: 1.323597914498226
Energy: 0.9207131958117855
Energy: 1.0230426605220377
Energy: 0.9207131958131676
Energy: 1.3514068216243027
Energy: 0.9653726373413022
Energy: 0.9655775042822562
Energy: 0.9653726373413022
Energy: 0.9193074883304838
Energy: 0.9436387274847318
Energy: 1.0231333196927976
Energy: 0.9436387274847318

minimum gb energy = 0.9192278489005996 eV
minimum distance =  2.33562247193177 Angstroms
sigma value = 25


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

Energy: 1.353236157506881
Energy: 1.1113061665658164
Energy: 1.0418480578407454
Energy: 1.1113061665658164
Energy: 1.4442767794269449
Energy: 0.9934099162035275
Energy: 1.0686697815043775
Energy: 0.9934099162035275
Energy: 1.46081409798015
Energy: 1.0240907164236113
Energy: 1.0242972422744072
Energy: 1.0240907164236113
Energy: 1.256027665214837
Energy: 0.9888759462063391
Energy: 1.0686926257366
Energy: 0.9888759462063391
Energy: 1.2551995811230523
Energy: 0.9885284885532258
Energy: 1.2640731350926222
Energy: 0.9885284885532258
Energy: 1.4600744761865614
Energy: 0.993414595691204
Energy: 0.9932974004328118
Energy: 0.993414595691204
Energy: 1.0203867464968692
Energy: 0.9885838777453119
Energy: 0.9932760085903796
Energy: 0.9885838777453119
Energy: 0.9980516100663743
Energy: 1.01981268826968
Energy: 1.5385349370861574
Energy: 1.01981268826968
Energy: 1.0735442585131
Energy: 1.0771811639115951
Energy: 1.2464510811678873
Energy: 1.0771811639132018
Energy: 1.0664802506846391
Energy: 0.9826908662768584
Energy: 1.2461815219705006
Energy: 0.9826908662768584
Energy: 1.06134257128055
Energy: 0.9885144416684241
Energy: 1.4487517618994097
Energy: 0.9885144416668172
Energy: 1.053012184366878
Energy: 1.0201020765707718
Energy: 1.448058917763076
Energy: 1.0201020765691649
Energy: 1.0880053539723684
Energy: 0.9828010844287722
Energy: 1.2464543075045265
Energy: 0.9828010844287722
Energy: 1.07367058646014
Energy: 1.0772498344308516
Energy: 1.2461863339311494
Energy: 1.0772498344308516
Energy: 1.0191391225587039
Energy: 1.0198543216684404
Energy: 1.7655615835611957
Energy: 1.0198543216684404
Energy: 1.0199900536820932
Energy: 0.9885472766629934
Energy: 0.9933361080087171
Energy: 0.9885472766629934
Energy: 1.7812782629028345
Energy: 0.9932841122898387
Energy: 0.9932947317990475
Energy: 0.9932841122898387
Energy: 1.2548890779928834
Energy: 0.988565928835671
Energy: 1.2646936943025426
Energy: 0.988565928835671
Energy: 1.1250567883069094
Energy: 0.9886062911845439
Energy: 1.0687217453733195
Energy: 0.9886062911845439
Energy: 1.2351451560581928
Energy: 0.9933026404129226
Energy: 1.0246288108366945
Energy: 0.9933026404129226
Energy: 1.4459761011316075
Energy: 0.9933349771614881
Energy: 1.02488935003588
Energy: 0.9933349771630947
Energy: 1.2569579586773787
Energy: 0.9827268206509827
Energy: 1.068755825956443
Energy: 0.9827268206509827
Energy: 1.4462904693714123
Energy: 1.0697893746450782
Energy: 1.0685921609340419
Energy: 1.0697893746450782
Energy: 1.6109378696764467
Energy: 1.0325786028768154
Energy: 1.0332095633375518
Energy: 1.0325786028768154
Energy: 1.2553470551757333
Energy: 0.98880948614743
Energy: 1.0156136836869858
Energy: 0.98880948614743

minimum gb energy = 0.9826908662768584 eV
minimum distance =  2.34631390028125 Angstroms
sigma value = 9


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

Energy: 1.0014985836758894
Energy: 1.0005339016342039
Energy: 1.1316986838222063
Energy: 1.0005339016342039
Energy: 1.0009040127486994
Energy: 1.0427270542046694
Energy: 1.0425461155261941
Energy: 1.0427270542048654
Energy: 1.0938702060995924
Energy: 1.0940262937383085
Energy: 1.0940177408685765
Energy: 1.0940262937381124
Energy: 1.042673831522287
Energy: 1.0426678340885802
Energy: 1.0426288316812349
Energy: 1.0426678340887763
Energy: 1.0429728771447941
Energy: 1.043479814648834
Energy: 1.0939933506801494
Energy: 1.043479814648834
Energy: 1.7951149224468441
Energy: 1.0428954096640939
Energy: 1.0426940746099886
Energy: 1.0428954096640939
Energy: 1.0425980966202597
Energy: 1.0433563303588276
Energy: 1.0429514894653
Energy: 1.0433563303592197
Energy: 1.04276387723613
Energy: 1.0435073008298856
Energy: 1.5917196166864307
Energy: 1.0435073008298856
Energy: 1.2331342194041068
Energy: 1.0432970121032
Energy: 1.0006158175209963
Energy: 1.0432970121032
Energy: 1.233716326019675
Energy: 1.0006168427650688
Energy: 1.0006409990349807
Energy: 1.0006168427650688
Energy: 1.0435867019929161
Energy: 1.1435960428290224
Energy: 1.591487214313113
Energy: 1.1435960428290224
Energy: 1.1332926757461608
Energy: 1.0005044401968166
Energy: 1.0942604442849269
Energy: 1.0005044401972085
Energy: 1.2331074557131676
Energy: 1.04267001762239
Energy: 1.0431587934613409
Energy: 1.04267001762239
Energy: 1.0939931463835695
Energy: 1.0976051665755115
Energy: 1.0939990343910377
Energy: 1.0976051665753155
Energy: 1.043158095387448
Energy: 1.0426688486574816
Energy: 1.2331074557141262
Energy: 1.0426688486576556
Energy: 1.0940724267886413
Energy: 1.000544598103697
Energy: 1.1332242819442266
Energy: 1.0005445981035008
Energy: 1.5914437132625086
Energy: 1.1435850698884142
Energy: 1.0436172018086873
Energy: 1.1435850698884142
Energy: 1.0006467615702277
Energy: 1.0006282307297012
Energy: 1.2337163260189128
Energy: 1.0006282307295051
Energy: 1.0005993710689431
Energy: 1.0432812052501916
Energy: 1.2331342194062194
Energy: 1.0432812052499956
Energy: 1.5916972658885244
Energy: 1.0434115093540484
Energy: 1.0427538462107404
Energy: 1.0434115093538523
Energy: 1.0429297450406494
Energy: 1.0433122215710775
Energy: 1.0440099997692067
Energy: 1.0433122215712736

minimum gb energy = 1.0005044401968166 eV
minimum distance =  2.32129720994611 Angstroms
sigma value = 25


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

Energy: 1.1449285400286546
Energy: 1.1015211342917137
Energy: 1.2037710298631719
Energy: 1.1015211342919562
Energy: 1.428251253073598
Energy: 1.197217714730597
Energy: 1.1609249661078267
Energy: 1.197217714731055
Energy: 1.2842739590032406
Energy: 1.1484073601276075
Energy: 1.161581483419609
Energy: 1.1484073601278497
Energy: 1.1102071200831791
Energy: 1.1887617407934117
Energy: 1.1288879125343916
Energy: 1.1887617407931692
Energy: 1.1896798788194716
Energy: 1.1968014270685357
Energy: 1.469807799970927
Energy: 1.1968014270682934
Energy: 1.5355546201072445
Energy: 1.1425989112220745
Energy: 1.142477991942774
Energy: 1.1425989112225594
Energy: 1.2875605315086625
Energy: 1.1897622090221258
Energy: 1.142847090361741
Energy: 1.1897622090218831
Energy: 1.1894715986185014
Energy: 1.2208804838700933
Energy: 1.4705476861160678
Energy: 1.2208804838700933
Energy: 1.2214766963339958
Energy: 1.1427479461141228
Energy: 1.14238009508093
Energy: 1.1427479461139072
Energy: 1.2688837464313187
Energy: 1.1433543878301933
Energy: 1.1424190806099412
Energy: 1.1433543878304357
Energy: 1.1484534571697171
Energy: 1.189162697989386
Energy: 1.464962431553622
Energy: 1.1891626979896015
Energy: 1.1887530198990888
Energy: 1.14348875427779
Energy: 1.1302353330463604
Energy: 1.1434887542780325
Energy: 1.4163084844328462
Energy: 1.1482455139537433
Energy: 1.1497013110309773
Energy: 1.148245513953501
Energy: 1.4460150148428834
Energy: 1.1965787221725999
Energy: 1.285598584936531
Energy: 1.1965787221725999
Energy: 1.3116959129366388
Energy: 1.2262912465265914
Energy: 1.2851443905934417
Energy: 1.226291246526349
Energy: 1.4278180306131092
Energy: 1.1344219334548813
Energy: 1.1290429350967437
Energy: 1.1344219334548813
Energy: 1.1889012108291481
Energy: 1.142777152419402
Energy: 1.1492911799859755
Energy: 1.142777152418917

minimum gb energy = 1.1015211342917137 eV
minimum distance =  2.30373415953936 Angstroms
sigma value = 17


