Model name: model_name=EAM_NN_Johnson_1988_Cu__MO_887933271505_003
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.61472986638546
cohesive_energy=3.54027843849752
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 2.76878552828076e-19, 3.1904143312842e-19, 3.5451362380517994e-19, 3.8490691455216e-19, 4.1124990276838794e-19, 4.34250750526092e-19, 4.54423756524786e-19, 4.721582496865319e-19, 4.8775864357179e-19, 5.01463662499026e-19, 5.13475180724124e-19, 5.23953415910484e-19, 5.3303775742526395e-19, 5.40845164162746e-19, 5.47476573250872e-19, 5.53020104404512e-19, 5.57552662102098e-19, 5.61141537762258e-19, 5.6384601192045e-19, 5.6572055858223e-19, 5.66814845223252e-19, 5.67170528436e-19, 5.667892103971079e-19, 5.65558738742196e-19, 5.633317132209359e-19, 5.599334965802219e-19, 5.84600608037286e-19, 5.795938060560359e-19, 5.72792566244706e-19, 5.6385722715688795e-19, 5.52377631574278e-19, 5.3785229821043395e-19, 5.196643890612659e-19, 4.97054472402258e-19, 4.6907726401935e-19, 4.34540744496846e-19, 3.91945276505322e-19, 3.3936023720080794e-19, 2.7429744627070197e-19, 1.93491667734912e-19, 9.2610615975102e-20, 8.87163654485016e-20, -4.76745281389674e-20, -2.2119009738350397e-19, -4.441089433550939e-19, -7.3385297455419e-19, -1.1156388490233178e-18, -1.5097983336368279e-18, -2.14374437982468e-18, -2.6998919330187602e-18, -3.4383992306947195e-18, -3.0094965457729197e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013656797957354505
Energy: -1.0407733358173137
Energy: -0.8119571949847588
Energy: -1.040773335816721
Energy: -1.0407733358173137
Energy: 1.626833251194869
Energy: -1.040773335816721
Energy: 1.626833251194869
Energy: -0.8119571949847588
Energy: -1.0407733358173137
Energy: 0.013656797957354505
Energy: -1.0407733358185682
Energy: -1.0407733358179407
Energy: 1.626833251194869
Energy: -1.0407733358173137
Energy: 1.626833251194869

minimum gb energy = -1.0407733358185682 eV
minimum distance =  2.24896205513958 Angstroms
sigma value = 1


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

Energy: 1.0913094311991525
Energy: 0.15364816597133668
Energy: 0.046967523310573134
Energy: 0.1536481659720975
Energy: 0.23095412254862968
Energy: 0.1956182273346956
Energy: 0.1797334425258825
Energy: 0.1956182273346956
Energy: 0.1082906852271729
Energy: 0.1581878310365322
Energy: 0.9710504265613581
Energy: 0.1581878310357714
Energy: 0.14841325513467454
Energy: 0.16951648987540405
Energy: 0.15471042653548467
Energy: 0.16951648987540405
Energy: 0.9177765322812006
Energy: 0.18271664707111326
Energy: 0.04283616335227823
Energy: 0.18271664707187404
Energy: 0.036866625157188325
Energy: 0.41996954392785496
Energy: 0.17494427195772796
Energy: 0.41996954392785496
Energy: 0.1198370038506172
Energy: 0.35977197684825196
Energy: 0.7341971729076227
Energy: 0.35977197684825196
Energy: 0.1523386251492137
Energy: 0.3337019220318078
Energy: 0.0772192973691681
Energy: 0.3337019220318078
Energy: 0.5395818546130964
Energy: 0.49650859654292767
Energy: 0.11617771301680875
Energy: 0.49650859654292767
Energy: -0.022594199707984174
Energy: 0.6536904149197335
Energy: 0.07973478402090206
Energy: 0.6536904149197335
Energy: 0.5524807341528953
Energy: 0.4701146841626145
Energy: 0.3549684279736458
Energy: 0.4701146841626145
Energy: 0.11710713368123941
Energy: 0.623193377150728
Energy: 0.07250282648057614
Energy: 0.623193377150728
Energy: 0.2153946704878502
Energy: 0.3020435797069023
Energy: 0.2879648891848656
Energy: 0.3020435797069023
Energy: 0.08256021631652687
Energy: 0.27140909446041456
Energy: 0.16950797598814457
Energy: 0.27140909446041456
Energy: 0.34938673529276926
Energy: 0.19502606002188655
Energy: 0.06030817177078508
Energy: 0.19502606002188655
Energy: 0.18027524457120847
Energy: 0.1508660072615364
Energy: 0.14818970438609033
Energy: 0.15086600726077562
Energy: 0.050771118253659736
Energy: 0.26062318187807765
Energy: 0.37231739585102985
Energy: 0.2606231818788384
Energy: 0.13942845630089817
Energy: 0.16349332900783206
Energy: 0.32017168616052744
Energy: 0.16349332900707123
Energy: 0.3840237235443723
Energy: 0.016734500736878224
Energy: 0.06230284855837723
Energy: 0.01673450073839981
Energy: 0.15675853777861876
Energy: 0.14962832227746672
Energy: 0.14194308053092838
Energy: 0.1496283222782275
Energy: 0.06071118047159852
Energy: 0.15380022696213289
Energy: 0.8796173435241134
Energy: 0.1538002269628937
Energy: 0.09514186568953642
Energy: 0.16062325847498904
Energy: 0.07910352094312374
Energy: 0.16062325847498904
Energy: 0.8127323242588794
Energy: 0.3433270425517762
Energy: 0.12910119519529276
Energy: 0.3433270425517762
Energy: 0.010427804537430516
Energy: 0.4348620786472741
Energy: 0.13737599457885166
Energy: 0.43486207864803494
Energy: 0.06850422643747178
Energy: 0.4804517092707123
Energy: 0.5175589208462932
Energy: 0.4804517092707123
Energy: 0.06132621233291757
Energy: 0.518288979820803
Energy: 0.09551102377305425
Energy: 0.5182889798215639
Energy: 0.33681284412187396
Energy: 0.474310015567502
Energy: -0.02808809536089016
Energy: 0.474310015567502
Energy: 0.023821259823123653
Energy: 0.4488953501248774
Energy: 0.07149784809424058
Energy: 0.4488953501248774
Energy: 0.1476388843360139
Energy: 0.4460105725162395
Energy: 0.19733905010265623
Energy: 0.4460105725154786
Energy: 0.1753169992612748
Energy: 0.3519938056656552
Energy: 0.12733274447062665
Energy: 0.3519938056656552
Energy: 0.06720929552641756
Energy: 0.19600997653716473
Energy: 0.3413477616671255
Energy: 0.19600997653716473
Energy: 0.1542110018805895
Energy: 0.2032934865980243
Energy: 0.1650487950376245
Energy: 0.2032934865980243
Energy: 0.26767269378346487
Energy: 0.12746871648179425
Energy: 0.037492007677064475
Energy: 0.12746871648027266