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

Energy: 1.565358519329979
Energy: 1.1634166100715075
Energy: 1.2549207241513578
Energy: 1.1634166100715075
Energy: 1.3834110478298591
Energy: 1.2253076553029882
Energy: 1.2688252036680616
Energy: 1.2253076553029882
Energy: 1.3831453586406326
Energy: 1.2110953791372143
Energy: 1.1914448256957169
Energy: 1.2110953791372143
Energy: 1.1848383561979747
Energy: 1.1828534900891918
Energy: 1.2342626779424153
Energy: 1.1828534900891918
Energy: 1.2223263724140772
Energy: 1.2248309588725987
Energy: 1.417659481130348
Energy: 1.224830958873941
Energy: 1.4109836737045445
Energy: 1.1620038388574274
Energy: 1.2070205334524324
Energy: 1.1620038388574274
Energy: 1.3105450254377236
Energy: 1.1839574063525644
Energy: 1.3757236494966127
Energy: 1.1839574063525644
Energy: 1.2165315079671823
Energy: 1.1822848892362332
Energy: 1.4642810918504339
Energy: 1.1822848892375757
Energy: 1.1968130999387743
Energy: 1.2274257267550024
Energy: 1.1682582995277695
Energy: 1.2274257267550024
Energy: 1.4098409712042774
Energy: 1.1639786788457436
Energy: 1.2296230799318129
Energy: 1.1639786788457436
Energy: 1.2096952042999163
Energy: 1.2097385237382494
Energy: 1.43540645220934
Energy: 1.2097385237382494
Energy: 1.2095425554177486
Energy: 1.2278837588359035
Energy: 1.2608326795932947
Energy: 1.227883758834561
Energy: 1.394323879383981
Energy: 1.240820282463788
Energy: 1.2616092654609727
Energy: 1.240820282463788
Energy: 1.2095123830394316
Energy: 1.20996792970896
Energy: 1.244031707914709
Energy: 1.20996792970896
Energy: 1.2101067645082997
Energy: 1.17925915476106
Energy: 1.4459673318639024
Energy: 1.1792591547624025
Energy: 1.4413172562829026
Energy: 1.2276738681866812
Energy: 1.1681025680857093
Energy: 1.227673868185339
Energy: 1.2180993245101002
Energy: 1.269745802036461
Energy: 1.22733818284444
Energy: 1.2697458020351182
Energy: 1.1972291317095551
Energy: 1.2529132456061538
Energy: 1.394359773613187
Energy: 1.2529132456048113
Energy: 1.2973964489937255
Energy: 1.1628740587042532
Energy: 1.2915561775262443
Energy: 1.1628740587029107
Energy: 1.4058079799601995
Energy: 1.162403686246159
Energy: 1.3647876259627858
Energy: 1.1624036862475016
Energy: 1.1821214815512957
Energy: 1.259609726753473
Energy: 1.436883985310192
Energy: 1.259609726753473
Energy: 1.1821597855878603
Energy: 1.275910920236223
Energy: 1.2108065884449486
Energy: 1.275910920236223
Energy: 1.4162241522690755
Energy: 1.2108632634282956
Energy: 1.2108997407849704
Energy: 1.210863263426953
Energy: 1.362780785650731
Energy: 1.16849263780467
Energy: 1.3038346661434022
Energy: 1.1684926378033276
Energy: 1.3628628561034055
Energy: 1.1674295421644891
Energy: 1.3786489325061926
Energy: 1.1674295421644891
Energy: 1.411629985473429
Energy: 1.2097285219592417
Energy: 1.2110549290518358
Energy: 1.2097285219592417
Energy: 1.17912037748692
Energy: 1.2280945210987966
Energy: 1.2112281632486346
Energy: 1.2280945211001393
Energy: 1.1828723188169528
Energy: 1.1822495641001125
Energy: 1.4430071711594281
Energy: 1.1822495641001125
Energy: 1.377045912000308
Energy: 1.1624895447551047
Energy: 1.3667479850105535
Energy: 1.1624895447551047
Energy: 1.2571654928571303
Energy: 1.162117255044482
Energy: 1.2050599326873856
Energy: 1.162117255044482

minimum gb energy = 1.1620038388574274 eV
minimum distance =  2.3093690220175 Angstroms
sigma value = 53


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

Energy: 1.1943679154928815
Energy: 1.19745825003407
Energy: 1.3744163471842175
Energy: 1.19745825003407
Energy: 1.2762425778990172
Energy: 1.196033207699862
Energy: 1.1944193548720645
Energy: 1.196033207699581
Energy: 1.1942925910706799
Energy: 1.297148586914994
Energy: 1.3068063901620774
Energy: 1.29714858691531
Energy: 1.3067930783140058
Energy: 1.2971281133582009
Energy: 1.1941815094034824
Energy: 1.2971281133582009
Energy: 1.1942324000924391
Energy: 1.1973585664899087
Energy: 1.2763900747288321
Energy: 1.197358566489628
Energy: 1.3744163358129304
Energy: 1.197458250034351
Energy: 1.1943679154925653
Energy: 1.19745825003407
Energy: 1.1944193548720645
Energy: 1.196033207699581
Energy: 1.2762425778990172
Energy: 1.1960332076992648
Energy: 1.3068063901617615
Energy: 1.2971485869155912
Energy: 1.1942925909421764
Energy: 1.2971485869155912
Energy: 1.1941815094763912
Energy: 1.2971281133582009
Energy: 1.3067930783143218
Energy: 1.2971281133582009
Energy: 1.2763900747300616
Energy: 1.1973585664899087
Energy: 1.1942324000924391
Energy: 1.197358566489628
Energy: 1.1943679154925653
Energy: 1.19745825003407
Energy: 1.3744163241037202
Energy: 1.197458250034351
Energy: 1.276242577899298
Energy: 1.196033207699581
Energy: 1.1944193548720645
Energy: 1.196033207699581
Energy: 1.1942925908306354
Energy: 1.29714858691531
Energy: 1.3068063901620774
Energy: 1.297148586914994

minimum gb energy = 1.1941815094034824 eV
minimum distance =  2.31511002440971 Angstroms
sigma value = 9


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

Energy: 1.3936825530983863
Energy: 1.2862076250559429
Energy: 1.4458597278422307
Energy: 1.2862076250559429
Energy: 1.5522872874584208
Energy: 1.2781272387673985
Energy: 1.3931867114303877
Energy: 1.2781272387662546
Energy: 1.3226768060220875
Energy: 1.2510186713273241
Energy: 1.2512672517107095
Energy: 1.2510186713284681
Energy: 1.261847928826509
Energy: 1.2748647695197473
Energy: 1.3653393129615312
Energy: 1.2748647695208912
Energy: 1.3187663007112502
Energy: 1.2377446847894333
Energy: 1.5555426639190315
Energy: 1.237744684791721
Energy: 1.5198892251833978
Energy: 1.348927732687955
Energy: 1.391335369916507
Energy: 1.348927732687955
Energy: 1.381327750600064
Energy: 1.328756243916551
Energy: 1.578506873595106
Energy: 1.328756243916551
Energy: 1.2379172961891496
Energy: 1.2828410610457535
Energy: 1.3255264122210204
Energy: 1.2828410610468974
Energy: 1.3303528585186066
Energy: 1.2513949255526629
Energy: 1.286387782710834
Energy: 1.2513949255538066
Energy: 1.3980076643827226
Energy: 1.2514508102006923
Energy: 1.3497522513561204
Energy: 1.2514508101995483
Energy: 1.262522226313748
Energy: 1.3574279289278803
Energy: 1.5482109074857127
Energy: 1.3574279289278803
Energy: 1.5957283218990816
Energy: 1.3341989336338205
Energy: 1.3260664456957247
Energy: 1.3341989336338205
Energy: 1.3123359746850758
Energy: 1.2664420961315292
Energy: 1.268989398101384
Energy: 1.2664420961315292
Energy: 1.3167812377415689
Energy: 1.3252877800147773
Energy: 1.4180032201251993
Energy: 1.3252877800159213
Energy: 1.3217037854766869
Energy: 1.2830004413460476
Energy: 1.266560649376416
Energy: 1.2830004413471916
Energy: 1.5526875813060521
Energy: 1.2663902493405512
Energy: 1.2717282258372364
Energy: 1.2663902493405512
Energy: 1.4299734436134035
Energy: 1.267066466552767
Energy: 1.6179296682799538
Energy: 1.2670664665539109
Energy: 1.2657730828201454
Energy: 1.3564598062121003
Energy: 1.3451740844169187
Energy: 1.3564598062109565
Energy: 1.587487066809939
Energy: 1.3518895855354158
Energy: 1.3085473876742761
Energy: 1.351889585534272
Energy: 1.282645685968869
Energy: 1.2663187516005596
Energy: 1.2820292802569209
Energy: 1.266318751598272
Energy: 1.2369369530167147
Energy: 1.283356681603515
Energy: 1.3083964222131974
Energy: 1.2833566816012272
Energy: 1.531264907859885
Energy: 1.2375193345127273
Energy: 1.388717674810365
Energy: 1.2375193345127273
Energy: 1.4166110429479348
Energy: 1.3459146890112532
Energy: 1.3897109649446993
Energy: 1.3459146890112532
Energy: 1.3375847381620705
Energy: 1.3571478579473069
Energy: 1.4825941224295505
Energy: 1.3571478579495946
Energy: 1.2607592948683943
Energy: 1.283050640112398
Energy: 1.2508522126161685
Energy: 1.2830506401135418
Energy: 1.4917959729789716
Energy: 1.3101259528698637
Energy: 1.2513909481413534
Energy: 1.3101259528687197
Energy: 1.471818598907048
Energy: 1.2330260371312654
Energy: 1.564565795697234
Energy: 1.2330260371312654
Energy: 1.3928068217412315
Energy: 1.232876413643574
Energy: 1.5638178234774256
Energy: 1.2328764136447177
Energy: 1.4777309519024455
Energy: 1.3107951025205011
Energy: 1.2989383547769988
Energy: 1.3107951025205011
Energy: 1.2604713885113106
Energy: 1.2837096259295964
Energy: 1.2508204425529432
Energy: 1.2837096259295964
Energy: 1.311325428663739
Energy: 1.3547374849195655
Energy: 1.4886895393780466
Energy: 1.3547374849184217
Energy: 1.416816331407355
Energy: 1.2373095770243048
Energy: 1.3923393567667908
Energy: 1.2373095770254487
Energy: 1.624068407328986
Energy: 1.2373271525201883
Energy: 1.3894041437926452
Energy: 1.2373271525201883
Energy: 1.2369678980768843
Energy: 1.2837516323504197
Energy: 1.5697351358238854
Energy: 1.2837516323515634
Energy: 1.2589885950231074
Energy: 1.2665449718941513
Energy: 1.2817503993628305
Energy: 1.2665449718918635

minimum gb energy = 1.232876413643574 eV
minimum distance =  2.27072066820953 Angstroms
sigma value = 73


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

Energy: 1.444859797903212
Energy: 1.3572166224281448
Energy: 1.4953921727742367
Energy: 1.3572166224276088
Energy: 1.4695236767981246
Energy: 1.297799466351798
Energy: 1.4058501792114215
Energy: 1.297799466351798
Energy: 1.349636019855464
Energy: 1.3151005227561303
Energy: 1.2293876473872103
Energy: 1.315100522755759
Energy: 1.2765152917658682
Energy: 1.2567619651738908
Energy: 1.3727515989569183
Energy: 1.2567619651738908
Energy: 1.4298752483369923
Energy: 1.2568303475177314
Energy: 1.4592741582495952
Energy: 1.2568303475178961
Energy: 1.6705792494111846
Energy: 1.379605902069397
Energy: 1.2397504211519912
Energy: 1.3796059020690465
Energy: 1.31658482908553
Energy: 1.3001080752197534
Energy: 1.5045193201948315
Energy: 1.3001080752194027
Energy: 1.2586143850428562
Energy: 1.256782719030744
Energy: 1.3604558904953405
Energy: 1.2567827190309298
Energy: 1.5279266767997288
Energy: 1.3148109551814837
Energy: 1.3543915550497332
Energy: 1.3148109551820197
Energy: 1.2568197270140138
Energy: 1.3150945147939153
Energy: 1.3548552246120882
Energy: 1.3150945147937296
Energy: 1.2566733251088507
Energy: 1.2567408133743454
Energy: 1.6456711577415097
Energy: 1.2567408133736233
Energy: 1.5648081204542847
Energy: 1.2566973149815202
Energy: 1.4778308273614207
Energy: 1.2566973149820562
Energy: 1.4283267428036972
Energy: 1.2570507694142166
Energy: 1.238443720712564
Energy: 1.257050769413866
Energy: 1.314781376470409
Energy: 1.4229225850292813
Energy: 1.5263963602240849
Energy: 1.422922585029096
Energy: 1.2761584445576644
Energy: 1.2566601160804405
Energy: 1.264416541314889
Energy: 1.256660116079904
Energy: 1.4076036123946758
Energy: 1.3151697945421619
Energy: 1.229631893801297
Energy: 1.3151697945416254
Energy: 1.4301928174658414
Energy: 1.2382040813215072
Energy: 1.6531893329301732
Energy: 1.2382040813213218
Energy: 1.4305908806620962
Energy: 1.2381895315991762
Energy: 1.6523938978582118
Energy: 1.2381895315993623
Energy: 1.562376886475786
Energy: 1.315560128447028
Energy: 1.2646157443104562
Energy: 1.3155601284472134
Energy: 1.276034094706227
Energy: 1.2567992033281497
Energy: 1.2294054906699041
Energy: 1.2567992033279847
Energy: 1.3504654654707908
Energy: 1.2777782295394158
Energy: 1.528719683036303
Energy: 1.2777782295394158
Energy: 1.4283217523184213
Energy: 1.256842429633643
Energy: 1.2385482579382063
Energy: 1.2568424296334575

minimum gb energy = 1.2293876473872103 eV
minimum distance =  2.26832513408522 Angstroms
sigma value = 7


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

Energy: 1.5800863348583787
Energy: 1.386343036471795
Energy: 1.4858925246164492
Energy: 1.386343036471795
Energy: 1.5165174533347279
Energy: 1.3062312962917544
Energy: 1.31697769905355
Energy: 1.3062312962917544
Energy: 1.2995837063093039
Energy: 1.2794890351756303
Energy: 1.2809505163550177
Energy: 1.279489035174347
Energy: 1.3048355280565798
Energy: 1.232214006220848
Energy: 1.2803029082473179
Energy: 1.232214006220848
Energy: 1.3932835487785358
Energy: 1.2797108487967725
Energy: 1.2318007967410303
Energy: 1.279710848798056
Energy: 1.8140588453445792
Energy: 1.2318250541930895
Energy: 1.2346363561417155
Energy: 1.2318250541930895
Energy: 1.2735151360688253
Energy: 1.3139032972403053
Energy: 1.5851161392659314
Energy: 1.3139032972403053
Energy: 1.2347757181526666
Energy: 1.2320947652586394
Energy: 1.3868934150255088
Energy: 1.2320947652586394
Energy: 1.622332672511414
Energy: 1.2797507828974475
Energy: 1.3163491136774272
Energy: 1.2797507828974475
Energy: 1.279528868604064
Energy: 1.2319903197574413
Energy: 1.3051712012119712
Energy: 1.2319903197574413
Energy: 1.279453262832335
Energy: 1.279630880638902
Energy: 1.3820256564992022
Energy: 1.279630880638902
Energy: 1.7268359881173485
Energy: 1.231893873050248
Energy: 1.4957589306584766
Energy: 1.231893873050248
Energy: 1.7235258677466465
Energy: 1.2322835745119682
Energy: 1.4973898029820243
Energy: 1.2322835745119682
Energy: 1.280141812571473
Energy: 1.2799740171604508
Energy: 1.6509874509172475
Energy: 1.2799740171591676
Energy: 1.2793605737195917
Energy: 1.2319306508886447
Energy: 1.2995582529527265
Energy: 1.2319306508886447
Energy: 1.6212350586927082
Energy: 1.382055310774328
Energy: 1.314154756298942
Energy: 1.382055310774328
Energy: 1.2315311327714928
Energy: 1.232032980230172
Energy: 1.3869407876116338
Energy: 1.232032980230172
Energy: 1.231906892576499
Energy: 1.2796646079745058
Energy: 1.613463402744226
Energy: 1.2796646079745058
Energy: 1.8293488346341593
Energy: 1.2318918660095162
Energy: 1.231676943571929
Energy: 1.2318918660095162
Energy: 1.3880047765897021
Energy: 1.2802919946767333
Energy: 1.2317089471457934
Energy: 1.2802919946767333
Energy: 1.2995822644937531
Energy: 1.3139512726147462
Energy: 1.399649309286398
Energy: 1.3139512726147462
Energy: 1.2994576036568828
Energy: 1.279932427293204
Energy: 1.2844963594996872
Energy: 1.279932427293204
Energy: 1.5165609689919524
Energy: 1.3081210463581676
Energy: 1.3156838768573385
Energy: 1.3081210463581676
Energy: 1.4947648956723694
Energy: 1.2326357907652215
Energy: 1.7226378868181431
Energy: 1.2326357907652215
Energy: 1.500279817717546
Energy: 1.2316512674803344
Energy: 1.3018712578678309
Energy: 1.2316512674790512
Energy: 1.3825872389773637
Energy: 1.2802244845167132
Energy: 1.2844382491256512
Energy: 1.2802244845167132
Energy: 1.3012684714336338
Energy: 1.2321213345773432
Energy: 1.2802033844159708
Energy: 1.2321213345760598
Energy: 1.3873756587052242
Energy: 1.2800031161321657
Energy: 1.5564886334762653
Energy: 1.2800031161308822
Energy: 1.3868938774914554
Energy: 1.2317164087007757
Energy: 1.2315156783897014
Energy: 1.2317164087007757
Energy: 1.5907855387065433
Energy: 1.3322777872792784
Energy: 1.5909821116765892
Energy: 1.332277787277995
Energy: 1.2315069242317545
Energy: 1.2316944765530564
Energy: 1.3868938774927386
Energy: 1.2316944765530564

minimum gb energy = 1.2315069242317545 eV
minimum distance =  2.28835426897133 Angstroms
sigma value = 29