minimum gb energy = -0.02808809536089016 eV
minimum distance =  2.27010895892275 Angstroms
sigma value = 1


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

Energy: 1.1422650144008417
Energy: 0.1376350966357054
Energy: 0.1276483087439644
Energy: 0.1376350966400426
Energy: 0.3985666164862674
Energy: 0.3960562096518479
Energy: 0.3037620058336677
Energy: 0.3960562096509805
Energy: 0.10626077279573315
Energy: 0.19879283901624323
Energy: 1.0946982214108083
Energy: 0.19879283901624323
Energy: 0.18438602741846113
Energy: 0.31985014084743807
Energy: 0.2831726146286291
Energy: 0.3198501408483055
Energy: 0.8063633436161005
Energy: 0.29600218059223105
Energy: 0.1572941691092001
Energy: 0.29600218059223105
Energy: 0.12865577839562736
Energy: 0.5154795679078803
Energy: 0.15478817902790706
Energy: 0.5154795679078803
Energy: 0.29881634078248825
Energy: 0.5037424803706476
Energy: 0.6775340728395454
Energy: 0.5037424803706476
Energy: 0.28562153246558786
Energy: 0.6627138167850866
Energy: 0.09408079187964814
Energy: 0.6627138167850866
Energy: 0.4790513813452253
Energy: 0.5239487503302659
Energy: 0.3898800874546119
Energy: 0.5239487503293984
Energy: 0.18296129797383606
Energy: 0.6623323379413668
Energy: 0.20542542289434265
Energy: 0.6623323379404994
Energy: 0.5627858537531377
Energy: 0.48032902846230097
Energy: 0.2834873500958914
Energy: 0.4803290284631684
Energy: 0.23405873963578627
Energy: 0.3918228125029025
Energy: 0.20974490935340406
Energy: 0.3918228125020351
Energy: 0.1551213144190299
Energy: 0.23238781957772578
Energy: 0.45086705136258465
Energy: 0.23238781957685833
Energy: 0.17215744330125576
Energy: 0.1605658864241568
Energy: 0.2459074582162209
Energy: 0.1605658864241568
Energy: 0.5719812696680862
Energy: 0.17462247637503261
Energy: 0.15200090795755086
Energy: 0.17462247637503261
Energy: 0.3365211800211393
Energy: 0.1890489447788787
Energy: 0.26377288662193327
Energy: 0.1890489447780113
Energy: 0.14759744671060224
Energy: 0.20165319882277352
Energy: 0.46572853456946195
Energy: 0.20165319882017124
Energy: 0.11066733215266973
Energy: 0.15675454434886826
Energy: 0.30736948695609595
Energy: 0.15675454434886826
Energy: 0.7544556994010257
Energy: 0.25702563306249376
Energy: 0.11278771361098835
Energy: 0.25702563306249376
Energy: 0.1308650130710056
Energy: 0.24034827320581797
Energy: 0.23579312948738537
Energy: 0.24034827320581797
Energy: 0.17121632897391573
Energy: 0.44299260584829553
Energy: 0.6913216523426102
Energy: 0.44299260584829553
Energy: 0.10990143586573299
Energy: 0.5704846028802363
Energy: 0.2456208873081227
Energy: 0.5704846028793688
Energy: 0.4611097322813634
Energy: 0.5371788094051761
Energy: 0.29470237386284637
Energy: 0.5371788094043086
Energy: 0.14153978288950683
Energy: 0.5878765537191453
Energy: 0.16755961551906226
Energy: 0.5878765537191453
Energy: 0.25588698890028716
Energy: 0.47033461454622427
Energy: 0.3498064745462621
Energy: 0.47033461454622427
Energy: 0.27687080189270424
Energy: 0.33302848547624714
Energy: 0.2401519674929338
Energy: 0.33302848547624714
Energy: 0.16981017770929005
Energy: 0.2936337745599141
Energy: 0.3897903295270947
Energy: 0.2936337745599141
Energy: 0.2181642472750478
Energy: 0.2519095300938702
Energy: 0.21737428556401198
Energy: 0.2519095300938702
Energy: 0.32614274262031273
Energy: 0.15215192074667144
Energy: 0.16227525885745686
Energy: 0.152151920745804