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

Energy: 1.1112494549128993
Energy: 1.1997866301710594
Energy: 1.4983126418220778
Energy: 1.1997866301710594
Energy: 1.5771304820027767
Energy: 1.190580306329083
Energy: 1.1976532392394932
Energy: 1.190580306329083
Energy: 1.49801964704093
Energy: 1.1676525192227238
Energy: 1.1689495943146022
Energy: 1.1676525192227238
Energy: 1.6281903796203459
Energy: 1.1998375107173243
Energy: 1.1683754313194625
Energy: 1.199837510716902
Energy: 1.663353945049821
Energy: 1.167780381603369
Energy: 1.1681802442351141
Energy: 1.167780381603369
Energy: 1.4485020142185225
Energy: 1.16889892921567
Energy: 1.1677833452825614
Energy: 1.16889892921567
Energy: 1.319359407214817
Energy: 1.1676098806768833
Energy: 1.4772191721039738
Energy: 1.1676098806773303
Energy: 1.109784078485859
Energy: 1.16921723458519
Energy: 1.8335851008329953
Energy: 1.16921723458519
Energy: 1.6150120451058312
Energy: 1.198111893097692
Energy: 1.1985937626427468
Energy: 1.1981118930981391

minimum gb energy = 1.109784078485859 eV
minimum distance =  2.34075699409517 Angstroms
sigma value = 5


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

Energy: 1.361955032302173
Energy: 1.2384308914321454
Energy: 1.5479664220067244
Energy: 1.2384308914333575
Energy: 1.356102698845559
Energy: 1.2124830793090615
Energy: 1.3198040273295002
Energy: 1.2124830793090615
Energy: 1.2750472069360814
Energy: 1.2675736532289326
Energy: 1.265951547628703
Energy: 1.267573653230145
Energy: 1.2749514206519184
Energy: 1.276783438983791
Energy: 1.343611142002944
Energy: 1.2767834389850032
Energy: 1.2065272453516882
Energy: 1.2667120222175507
Energy: 1.238680718406176
Energy: 1.2667120222175507
Energy: 1.339043051332825
Energy: 1.2961945164309732
Energy: 1.235960916900628
Energy: 1.2961945164309732
Energy: 1.3407239938821438
Energy: 1.2504155819235814
Energy: 1.3932499599384118
Energy: 1.2504155819247935
Energy: 1.3432162067760145
Energy: 1.2498825452941942
Energy: 1.518666858260605
Energy: 1.2498825452941942
Energy: 1.544092087464364
Energy: 1.2300472079581404
Energy: 1.3331761557523207
Energy: 1.2300472079581404
Energy: 1.5459984242587301
Energy: 1.2302961412261417
Energy: 1.3357298537846531
Energy: 1.2302961412249294
Energy: 1.2658248815465591
Energy: 1.2677184101944445
Energy: 1.4041702828114393
Energy: 1.267718410195657
Energy: 1.2668436132532768
Energy: 1.2675478940468206
Energy: 1.236000986478176
Energy: 1.2675478940468206
Energy: 1.3698526984727764
Energy: 1.3189112854733016
Energy: 1.234780824337901
Energy: 1.3189112854733016
Energy: 1.2243534327151626
Energy: 1.2688382868032113
Energy: 1.2349043657922807
Energy: 1.2688382868044237
Energy: 1.2470528849840576
Energy: 1.3689787469277594
Energy: 1.443990809233112
Energy: 1.368978746930184
Energy: 1.5870519165436288
Energy: 1.241147005991159
Energy: 1.3319092739835405
Energy: 1.241147005991159
Energy: 1.4394119216364023
Energy: 1.2315433797964441
Energy: 1.4605124877794533
Energy: 1.2315433797964441
Energy: 1.2450927117364248
Energy: 1.2519666249208776
Energy: 1.523912443948613
Energy: 1.2519666249220898
Energy: 1.3416245831169078
Energy: 1.2475133896478448
Energy: 1.295259517957046
Energy: 1.2475133896478448
Energy: 1.2634302162516198
Energy: 1.2670222718256312
Energy: 1.2408344733517835
Energy: 1.267022271824419
Energy: 1.264517026382087
Energy: 1.2761189568892983
Energy: 1.2961495066244735
Energy: 1.2761189568905105
Energy: 1.3544440992402749
Energy: 1.2671315162191916
Energy: 1.2498971635336218
Energy: 1.2671315162191916
Energy: 1.2752416160227293
Energy: 1.2662074582769836
Energy: 1.2517844789185617
Energy: 1.2662074582769836
Energy: 1.467062848587594
Energy: 1.2273043689945036
Energy: 1.6487336470893335
Energy: 1.2273043689945036
Energy: 1.463073751549442
Energy: 1.2277481770648062
Energy: 1.7012101594685596
Energy: 1.2277481770660186
Energy: 1.4508459301793502
Energy: 1.2658344654933942
Energy: 1.2497049457218543
Energy: 1.2658344654933942
Energy: 1.3162052089145166
Energy: 1.2655832231805604
Energy: 1.251949586469094
Energy: 1.265583223181773
Energy: 1.302643728244194
Energy: 1.2775745628591968
Energy: 1.4082829271164214
Energy: 1.2775745628604087
Energy: 1.265192360743884
Energy: 1.26731192015442
Energy: 1.238178338703098
Energy: 1.26731192015442
Energy: 1.3569973597573235
Energy: 1.3726368711186847
Energy: 1.3029558980476512
Energy: 1.3726368711186847
Energy: 1.2908387839835471
Energy: 1.2524932719304038
Energy: 1.3905811391564928
Energy: 1.2524932719291917
Energy: 1.3399962325419137
Energy: 1.2205150574431558
Energy: 1.5142319843999341
Energy: 1.2205150574419437
Energy: 1.7058271401457734
Energy: 1.2325214580523771
Energy: 1.3312547100848464
Energy: 1.2325214580523771

minimum gb energy = 1.2065272453516882 eV
minimum distance =  2.27478995948521 Angstroms
sigma value = 1


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

Energy: 1.2332082346541142
Energy: 1.184658175409714
Energy: 1.553324837116743
Energy: 1.184658175409714
Energy: 1.180125714699824
Energy: 1.1951110099493427
Energy: 1.2463967945718242
Energy: 1.1951110099510187
Energy: 1.391375511449639
Energy: 1.2452447225936674
Energy: 1.3089071926389602
Energy: 1.2452447225936674
Energy: 1.2455833019273734
Energy: 1.2457127611622247
Energy: 1.2724836493310672
Energy: 1.2457127611622247
Energy: 1.1955166051699941
Energy: 1.18477229471187
Energy: 1.1954514631036768
Energy: 1.18477229471187
Energy: 1.195979412651706
Energy: 1.2459780872537982
Energy: 1.1954133983764994
Energy: 1.2459780872537982
Energy: 1.2728182628860474
Energy: 1.2454761254784439
Energy: 1.3895120048022374
Energy: 1.2454761254784439
Energy: 1.277147139779095
Energy: 1.2451850773551532
Energy: 1.392605012181203
Energy: 1.245185077353477
Energy: 1.4792934705957261
Energy: 1.1844756870126008
Energy: 1.203980773107371
Energy: 1.1844756870126008
Energy: 1.47929347059405
Energy: 1.1844618073089328
Energy: 1.2039834127698323
Energy: 1.1844618073072566
Energy: 1.2755911679218326
Energy: 1.2452144787442223
Energy: 1.392605012181203
Energy: 1.2452144787442223
Energy: 1.2727996832021204
Energy: 1.2454889141849175
Energy: 1.3895120048005614
Energy: 1.2454889141849175
Energy: 1.1961122999444074
Energy: 1.2460347517187298
Energy: 1.1952896589724054
Energy: 1.2460347517187298
Energy: 1.1955153552599556
Energy: 1.1848042014530118
Energy: 1.195601475594384
Energy: 1.1848042014546882
Energy: 1.2454680466635306
Energy: 1.2455689150661298
Energy: 1.2724175595075549
Energy: 1.2455689150661298
Energy: 1.391375511449639
Energy: 1.2452438042286464
Energy: 1.3087968665671226
Energy: 1.2452438042286464
Energy: 1.1801941403158047
Energy: 1.1948719014738072
Energy: 1.2463872491130483
Energy: 1.1948719014754832
Energy: 1.2332082346541142
Energy: 1.184658175409714
Energy: 1.5533248364482517
Energy: 1.184658175409714
Energy: 1.180125714699824
Energy: 1.1951110099510187
Energy: 1.2463967945735002
Energy: 1.1951110099510187
Energy: 1.391375511449639
Energy: 1.2452447225936674
Energy: 1.3089071926389602
Energy: 1.2452447225936674
Energy: 1.2455833019273734
Energy: 1.2457127611622247
Energy: 1.2724836493310672
Energy: 1.2457127611622247
Energy: 1.1955166051699941
Energy: 1.18477229471187
Energy: 1.1954514631020008
Energy: 1.18477229471187
Energy: 1.195979412651706
Energy: 1.2459780872537982
Energy: 1.1954133983764994
Energy: 1.2459780872537982
Energy: 1.2728182628860474
Energy: 1.2454761254784439
Energy: 1.3895120048022374
Energy: 1.2454761254784439

minimum gb energy = 1.180125714699824 eV
minimum distance =  2.28675580118082 Angstroms
sigma value = 17