minimum gb energy = 0.09408079187964814 eV
minimum distance =  2.26700825266822 Angstroms
sigma value = 25


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

Energy: 1.0373504697587574
Energy: 0.23606673925330834
Energy: 0.24090658650013713
Energy: 0.23606673925229996
Energy: 0.2464149350532641
Energy: 0.3580758054308886
Energy: 0.36370377614020727
Energy: 0.3580758054308886
Energy: 0.2773029707530425
Energy: 0.20103863404108985
Energy: 0.9262381518788612
Energy: 0.2010386340390731
Energy: 0.3127840461001395
Energy: 0.5710471741887666
Energy: 0.43359558042008794
Energy: 0.5710471741887666
Energy: 0.7756700978386868
Energy: 0.3802054615294125
Energy: 0.2885271545455754
Energy: 0.3802054615294125
Energy: 0.2320107389055084
Energy: 0.6030157767042615
Energy: 0.16251244085148558
Energy: 0.603015776703253
Energy: 0.3133290778827715
Energy: 0.6279064136959653
Energy: 0.5506042144026954
Energy: 0.6279064136959653
Energy: 0.3038293255577486
Energy: 0.6515446574741248
Energy: 0.2361619235271784
Energy: 0.6515446574731166
Energy: 0.45224919121895507
Energy: 0.5546819582898335
Energy: 0.7076309614004814
Energy: 0.5546819582898335
Energy: 0.30752375348742256
Energy: 0.5309154955902157
Energy: 0.30442076584180044
Energy: 0.5309154955902157
Energy: 0.4182424162546366
Energy: 0.3898558612192644
Energy: 0.22959076073513712
Energy: 0.389855861218256
Energy: 0.3162199796710925
Energy: 0.23500852387841203
Energy: 0.19049007165567797
Energy: 0.23500852387841203
Energy: 0.24933484399682476
Energy: 0.23489065772320353
Energy: 0.9096609380057615
Energy: 0.23489065772320353
Energy: 0.41149744897973756
Energy: 0.3762533466992894
Energy: 0.42844787561155917
Energy: 0.3762533466992894
Energy: 0.8664479214473472
Energy: 0.24398378575610727
Energy: 0.266810725449331
Energy: 0.24398378575711568
Energy: 0.42681639846940594
Energy: 0.4848206572619184
Energy: 0.28712031945245575
Energy: 0.4848206572629268
Energy: 0.21360412685434002
Energy: 0.33520312864511786
Energy: 0.537867274278661
Energy: 0.3352031286441095
Energy: 0.30176130792046146
Energy: 0.3644683741405655
Energy: 0.28576277538167105
Energy: 0.3644683741405655
Energy: 0.5520014928653106
Energy: 0.5644179330828727
Energy: 0.32907526868405673
Energy: 0.5644179330818644
Energy: 0.27589499525087746
Energy: 0.6586826367467976
Energy: 0.2872425827786525
Energy: 0.6586826367467976
Energy: 0.3194893293231142
Energy: 0.515922232397316
Energy: 0.5059337128321001
Energy: 0.5159222323983245
Energy: 0.3830665582321179
Energy: 0.4685938338777242
Energy: 0.22851056392211522
Energy: 0.4685938338767159
Energy: 0.26432058817484266
Energy: 0.4073885064763715
Energy: 0.29652892275800696
Energy: 0.4073885064763715
Energy: 0.19557744460112406
Energy: 0.3017738757578586
Energy: 0.32482903582879447
Energy: 0.3017738757578586
Energy: 0.5152927622965378
Energy: 0.3028846942047548
Energy: 0.25626610613290973
Energy: 0.3028846942047548

minimum gb energy = 0.16251244085148558 eV
minimum distance =  2.2242744941667 Angstroms
sigma value = 9


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

Energy: 0.954306685874211
Energy: 0.33237962135517646
Energy: 0.4795398247411252
Energy: 0.33237962135517646
Energy: 0.3403548535242235
Energy: 0.5067770123568974
Energy: 0.3836492956092377
Energy: 0.5067770123556945
Energy: 0.36160062481196287
Energy: 0.36462499436804185
Energy: 0.8983892845530154
Energy: 0.3646249943728535
Energy: 0.3488419563673962
Energy: 0.7272527825047582
Energy: 0.41167063449452757
Energy: 0.7272527825047582
Energy: 0.8135033815574597
Energy: 0.516993280963394
Energy: 0.42405619013729606
Energy: 0.516993280964597
Energy: 0.34496009206764305
Energy: 0.6683330207172392
Energy: 0.3374279241273441
Energy: 0.6683330207160364
Energy: 0.5750426718965866
Energy: 0.6798770912648685
Energy: 0.6048644375822069
Energy: 0.6798770912648685
Energy: 0.37421816855994067
Energy: 0.6473398191724112
Energy: 0.33419493968790703
Energy: 0.6473398191724112
Energy: 0.35188447752647795
Energy: 0.47310125838365363
Energy: 0.5984926117008742
Energy: 0.47310125838485656
Energy: 0.3026649276411574
Energy: 0.44438249419799347
Energy: 0.4617911109216819
Energy: 0.44438249419799347
Energy: 0.8279605825957198
Energy: 0.28558249348580983
Energy: 0.2651502277168103
Energy: 0.28558249348580983
Energy: 0.45651488533957363
Energy: 0.45002003364010257
Energy: 0.2641816212611525
Energy: 0.45002003364010257
Energy: 0.327942110329344
Energy: 0.3636717537928083
Energy: 0.8766711841292097
Energy: 0.3636717537928083
Energy: 0.3084837133981117
Energy: 0.4793886960698645
Energy: 0.5814161993210408
Energy: 0.4793886960698645
Energy: 0.8582349415036733
Energy: 0.44557862337537585
Energy: 0.41825851459415747
Energy: 0.44557862337537585
Energy: 0.3674639607585432
Energy: 0.5880290224333284
Energy: 0.45694138107788884
Energy: 0.5880290224333284
Energy: 0.49171556252024684
Energy: 0.6427360720111283
Energy: 0.5055092432997822
Energy: 0.6427360720111283
Energy: 0.5570170217375209
Energy: 0.6415563252499193
Energy: 0.3379841026711809
Energy: 0.6415563252499193
Energy: 0.3713348802318555
Energy: 0.4734837282694578
Energy: 0.5234575916648926
Energy: 0.4734837282694578
Energy: 0.25326214381598483
Energy: 0.40771570610044877
Energy: 0.5482900669617702
Energy: 0.40771570610044877
Energy: 0.6358368617265567
Energy: 0.32536137034819457
Energy: 0.24752177785962787
Energy: 0.32536137034699164

minimum gb energy = 0.24752177785962787 eV
minimum distance =  2.26282348451891 Angstroms
sigma value = 25


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

Energy: 1.1388232201236974
Energy: 0.6635386598680949
Energy: 0.5008496578427848
Energy: 0.6635386598680949
Energy: 0.4471785053378224
Energy: 0.6500470327166563
Energy: 0.4186711140199067
Energy: 0.6500470327166563
Energy: 0.5077854133346573
Energy: 0.505917774679183
Energy: 1.0318554019361084
Energy: 0.505917774679183
Energy: 0.5543922812366838
Energy: 0.6082047794999769
Energy: 0.43929460682631893
Energy: 0.6082047794999769
Energy: 0.7053210892168276
Energy: 0.5706776727697954
Energy: 0.4627960369375232
Energy: 0.5706776727697954
Energy: 0.4836625235403187
Energy: 0.799353922105736
Energy: 0.4190713968190977
Energy: 0.799353922105736
Energy: 0.5852980142504709
Energy: 0.6560329976729151
Energy: 0.6174993233852228
Energy: 0.6560329976729151
Energy: 0.5693104167071895
Energy: 0.6004448258142846
Energy: 0.4263578506198491
Energy: 0.6004448258142846
Energy: 0.39688581422630365
Energy: 0.4723081824415026
Energy: 0.7708982456871468
Energy: 0.4723081824415026
Energy: 0.4496157701822631
Energy: 0.5638659266342346
Energy: 0.7155737315285668
Energy: 0.5638659266342346
Energy: 0.8419722753472932
Energy: 0.5642881404611845
Energy: 0.4986111301154666
Energy: 0.5642881404611845
Energy: 0.7489248665790335
Energy: 0.6038207975421042
Energy: 0.5442440474070306
Energy: 0.6038207975421042
Energy: 0.42592962483123187
Energy: 0.6528531906238673
Energy: 0.7292470045230451
Energy: 0.6528531906223797
Energy: 0.4595646147008275
Energy: 0.7234501510885498
Energy: 0.5268241585058789
Energy: 0.7234501510885498
Energy: 0.5854550609163595
Energy: 0.6081340706225131
Energy: 0.5715848420432521
Energy: 0.6081340706225131
Energy: 0.45308308322819035
Energy: 0.669039894230831
Energy: 0.5732970205238775
Energy: 0.669039894230831
Energy: 0.7310729947091784
Energy: 0.5462186749152782
Energy: 0.3698966029547256
Energy: 0.5462186749152782