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

Energy: 1.418836423657633
Energy: 1.2189585015187516
Energy: 1.7822805359884306
Energy: 1.2189585015177156
Energy: 1.3132253301594485
Energy: 1.2240971991717249
Energy: 1.2964659334383366
Energy: 1.224097199170689
Energy: 1.2460194651131362
Energy: 1.2232961669322553
Energy: 1.237405335563552
Energy: 1.2232961669312192
Energy: 1.2739556741777553
Energy: 1.2346755545259989
Energy: 1.3800728680158014
Energy: 1.2346755545291068
Energy: 1.252455727250785
Energy: 1.2176708381010406
Energy: 1.241172719130671
Energy: 1.2176708380979326
Energy: 1.2619466723587713
Energy: 1.24920141459779
Energy: 1.2412041468491923
Energy: 1.2492014145967543
Energy: 1.227283250447142
Energy: 1.2304758089177477
Energy: 1.218095325594728
Energy: 1.2304758089167118
Energy: 1.2254455437973568
Energy: 1.2304370932993782
Energy: 1.2515218093755907
Energy: 1.2304370932983424
Energy: 1.451100352614206
Energy: 1.2067035091793983
Energy: 1.392346467494559
Energy: 1.2067035091793983
Energy: 1.4908550133102862
Energy: 1.2068668794365682
Energy: 1.3912500287686542
Energy: 1.2068668794355322
Energy: 1.285749971226077
Energy: 1.2108113390661048
Energy: 1.25187949897919
Energy: 1.2108113390650688
Energy: 1.2825619827801662
Energy: 1.2110591641914723
Energy: 1.2502244358243884
Energy: 1.2110591641904362
Energy: 1.2702374805430279
Energy: 1.2361794396386878
Energy: 1.241460849995905
Energy: 1.236179439636616
Energy: 1.226730123221544
Energy: 1.217867445715845
Energy: 1.2401961150391154
Energy: 1.217867445714809
Energy: 1.2256712383919321
Energy: 1.2569757611163468
Energy: 1.2452652739377044
Energy: 1.2569757611163468
Energy: 1.2286076370238999
Energy: 1.2305317152831232
Energy: 1.2371912435315577
Energy: 1.2305317152820874
Energy: 1.3772489842251183
Energy: 1.2124764016061895
Energy: 1.2762424592092962
Energy: 1.2124764016072254
Energy: 1.2795549492589882
Energy: 1.2199287909911445
Energy: 1.4726120517301575
Energy: 1.2199287909911445
Energy: 1.2804882973413734
Energy: 1.2009137103971197
Energy: 1.2766379634980904
Energy: 1.2009137103971197
Energy: 1.5907866717794057
Energy: 1.2154776035764363
Energy: 1.2815618325406444
Energy: 1.2154776035774721
Energy: 1.258343836737402
Energy: 1.3286181386220186
Energy: 1.3676292832076649
Energy: 1.3286181386220186
Energy: 1.226533530831358
Energy: 1.2180745903848376
Energy: 1.2250776675262218
Energy: 1.2180745903838015
Energy: 1.324866492171191
Energy: 1.302584859027579
Energy: 1.2766230160225056
Energy: 1.3025848590286149
Energy: 1.219296114231513
Energy: 1.2311120341901858
Energy: 1.2053227548670007
Energy: 1.2311120341901858
Energy: 1.2206562913518377
Energy: 1.2579985324770493
Energy: 1.292466892947933
Energy: 1.2579985324780854
Energy: 1.2476494495832609
Energy: 1.2182846941713128
Energy: 1.2240602355588979
Energy: 1.2182846941692407
Energy: 1.3306390572987468
Energy: 1.2184566574229403
Energy: 1.2868212234082717
Energy: 1.2184566574239761
Energy: 1.3838191438846241
Energy: 1.192677192881057
Energy: 1.6597806472595247
Energy: 1.192677192881057
Energy: 1.3888231250183514
Energy: 1.1933470280881564
Energy: 1.5032580141193217
Energy: 1.1933470280881564
Energy: 1.2460765502385982
Energy: 1.2185604314624086
Energy: 1.2242741824157053
Energy: 1.2185604314613725
Energy: 1.249170996005807
Energy: 1.2186778391126525
Energy: 1.2869768727425681
Energy: 1.2186778391116162
Energy: 1.2191814749244863
Energy: 1.256008428010272
Energy: 1.2484237388699226
Energy: 1.2560084280081998
Energy: 1.2207257276418735
Energy: 1.2315265748571158
Energy: 1.2032475920024723
Energy: 1.2315265748581516
Energy: 1.3019241039371867
Energy: 1.2347141718965422
Energy: 1.225625343406918
Energy: 1.2347141718975783
Energy: 1.2253312343594849
Energy: 1.2187809481576612
Energy: 1.2582266321426143
Energy: 1.2187809481566252
Energy: 1.334553812885253
Energy: 1.1987553877582309
Energy: 1.371373945169717
Energy: 1.1987553877561588
Energy: 1.6446759055674651
Energy: 1.2102073680840038
Energy: 1.2811116858632603
Energy: 1.2102073680850396
Energy: 1.3785864282820626
Energy: 1.2001306817260629
Energy: 1.2936423376051616
Energy: 1.200130681725027

minimum gb energy = 1.192677192881057 eV
minimum distance =  2.28172543102884 Angstroms
sigma value = 89


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

Energy: 1.318321118942383
Energy: 1.1369076235036435
Energy: 1.603240060196137
Energy: 1.1369076235033662
Energy: 1.219205528161944
Energy: 1.1699494651954208
Energy: 1.272212977341204
Energy: 1.1699494651951432
Energy: 1.3418480444995822
Energy: 1.1279384582562157
Energy: 1.1420501127677247
Energy: 1.1279384582559384
Energy: 1.1898529917042207
Energy: 1.1984650316525143
Energy: 1.34198786061916
Energy: 1.1984650316522678
Energy: 1.205748105498233
Energy: 1.1836992689106358
Energy: 1.185313479624201
Energy: 1.1836992689106358
Energy: 1.182409576398041
Energy: 1.3563521412878778
Energy: 1.1852916914770795
Energy: 1.3563521412884323
Energy: 1.185274086142191
Energy: 1.1280741299431176
Energy: 1.1850569216493594
Energy: 1.1280741299431176
Energy: 1.1835232841354377
Energy: 1.1956147790942107
Energy: 1.3444880471632745
Energy: 1.1956147790944875
Energy: 1.3431642525301228
Energy: 1.1838952919423131
Energy: 1.1225498721380025
Energy: 1.1838952919425902
Energy: 1.182694344984083
Energy: 1.1847150857767215
Energy: 1.1213499210282203
Energy: 1.1847150857761977
Energy: 1.26299017363998
Energy: 1.12789908693051
Energy: 1.3443975847888252
Energy: 1.1278990869310646
Energy: 1.2628405528667634
Energy: 1.128903505883964
Energy: 1.3443710697444624
Energy: 1.1289035058842412
Energy: 1.3429621610078684
Energy: 1.1840642172166738
Energy: 1.123020976584429
Energy: 1.18406421721692
Energy: 1.341586983566188
Energy: 1.184980354359858
Energy: 1.1212327696984536
Energy: 1.1849803543595805
Energy: 1.18492816153646
Energy: 1.1838817140108848
Energy: 1.2570799967033712
Energy: 1.183881714010084

minimum gb energy = 1.1212327696984536 eV
minimum distance =  2.28424872326163 Angstroms
sigma value = 13