minimum gb energy = 0.3698966029547256 eV
minimum distance =  2.26404403600082 Angstroms
sigma value = 17


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

Energy: 1.0792544200961882
Energy: 0.7695536240672475
Energy: 0.9990527939521118
Energy: 0.7695536240664049
Energy: 0.5189035020271464
Energy: 0.6939027807624191
Energy: 0.634819265749393
Energy: 0.6939027807624191
Energy: 0.5330475629322609
Energy: 0.6453837532652195
Energy: 0.9683936181714417
Energy: 0.6453837532660621
Energy: 0.6009489712905055
Energy: 0.778584759824067
Energy: 0.6174071324542885
Energy: 0.778584759824067
Energy: 0.6524915157756601
Energy: 0.8549733034443385
Energy: 0.5716526807329166
Energy: 0.8549733034443385
Energy: 0.5108016977384436
Energy: 0.8652075850758575
Energy: 0.5273304182848606
Energy: 0.8652075850767
Energy: 0.8227957662384798
Energy: 0.6846261517628963
Energy: 0.6225153061409902
Energy: 0.6846261517628963
Energy: 0.6822158123793571
Energy: 0.7602239920972603
Energy: 0.4425126396200247
Energy: 0.7602239920972603
Energy: 0.5802659878149964
Energy: 0.7768056353340932
Energy: 0.8754307913876801
Energy: 0.7768056353357783
Energy: 0.6793584901954587
Energy: 0.7661430837766152
Energy: 0.7691348563967331
Energy: 0.7661430837757728
Energy: 0.8396223268684794
Energy: 0.7783094802635394
Energy: 0.49215184735735124
Energy: 0.778309480262697
Energy: 0.5890002806734989
Energy: 0.8396473777837226
Energy: 0.5330536722371799
Energy: 0.8396473777845651
Energy: 0.7434218435242146
Energy: 0.715204306200787
Energy: 0.6933980224861325
Energy: 0.715204306200787
Energy: 0.7132204281410308
Energy: 0.7722699462781284
Energy: 0.48113300450717267
Energy: 0.7722699462781284
Energy: 0.5609129647491261
Energy: 0.6655811160474805
Energy: 0.8618682403897244
Energy: 0.665581116046638
Energy: 0.5481470734155901
Energy: 0.637462898677572
Energy: 0.9179458545710356
Energy: 0.637462898677572
Energy: 0.7984645846944857
Energy: 0.6673305358563792
Energy: 0.509858702324037
Energy: 0.6673305358563792
Energy: 0.8175110817640814
Energy: 0.6197011394633412
Energy: 0.6486269424524405
Energy: 0.6197011394633412
Energy: 0.5201005148691829
Energy: 0.8771002395596029
Energy: 0.5562163615095325
Energy: 0.8771002395596029
Energy: 0.737369131931605
Energy: 0.859636645838653
Energy: 0.5986255133431568
Energy: 0.8596366458378103
Energy: 0.5664932678017243
Energy: 0.8027111457554232
Energy: 0.6167289673698336
Energy: 0.8027111457545808
Energy: 0.5050396848841391
Energy: 0.7287496619288956
Energy: 0.8656201009123052
Energy: 0.728749661928053
Energy: 0.7114869007286514
Energy: 0.8059814834184221
Energy: 0.537803928255218
Energy: 0.8059814834184221
Energy: 0.9127008113346315
Energy: 0.6736065640996675
Energy: 0.6380557002163897
Energy: 0.6736065640988249
Energy: 0.4974330269736942
Energy: 0.7649104136801947
Energy: 0.539771511686176
Energy: 0.7649104136801947
Energy: 0.5925953719629466
Energy: 0.760783349080702
Energy: 0.7204626259634255
Energy: 0.760783349080702
Energy: 0.5030779800987605
Energy: 0.9060974404096457
Energy: 0.5889528776082092
Energy: 0.9060974404104882
Energy: 0.5438061821801514
Energy: 0.7250911754215127
Energy: 0.8374914398376201
Energy: 0.7250911754215127
Energy: 0.5003796689328446
Energy: 0.8114132464616317
Energy: 0.7377571906385495
Energy: 0.8114132464624743
Energy: 1.1249233207957243
Energy: 0.6991752811818255
Energy: 0.6116089031762105
Energy: 0.6991752811826679

minimum gb energy = 0.4425126396200247 eV
minimum distance =  2.2417034452646 Angstroms
sigma value = 53


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

Energy: 0.8173923073335004
Energy: 0.5950788507219213
Energy: 0.538763127526526
Energy: 0.5950788507199818
Energy: 0.36962728225509467
Energy: 0.7976847500354124
Energy: 0.5352586064524579
Energy: 0.7976847500354124
Energy: 0.4059907524220579
Energy: 0.6716576140434448
Energy: 0.8548745575656106
Energy: 0.6716576140434448
Energy: 0.5135704333902259
Energy: 0.6384589173957652
Energy: 0.558704591106812
Energy: 0.6384589173957652
Energy: 0.5992547487751716
Energy: 0.5941532529164962
Energy: 0.5480830213267868
Energy: 0.5941532529164962
Energy: 0.46514075267803606
Energy: 0.8402375325117863
Energy: 0.568378179091187
Energy: 0.8402375325117863
Energy: 0.7833230961289371
Energy: 0.6311189695192149
Energy: 0.589593879406486
Energy: 0.6311189695192149
Energy: 0.7110024632642491
Energy: 0.757167479053406
Energy: 0.46794615807407175
Energy: 0.757167479053406
Energy: 0.39807959758587885
Energy: 0.6654541939702884
Energy: 0.960613844829817
Energy: 0.6654541939702884
Energy: 0.43741175104738544
Energy: 0.6665934677560427
Energy: 0.40369136678710127
Energy: 0.6665934677560427
Energy: 0.6743045463848649
Energy: 0.6912815076232214
Energy: 0.5154149674128926
Energy: 0.6912815076232214
Energy: 0.43043556335137495
Energy: 0.6339352876235794
Energy: 0.6420012416867464
Energy: 0.6339352876235794
Energy: 0.6974876541232713
Energy: 0.7089367116906389
Energy: 0.5967356689642256
Energy: 0.7089367116906389

minimum gb energy = 0.36962728225509467 eV
minimum distance =  2.25229390245775 Angstroms
sigma value = 9


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

Energy: 1.0762621128063017
Energy: 0.9329393040213207
Energy: 0.774710670787322
Energy: 0.9329393040213207
Energy: 0.5172830510572688
Energy: 0.9108765182617526
Energy: 0.7519075267383626
Energy: 0.9108765182624705
Energy: 0.4962922430250054
Energy: 0.8031466411943867
Energy: 0.8355119570230155
Energy: 0.8031466411936687
Energy: 0.5760958223227656
Energy: 0.8868554876325798
Energy: 0.5918296790151958
Energy: 0.8868554876325798
Energy: 0.643736394610548
Energy: 0.7724917198615404
Energy: 0.6883355604427687
Energy: 0.7724917198608224
Energy: 0.5119859285190781
Energy: 0.9530851916705876
Energy: 0.682456101791088
Energy: 0.9530851916698697
Energy: 1.0194560271476982
Energy: 0.850622200088016
Energy: 0.6805742788689999
Energy: 0.8506222000887338
Energy: 0.8768856998878631
Energy: 0.7653305108732206
Energy: 0.6707173081895513
Energy: 0.7653305108732206
Energy: 0.5138906801924268
Energy: 0.8200841859452088
Energy: 0.784350713494909
Energy: 0.8200841859459268
Energy: 0.751415614293947
Energy: 0.7802290399716498
Energy: 0.5625807147886062
Energy: 0.7802290399716498
Energy: 0.5818982700562519
Energy: 0.8844744444702525
Energy: 0.8116071899712642
Energy: 0.8844744444702525
Energy: 0.6320404096220121
Energy: 0.92326446580711
Energy: 0.6910731811460743
Energy: 0.92326446580711
Energy: 0.8592231387114111
Energy: 0.9327083516453502
Energy: 0.6132885303580863
Energy: 0.9327083516453502
Energy: 0.8750795757082214
Energy: 0.7735749496792781
Energy: 0.6011718044238685
Energy: 0.7735749496785601
Energy: 0.5347317258260424
Energy: 0.8819759883584397
Energy: 0.6428022493966523
Energy: 0.8819759883591576
Energy: 0.7807755694339734
Energy: 0.8769326945862284
Energy: 0.664974025821716
Energy: 0.8769326945862284
Energy: 0.6617797761910197
Energy: 0.8984487565712383
Energy: 0.5159829157658521
Energy: 0.8984487565712383
Energy: 0.6568337363692592
Energy: 0.8306144903302947
Energy: 0.8308022719208185
Energy: 0.8306144903302947
Energy: 0.7573532622038064
Energy: 0.8794017590473543
Energy: 0.5965696234765759
Energy: 0.8794017590466365
Energy: 0.8497002506091965
Energy: 0.8790931777340573
Energy: 0.4846871853886418
Energy: 0.8790931777333394
Energy: 0.6247960435267607
Energy: 0.896317695888181
Energy: 0.5685628728524862
Energy: 0.896317695888181
Energy: 0.6088510419902015
Energy: 0.8501181636019105
Energy: 0.6592290361219267
Energy: 0.8501181636026285
Energy: 0.6691180106875759
Energy: 0.9373359126604038
Energy: 0.5194193929724549
Energy: 0.9373359126604038
Energy: 0.676544964720063
Energy: 0.8184640058929074
Energy: 0.9931800874349528
Energy: 0.8184640058936251
Energy: 0.6554716071944356
Energy: 0.7808480561556591
Energy: 0.9825353027278855
Energy: 0.7808480561549412
Energy: 0.7577619845991033
Energy: 0.853339409125746
Energy: 0.492417512065316
Energy: 0.853339409125746
Energy: 0.5123607269137174
Energy: 0.863228008392105
Energy: 0.7272261177554085
Energy: 0.863228008392105
Energy: 0.841252917420007
Energy: 0.7672602998026041
Energy: 0.6505129143677305
Energy: 0.7672602998026041
Energy: 0.8559019015024368
Energy: 0.9421889261234938
Energy: 0.6106132664079708
Energy: 0.9421889261227758
Energy: 0.6656785881672169
Energy: 0.9141995076851618
Energy: 0.8146866476998911
Energy: 0.9141995076858798
Energy: 0.6210471190564798
Energy: 0.6963640861852365
Energy: 0.959565633526245
Energy: 0.6963640861866723
Energy: 0.6105131271801639
Energy: 0.8998454895556778
Energy: 0.6734941427022066
Energy: 0.8998454895556778
Energy: 0.5721185752844706
Energy: 0.9056226346489445
Energy: 0.7313921983983473
Energy: 0.9056226346482267
Energy: 0.4847669864852038
Energy: 0.8248578385340742
Energy: 0.7021619346399708
Energy: 0.8248578385333564
Energy: 0.948052221224273
Energy: 0.7907920745864484
Energy: 0.6595812589661498
Energy: 0.7907920745857305