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

Energy: 1.246363171029144
Energy: 1.1188580980980356
Energy: 1.5868301251468881
Energy: 1.1188580980957634
Energy: 1.1951251992866865
Energy: 1.1201460306677533
Energy: 1.1728388873070412
Energy: 1.1201460306677533
Energy: 1.208103774588676
Energy: 1.1028587454234582
Energy: 1.2266117941346508
Energy: 1.1028587454234582
Energy: 1.1974469306190951
Energy: 1.1066034798371116
Energy: 1.1989826535082453
Energy: 1.1066034798382478
Energy: 1.1361411861653152
Energy: 1.119912591480392
Energy: 1.1478992652978877
Energy: 1.119912591479256
Energy: 1.2680811902027969
Energy: 1.117515940127655
Energy: 1.207917605725786
Energy: 1.1175159401299275
Energy: 1.1497023086545983
Energy: 1.0863006592192854
Energy: 1.159858788235359
Energy: 1.0863006592170135
Energy: 1.1483656693120479
Energy: 1.1251277758115266
Energy: 1.1461102235185139
Energy: 1.1251277758126625
Energy: 1.1460734113157416
Energy: 1.1174021523932434
Energy: 1.1260956190416316
Energy: 1.1174021523921074
Energy: 1.2718053519184978
Energy: 1.1194868386049626
Energy: 1.2244271426563789
Energy: 1.1194868386049626
Energy: 1.1982843159922065
Energy: 1.100077692826859
Energy: 1.3039496728638178
Energy: 1.100077692826859
Energy: 1.1986062706994092
Energy: 1.1024529484119725
Energy: 1.1363093539906146
Energy: 1.1024529484119725
Energy: 1.1910707210100395
Energy: 1.0992094082410808
Energy: 1.1767246487477694
Energy: 1.0992094082399446
Energy: 1.1430492705101665
Energy: 1.1014575629027716
Energy: 1.2996457583543783
Energy: 1.1014575629027716
Energy: 1.198472723822842
Energy: 1.1000148556685596
Energy: 1.1791896226936842
Energy: 1.1000148556708318
Energy: 1.1984576475917925
Energy: 1.1020452910032155
Energy: 1.2058574728304863
Energy: 1.1020452910043514
Energy: 1.2080979976925112
Energy: 1.1174295750976706
Energy: 1.1260244864574236
Energy: 1.1174295750976706
Energy: 1.1478263811947218
Energy: 1.1196331105606523
Energy: 1.2251096650539088
Energy: 1.1196331105606523
Energy: 1.1490505044849046
Energy: 1.0870993980489447
Energy: 1.1480108663919437
Energy: 1.0870993980478085
Energy: 1.14876754063874
Energy: 1.0867573806175237
Energy: 1.1489983084954807
Energy: 1.0867573806186597
Energy: 1.2251204912807694
Energy: 1.120067000227146
Energy: 1.1484503092167797
Energy: 1.120067000227146
Energy: 1.126705109993654
Energy: 1.1172291070714497
Energy: 1.198932786770971
Energy: 1.1172291070714497
Energy: 1.2083702294226835
Energy: 1.1027766415242422
Energy: 1.1989313338120648
Energy: 1.10277664152197
Energy: 1.2032089209751748
Energy: 1.1000537508322576
Energy: 1.1983575755066913
Energy: 1.1000537508311217
Energy: 1.2496663842177358
Energy: 1.115832409509933
Energy: 1.2146450729726008
Energy: 1.115832409509933
Energy: 1.2185285018578418
Energy: 1.114331044246325
Energy: 1.3273416077444535
Energy: 1.1143310442474612
Energy: 1.1408925310030371
Energy: 1.1026775017414874
Energy: 1.198863268125906
Energy: 1.1026775017414874
Energy: 1.202405322982968
Energy: 1.099937272823963
Energy: 1.198051975585366
Energy: 1.0999372728228267
Energy: 1.2245763266170973
Energy: 1.119505601435297
Energy: 1.2428329402718785
Energy: 1.119505601434161
Energy: 1.1266781432636848
Energy: 1.1173176490835277
Energy: 1.145672491418346
Energy: 1.117317649084664
Energy: 1.1464723559607979
Energy: 1.1255965242661574
Energy: 1.1481488434100453
Energy: 1.1255965242650214
Energy: 1.158324681236411
Energy: 1.0864233056481256
Energy: 1.1495345349885726
Energy: 1.0864233056481256
Energy: 1.1542831887709242
Energy: 1.1173135194613155
Energy: 1.235648325115579
Energy: 1.1173135194613155
Energy: 1.1480461465379408
Energy: 1.119777187984682
Energy: 1.1361570487350368
Energy: 1.119777187985818
Energy: 1.1900678682374646
Energy: 1.1834438886814111
Energy: 1.1767900096713086
Energy: 1.1834438886825471

minimum gb energy = 1.0863006592170135 eV
minimum distance =  2.28220033139556 Angstroms
sigma value = 37


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

Energy: 1.1888630964139608
Energy: 1.0322306670452863
Energy: 1.4290517151567605
Energy: 1.0322306670454642
Energy: 1.2170832055931096
Energy: 1.0519026698626064
Energy: 1.108729393951966
Energy: 1.0519026698622285
Energy: 1.2253070328156004
Energy: 1.0157990842352087
Energy: 1.1404569820563017
Energy: 1.0157990842352087
Energy: 1.1477196128687661
Energy: 1.0315138727471147
Energy: 1.1086407112964167
Energy: 1.0315138727467148
Energy: 1.1031781761359556
Energy: 1.013787315281602
Energy: 1.2144571650815768
Energy: 1.013787315281602
Energy: 1.1908032783322555
Energy: 1.0563074090449889
Energy: 1.1289785132515453
Energy: 1.0563074090444113
Energy: 1.1058295588976184
Energy: 1.0158074995230062
Energy: 1.1000780810895967
Energy: 1.0158074995226065
Energy: 1.1051842456746437
Energy: 1.156462649493044
Energy: 1.1244236768612266
Energy: 1.156462649493244
Energy: 1.1124933542141258
Energy: 1.013817200003768
Energy: 1.1243545771776522
Energy: 1.0138172000035681
Energy: 1.1901059559329752
Energy: 1.0562300612064404
Energy: 1.1249953022383874
Energy: 1.0562300612068403
Energy: 1.0752278476404986
Energy: 1.015708225596202
Energy: 1.1623283108715365
Energy: 1.015708225596402
Energy: 1.0851557827736864
Energy: 1.057993391527659
Energy: 1.170396049448576
Energy: 1.0579933915274813
Energy: 1.2253418302952759
Energy: 1.014000950798481
Energy: 1.1348668755646678
Energy: 1.014000950798481
Energy: 1.0702397605043814
Energy: 1.0162755904767466
Energy: 1.1366211187516464
Energy: 1.0162755904763692
Energy: 1.1392174007953877
Energy: 1.0313511011810923
Energy: 1.2127981516004969
Energy: 1.0313511011810923
Energy: 1.1073485359089197
Energy: 1.038761099651792
Energy: 1.1668745154811822
Energy: 1.038761099651792
Energy: 1.2255771078006368
Energy: 1.013992275175578
Energy: 1.134927498081913
Energy: 1.013992275175178
Energy: 1.1474141964609645
Energy: 1.0161358795150752
Energy: 1.1362436142263805
Energy: 1.0161358795152748
Energy: 1.0753720153231907
Energy: 1.01570175419043
Energy: 1.2130608231443227
Energy: 1.01570175419063
Energy: 1.0754188061715297
Energy: 1.057514521179953
Energy: 1.2145311720855336
Energy: 1.0575145211801529

minimum gb energy = 1.013787315281602 eV
minimum distance =  2.29661710753472 Angstroms
sigma value = 25


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

Energy: 1.1193466134406092
Energy: 0.9439749555138772
Energy: 1.2615405504590271
Energy: 0.9439749555138772
Energy: 0.9947720616613279
Energy: 0.972134126371457
Energy: 1.034708924771339
Energy: 0.9721341263699308
Energy: 1.0911370881088907
Energy: 0.9282606866728693
Energy: 1.0921363738414331
Energy: 0.928260686671343
Energy: 1.0408542073473843
Energy: 0.9798832135350458
Energy: 1.034777878715325
Energy: 0.9798832135365723
Energy: 1.045220731475875
Energy: 0.9213543355094225
Energy: 1.0799472730471378
Energy: 0.9213543355078961
Energy: 1.0411152331185398
Energy: 0.9406871706093513
Energy: 1.0681225221670023
Energy: 0.940687170607825
Energy: 1.020364312989956
Energy: 0.9211883816096385
Energy: 1.0455318190608605
Energy: 0.9211883816081121
Energy: 1.0449542880513523
Energy: 0.9443168891599945
Energy: 1.0822432084665898
Energy: 0.9443168891599945
Energy: 1.0153647922720583
Energy: 0.9215833538616293
Energy: 1.0369310130657787
Energy: 0.9215833538616293
Energy: 1.0633721454217677
Energy: 0.9962658043959286
Energy: 1.0465405395892773
Energy: 0.9962658043959286
Energy: 1.0074564863143174
Energy: 0.9210202374664057
Energy: 1.0446630041274074
Energy: 0.9210202374679322
Energy: 1.0421955672755472
Energy: 0.944293826511351
Energy: 1.0677805777746003
Energy: 0.944293826511351
Energy: 1.023174215801708
Energy: 0.9216711553857789
Energy: 1.0187250138399038
Energy: 0.9216711553857789
Energy: 1.115948516756477
Energy: 0.9437668478636226
Energy: 1.0090868742670218
Energy: 0.9437668478620964
Energy: 0.9926029178414933
Energy: 0.9211505643236215
Energy: 1.0823094792038908
Energy: 0.9211505643236215
Energy: 1.0169580041389352
Energy: 0.9212546617202709
Energy: 1.0336776385396662
Energy: 0.9212546617202709
Energy: 1.0875937288276363
Energy: 0.9283611660097456
Energy: 1.0088484610803499
Energy: 0.9283611660082194
Energy: 0.9999507739495659
Energy: 0.9540148767869321
Energy: 1.0094648521860268
Energy: 0.9540148767854056
Energy: 1.0291878675411084
Energy: 0.9425120811851818
Energy: 1.084204782546137
Energy: 0.9425120811851818
Energy: 1.0388517869866765
Energy: 0.9432090435919913
Energy: 1.033423283809508
Energy: 0.943209043590465
Energy: 1.0874014377131869
Energy: 0.9285407351443372
Energy: 1.0089704248081452
Energy: 0.9285407351428109
Energy: 1.0577518797612084
Energy: 0.9382504194558058
Energy: 1.0094141406820292
Energy: 0.9382504194558058
Energy: 0.9926150225446281
Energy: 0.9213148246581359
Energy: 1.0794529305617513
Energy: 0.9213148246581359
Energy: 1.0403876546296325
Energy: 0.9208916187442285
Energy: 1.0586049989783348
Energy: 0.920891618745755
Energy: 1.0242639708415522
Energy: 0.9216418541253104
Energy: 1.0190690285776145
Energy: 0.9216418541253104
Energy: 1.0925498901428072
Energy: 0.9434416578719452
Energy: 1.009332385516864
Energy: 0.9434416578719452