minimum gb energy = 0.4846871853886418 eV
minimum distance =  2.26384880563639 Angstroms
sigma value = 73


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

Energy: 1.1062469356295141
Energy: 1.0779475402151628
Energy: 1.0880864409253925
Energy: 1.0779475402151628
Energy: 0.7231621251756323
Energy: 0.8704428556213243
Energy: 0.841759816682839
Energy: 0.8704428556213243
Energy: 0.5777909265436028
Energy: 0.7578088086572283
Energy: 0.9285566783850596
Energy: 0.7578088086572283
Energy: 0.6243952052046892
Energy: 0.9752262550816159
Energy: 0.6423512580972536
Energy: 0.9752262550816159
Energy: 0.6425413659591256
Energy: 0.8790511259862189
Energy: 0.7706772378475928
Energy: 0.8790511259862189
Energy: 0.6857111269875963
Energy: 0.9333433105755145
Energy: 0.7549910312373134
Energy: 0.9333433105755145
Energy: 1.105338488009224
Energy: 0.8666719220321177
Energy: 0.7146328596094484
Energy: 0.8666719220321177
Energy: 1.0198454659346694
Energy: 0.8131744887726511
Energy: 0.7815534552548048
Energy: 0.8131744887726511
Energy: 0.6889711314926775
Energy: 0.7986376089497864
Energy: 0.7460508793661716
Energy: 0.7986376089497864
Energy: 0.8338812169034799
Energy: 0.9737299163463798
Energy: 0.6863286532934585
Energy: 0.9737299163463798
Energy: 0.6162656857109824
Energy: 0.8966065644965476
Energy: 0.9415333329604096
Energy: 0.8966065644976607
Energy: 0.7167283084135333
Energy: 1.0567388279255026
Energy: 0.8181787792510273
Energy: 1.0567388279255026
Energy: 0.7850497164415436
Energy: 0.9978105647564238
Energy: 0.6522404278925374
Energy: 0.9978105647564238
Energy: 0.8156133122123564
Energy: 0.8288860521676311
Energy: 0.631237333310734
Energy: 0.8288860521687702
Energy: 0.6289453853713189
Energy: 0.9439031543272738
Energy: 0.6426041672914067
Energy: 0.9439031543272738
Energy: 0.8338328215587874
Energy: 0.9058580409460493
Energy: 0.6725547172355277
Energy: 0.9058580409460493
Energy: 0.7908577456798058
Energy: 0.8598682761685092
Energy: 0.73022200081641
Energy: 0.8598682761685092
Energy: 0.7807335225673498
Energy: 0.9354199454075344
Energy: 1.355522603832403
Energy: 0.9354199454075344
Energy: 0.6498993848139613
Energy: 0.7521846508567747
Energy: 0.9838520335842729
Energy: 0.7521846508567747
Energy: 0.7500512449211035
Energy: 0.8684478834595079
Energy: 0.6202654541419083
Energy: 0.8684478834595079
Energy: 0.5897190908399776
Energy: 0.9586321713781236
Energy: 0.6981294035639434
Energy: 0.9586321713769845
Energy: 0.9422993225536301
Energy: 0.5650897845699234
Energy: 0.6628552505869915
Energy: 0.5650897845699234

minimum gb energy = 0.5650897845699234 eV
minimum distance =  2.2837964638351 Angstroms
sigma value = 7