minimum gb energy = 0.9208916187442285 eV
minimum distance =  2.30607560938399 Angstroms
sigma value = 41


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

Energy: 1.0410277502310488
Energy: 0.8760615430344537
Energy: 1.1386369458570353
Energy: 0.876061543035705
Energy: 0.9299882155426943
Energy: 0.8985506652047617
Energy: 0.9795692947096477
Energy: 0.8985506652047617
Energy: 0.9908006960604163
Energy: 0.8575691889798073
Energy: 0.9983619359590417
Energy: 0.8575691889798073
Energy: 0.9808814068333498
Energy: 0.924259876025988
Energy: 0.9793133953626735
Energy: 0.924259876025988
Energy: 0.9891692555410573
Energy: 0.847905765884447
Energy: 0.9822221439063819
Energy: 0.8479057658831957
Energy: 0.9807843104238864
Energy: 0.8656039886603281
Energy: 0.9637343846411082
Energy: 0.8656039886590767
Energy: 0.9947068338194742
Energy: 0.8444742186621403
Energy: 0.9853118298790519
Energy: 0.8444742186621403
Energy: 0.9806674438432935
Energy: 0.8701117616828814
Energy: 0.9635426942946386
Energy: 0.8701117616816301
Energy: 0.9876492943047174
Energy: 0.84452576154401
Energy: 0.959385475102182
Energy: 0.84452576154401
Energy: 0.9805857104296457
Energy: 0.9013787759651565
Energy: 0.9777015990537546
Energy: 0.9013787759664079
Energy: 0.9744933206799945
Energy: 0.8446683370364673
Energy: 0.9627498881210632
Energy: 0.8446683370389698
Energy: 0.968762251707025
Energy: 0.888185196700504
Energy: 0.9777006790041545
Energy: 0.888185196700504
Energy: 0.9813366666046692
Energy: 0.8446233240821022
Energy: 0.9558354837027346
Energy: 0.8446233240821022
Energy: 0.980470975891888
Energy: 0.8581781944639832
Energy: 0.9670564334509287
Energy: 0.8581781944639832
Energy: 0.9306702222378842
Energy: 0.8445558308372638
Energy: 0.9631463665249952
Energy: 0.8445558308372638
Energy: 0.930641035227262
Energy: 0.8580545519503808
Energy: 0.9947425195119779
Energy: 0.8580545519516322
Energy: 0.9986062906704625
Energy: 0.8443525474085989
Energy: 0.9233307734189596
Energy: 0.8443525474085989
Energy: 0.9772117193216958
Energy: 0.8442528156309667
Energy: 0.9413423847976817
Energy: 0.8442528156297154
Energy: 0.931039760564631
Energy: 0.847183420630018
Energy: 0.9838729643635276
Energy: 0.847183420630018
Energy: 0.9343887572260714
Energy: 0.913488330914964
Energy: 0.9365206050099886
Energy: 0.913488330914964
Energy: 0.9881296529282259
Energy: 0.8563426673197801
Energy: 0.9410391781706198
Energy: 0.8563426673185288
Energy: 0.9317285742967695
Energy: 0.8764447079419357
Energy: 0.9756084820368822
Energy: 0.8764447079419357
Energy: 0.96584535538864
Energy: 0.8754061080692049
Energy: 0.9863718663667143
Energy: 0.8754061080692049
Energy: 0.9909836769592268
Energy: 0.8789696026957231
Energy: 0.9625004028476981
Energy: 0.8789696026957231
Energy: 0.9878616578092831
Energy: 0.8563342996469911
Energy: 0.9409820607063298
Energy: 0.8563342996469911
Energy: 0.9773765206014767
Energy: 0.8575530954336308
Energy: 0.9755732790517756
Energy: 0.8575530954336308
Energy: 0.9310481821906385
Energy: 0.8473347745609414
Energy: 0.9863763898562411
Energy: 0.8473347745596901
Energy: 0.9654208323422054
Energy: 0.8553463344253092
Energy: 0.9947463230476612
Energy: 0.8553463344265605
Energy: 0.993567194230415
Energy: 0.8442625700434888
Energy: 0.9232794491055542
Energy: 0.8442625700422374
Energy: 0.9808073751946453
Energy: 0.8439505070902216
Energy: 0.9668448328080791
Energy: 0.8439505070914728
Energy: 0.9308699537396401
Energy: 0.844405037306724
Energy: 0.9584324417033199
Energy: 0.8444050373079753
Energy: 0.9307753893346224
Energy: 0.8577045253804221
Energy: 1.0022732646695163
Energy: 0.8577045253816735

minimum gb energy = 0.8439505070902216 eV
minimum distance =  2.31356910563502 Angstroms
sigma value = 15


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

Energy: 0.9681862985816881
Energy: 0.8145567127372209
Energy: 1.0433115026818447
Energy: 0.8145567127382811
Energy: 0.9228607580929877
Energy: 0.8676078247934733
Energy: 0.9143107707767173
Energy: 0.8676078247934733
Energy: 0.9136318793757914
Energy: 0.8045048520141391
Energy: 0.943522479959391
Energy: 0.8045048520151992
Energy: 0.9107136854118659
Energy: 0.816855189929886
Energy: 0.9143311302977012
Energy: 0.816855189928826
Energy: 0.9297876425731394
Energy: 0.7928909053958209
Energy: 0.9073181459434772
Energy: 0.7928909053979409
Energy: 0.9105157261877309
Energy: 0.8520805756149672
Energy: 0.9121512694598587
Energy: 0.8520805756149672
Energy: 0.9174227714745559
Energy: 0.7828261402261245
Energy: 0.9397267598360479
Energy: 0.7828261402271847
Energy: 0.903000693072591
Energy: 0.8527541590871475
Energy: 0.9122457539007154
Energy: 0.8527541590860874
Energy: 0.9322350306777971
Energy: 0.781690414566156
Energy: 0.894506754257228
Energy: 0.7816904145682761
Energy: 0.9028526375828806
Energy: 0.7984021898784276
Energy: 0.9144632266548876
Energy: 0.7984021898784276
Energy: 0.9064639923587171
Energy: 0.7817910808342681
Energy: 0.9111038462575197
Energy: 0.7817910808342681
Energy: 0.9125651682140534
Energy: 0.8181517880180414
Energy: 0.9140016398091521
Energy: 0.8181517880169813
Energy: 0.9132162402570653
Energy: 0.781882914893502
Energy: 0.8940113646066662
Energy: 0.7818829148966822
Energy: 0.9127606941441789
Energy: 0.8096938148680717
Energy: 0.9072790466509701
Energy: 0.8096938148680717
Energy: 0.9078630214260079
Energy: 0.7819368523023188
Energy: 0.8975950353748282
Energy: 0.7819368523012589
Energy: 0.9121126298149868
Energy: 0.8096889512754629
Energy: 0.9140472711090544
Energy: 0.8096889512754629
Energy: 0.909981820285709
Energy: 0.7818074609694107
Energy: 0.9058506786175815
Energy: 0.7818074609694107
Energy: 0.9197637076294147
Energy: 0.7905592668742143
Energy: 0.876717009141115
Energy: 0.7905592668742143
Energy: 0.8713243777032789
Energy: 0.781652168005767
Energy: 0.898186461615586
Energy: 0.781652168005767
Energy: 0.905313109393566
Energy: 0.7981083516975863
Energy: 0.9079873062727073
Energy: 0.7981083516975863
Energy: 0.9214361558349822
Energy: 0.7832364555642227
Energy: 0.8776960539247343
Energy: 0.7832364555652829
Energy: 0.9218252166893451
Energy: 0.8451198576033492
Energy: 0.9127153791516462
Energy: 0.8451198576044092
Energy: 0.8801116739294486
Energy: 0.7927659402698874
Energy: 0.908602921701804
Energy: 0.7927659402688273
Energy: 0.9136416381361703
Energy: 0.8576142256784485
Energy: 0.9202054027071318
Energy: 0.8576142256805687
Energy: 0.9116262349234944
Energy: 0.8013314536457145
Energy: 0.89450236750004
Energy: 0.8013314536467746
Energy: 0.8788203655873968
Energy: 0.8202056740527482
Energy: 0.9221883721249825
Energy: 0.8202056740516883
Energy: 0.90543483503937
Energy: 0.8141305582700693
Energy: 0.910412678419141
Energy: 0.8141305582690094
Energy: 0.9228595615043099
Energy: 0.8256682102248063
Energy: 0.9206239113863784
Energy: 0.8256682102258662
Energy: 0.9180591643752283
Energy: 0.8013089634252434
Energy: 0.8942930032614091
Energy: 0.8013089634252434
Energy: 0.9218060510879793
Energy: 0.8035566750156673
Energy: 0.9220705949376446
Energy: 0.8035566750156673
Energy: 0.8799061415726641
Energy: 0.792863748325356
Energy: 0.9100166455723151
Energy: 0.7928637483264162
Energy: 0.9135647541833696
Energy: 0.803022123911687
Energy: 0.9083584946189186
Energy: 0.803022123911687
Energy: 0.9171169212582644
Energy: 0.7831801913405637
Energy: 0.8772231235742071
Energy: 0.7831801913405637
Energy: 0.9199885856343535
Energy: 0.7882766479890165
Energy: 0.9044723933368692
Energy: 0.7882766479900767
Energy: 0.871030858172757
Energy: 0.7818849936789491
Energy: 0.9091772988803024
Energy: 0.7818849936778891
Energy: 0.9062510058270155
Energy: 0.7976001225888103
Energy: 0.9145748876219091
Energy: 0.7976001225877501
Energy: 0.9024094646714065
Energy: 0.7820646730152979
Energy: 0.9061800435854402
Energy: 0.7820646730142378

minimum gb energy = 0.781652168005767 eV
minimum distance =  2.31689801982543 Angstroms
sigma value = 85


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

Energy: 0.9513671647837301
Energy: 0.7585942731677683
Energy: 0.9207505990777228
Energy: 0.758594273166849
Energy: 0.8296456196911651
Energy: 0.7609129306604292
Energy: 0.8352645626624335
Energy: 0.7609129306604292
Energy: 0.8283840584950419
Energy: 0.7569412746579841
Energy: 0.9149996470918195
Energy: 0.7569412746579841
Energy: 0.8222399700193795
Energy: 0.7583561714295929
Energy: 0.8352664911810841
Energy: 0.7583561714295929
Energy: 0.8974690353720208
Energy: 0.7241115088419102
Energy: 0.828475962332932
Energy: 0.7241115088419102
Energy: 0.8223233356940952
Energy: 0.670679482762754
Energy: 0.8296451134971032
Energy: 0.670679482762754
Energy: 0.8417034711600107
Energy: 0.7256115693168873
Energy: 0.8770875715869414
Energy: 0.7256115693168873
Energy: 0.8324368770240865
Energy: 0.7692870446670859
Energy: 0.8295259372650808
Energy: 0.7692870446670859
Energy: 0.8816763677562587
Energy: 0.7078407557547338
Energy: 0.8570706883229875
Energy: 0.7078407557547338
Energy: 0.8325504377949906
Energy: 0.7817394727266489
Energy: 0.8361474661230377
Energy: 0.7817394727257296
Energy: 0.8175560405170696
Energy: 0.7078431015687143
Energy: 0.8687630107507444
Energy: 0.7078431015696337
Energy: 0.8525364986041
Energy: 0.7214618518427134
Energy: 0.8356226748882182
Energy: 0.721461851843633
Energy: 0.8411078517465544
Energy: 0.7080966779389368
Energy: 0.8346798364293206
Energy: 0.7080966779380172
Energy: 0.8522916274960556
Energy: 0.7528198122559627
Energy: 0.8511694799080568
Energy: 0.7528198122568821
Energy: 0.8140203951918318
Energy: 0.7080422290245513
Energy: 0.8451396962190872
Energy: 0.7080422290236319
Energy: 0.8463031461830968
Energy: 0.7520161829336325
Energy: 0.8508667542541343
Energy: 0.7520161829327131
Energy: 0.8178089923006165
Energy: 0.7078971376824859
Energy: 0.8343478690398691
Energy: 0.7078971376815664
Energy: 0.8520683637984113
Energy: 0.751741254226348
Energy: 0.8507927737633283
Energy: 0.751741254226348
Energy: 0.8298361325243025
Energy: 0.707922067021392
Energy: 0.8399704961508045
Energy: 0.707922067021392
Energy: 0.8175656141044215
Energy: 0.7208699307682056
Energy: 0.8497342359252428
Energy: 0.7208699307682056
Energy: 0.8166271413664918
Energy: 0.7079066462028645
Energy: 0.8072254106675045
Energy: 0.7079066462028645
Energy: 0.8329427690049518
Energy: 0.7226682932605198
Energy: 0.8363526202039179
Energy: 0.7226682932596006
Energy: 0.8124016530693885
Energy: 0.7073645664485784
Energy: 0.8547745364392575
Energy: 0.7073645664485784
Energy: 0.8326111219599146
Energy: 0.7685556927955696
Energy: 0.8251726935822892
Energy: 0.7685556927955696
Energy: 0.8445300213962802
Energy: 0.724828563593046
Energy: 0.811179485060773
Energy: 0.724828563593046
Energy: 0.8223508682894232
Energy: 0.761137422905846
Energy: 0.8296881185564274
Energy: 0.761137422905846
Energy: 0.8317143195136757
Energy: 0.7240758539891954
Energy: 0.8291531549076403
Energy: 0.7240758539901149
Energy: 0.8416286837999609
Energy: 0.764469523888352
Energy: 0.816187512921592
Energy: 0.764469523888352
Energy: 0.8268974976322317
Energy: 0.7567942103482888
Energy: 0.8296469619554036
Energy: 0.7567942103473694
Energy: 0.8127924685328122
Energy: 0.7604432374760495
Energy: 0.835319044926404
Energy: 0.7604432374751302
Energy: 0.8642588650824671
Energy: 0.7585326620432424
Energy: 0.8306733233886126
Energy: 0.7585326620432424
Energy: 0.8626571723395985
Energy: 0.7265259011539122
Energy: 0.8158129668587102
Energy: 0.7265259011548317
Energy: 0.8268009998451132
Energy: 0.7568420152742114
Energy: 0.8296769281065679
Energy: 0.7568420152742114
Energy: 0.8222478228306551
Energy: 0.7074861843711983
Energy: 0.8352018569868053
Energy: 0.7074861843721179
Energy: 0.8309381637912413
Energy: 0.7241086736326202
Energy: 0.8305238420049178
Energy: 0.7241086736335397
Energy: 0.841633358265115
Energy: 0.7076668897451134
Energy: 0.8249480310675029
Energy: 0.707666889744194
Energy: 0.8417472406903656
Energy: 0.7247380844560986
Energy: 0.811160104294485
Energy: 0.7247380844570179
Energy: 0.8331438432183421
Energy: 0.7072161184803559
Energy: 0.8297027480864072
Energy: 0.7072161184812752
Energy: 0.8124992550347585
Energy: 0.7075087141260246
Energy: 0.8545798785476031
Energy: 0.7075087141260246
Energy: 0.8351799069460488
Energy: 0.7070545333912261
Energy: 0.8498999844625917
Energy: 0.7070545333921455
Energy: 0.8148837729196537
Energy: 0.7073803527129894
Energy: 0.8071701528046288
Energy: 0.7073803527139089
Energy: 0.8525174422128627
Energy: 0.7226520070978754
Energy: 0.8359952092643345
Energy: 0.7226520070978754
Energy: 0.8296822430981122
Energy: 0.7065810065225354
Energy: 0.836943960738395
Energy: 0.7065810065234549

minimum gb energy = 0.670679482762754 eV
minimum distance =  2.3251399583549 Angstroms
sigma value = 113


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

Energy: 0.014952163102543976
Energy: 0.015171218883917254
Energy: 1.4752371697220303
Energy: 0.015171218883917254
Energy: 0.015607817304626664
Energy: 0.681104809617478
Energy: 0.015607817306040212
Energy: 0.681104809617478
Energy: 1.4752371697220303
Energy: 0.015171218883917254
Energy: 0.014952163102543976
Energy: 0.015171218883917254
Energy: 0.015607817306040212
Energy: 0.6811048096181846
Energy: 0.015607817305333437
Energy: 0.681104809617478
Energy: 0.014952163102543976
Energy: 0.015171218883917254
Energy: 1.4752371697220303
Energy: 0.015171218883917254
Energy: 0.015607817305333437
Energy: 0.681104809617478
Energy: 0.015607817305333437
Energy: 0.681104809617478

minimum gb energy = 0.014952163102543976 eV
minimum distance =  2.4580277653631 Angstroms
sigma value = 1