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

Energy: 1.1649864124676435
Energy: 1.0279554475807664
Energy: 0.6915674505114959
Energy: 1.0279554475815718
Energy: 0.5386618040446979
Energy: 0.829938838841578
Energy: 0.5959575682099787
Energy: 0.8299388388407726
Energy: 0.45464309548798304
Energy: 0.92296603134539
Energy: 0.8074341499363529
Energy: 0.92296603134539
Energy: 0.5240572344536026
Energy: 0.8499467398241591
Energy: 0.6377075794046022
Energy: 0.8499467398241591
Energy: 0.545150492099293
Energy: 0.6943476654516832
Energy: 0.8477193271813356
Energy: 0.6943476654516832
Energy: 0.7079088051383907
Energy: 0.8942292052832068
Energy: 0.861580725758842
Energy: 0.8942292052832068
Energy: 0.8228738368989205
Energy: 0.9223300796449286
Energy: 0.6667823587217689
Energy: 0.9223300796449286
Energy: 0.8716941061917495
Energy: 0.7632498937710369
Energy: 0.5986044353320614
Energy: 0.7632498937718423
Energy: 0.5696095096645769
Energy: 0.7745408310517532
Energy: 0.6225868818502319
Energy: 0.7745408310517532
Energy: 0.7063749962649699
Energy: 0.8439184159979697
Energy: 0.6740965789627893
Energy: 0.8439184159979697
Energy: 0.6242138239570503
Energy: 0.7851277637286638
Energy: 0.9868591943310624
Energy: 0.7851277637278583
Energy: 0.5481369871376397
Energy: 0.6242773859830948
Energy: 0.9620059534184286
Energy: 0.6242773859847055
Energy: 0.5450657331821877
Energy: 0.8050424292845305
Energy: 0.5219373313955773
Energy: 0.8050424292837252
Energy: 0.6000462542545046
Energy: 0.855535257088973
Energy: 0.5928237461688958
Energy: 0.855535257088973
Energy: 0.49860198288664553
Energy: 0.7995067292183956
Energy: 0.5388745555192173
Energy: 0.7995067292192011
Energy: 1.1615092439863026
Energy: 0.6443018167126642
Energy: 0.5805141490221248
Energy: 0.6443018167126642
Energy: 1.0519856895482316
Energy: 0.7639703399027252
Energy: 0.5714615374718736
Energy: 0.7639703399027252
Energy: 0.49622684758410124
Energy: 0.8331340163215194
Energy: 0.8544500773873986
Energy: 0.8331340163215194
Energy: 0.5755392567678344
Energy: 0.8315254207836057
Energy: 0.6810506472573271
Energy: 0.8315254207836057
Energy: 0.5713029856093151
Energy: 0.7510581114059492
Energy: 0.7392092574795356
Energy: 0.7510581114051438
Energy: 0.5761473361985235
Energy: 0.9122379197265011
Energy: 0.7992763459444622
Energy: 0.9122379197265011
Energy: 0.8678292065967118
Energy: 0.847781410094741
Energy: 0.6163681769944025
Energy: 0.847781410094741
Energy: 0.8569171271691176
Energy: 0.6801413361288214
Energy: 0.515700605379555
Energy: 0.6801413361304324
Energy: 0.5846930374077244
Energy: 0.8460169155361562
Energy: 0.5882037526580418
Energy: 0.8460169155361562
Energy: 0.7370917612530782
Energy: 0.8790805444432273
Energy: 0.5654138381732168
Energy: 0.8790805444432273
Energy: 0.6607311314086644
Energy: 0.8261580607405498
Energy: 0.6542781442669178
Energy: 0.8261580607405498
Energy: 0.6866635351210661
Energy: 0.9283952935183916
Energy: 1.1276331006826366
Energy: 0.9283952935183916
Energy: 0.5651636871989073
Energy: 0.8099455710493145
Energy: 0.5418861675731012
Energy: 0.8099455710493145
Energy: 0.609143130012974
Energy: 0.7646925111795205
Energy: 0.5067511175953084
Energy: 0.7646925111795205
Energy: 0.5155729630851336
Energy: 0.8351778284547665
Energy: 0.5966034385782752
Energy: 0.8351778284547665
Energy: 1.0422736180731487
Energy: 0.6192132112668062
Energy: 0.5999416821431623
Energy: 0.6192132112676116

minimum gb energy = 0.45464309548798304 eV
minimum distance =  2.2814603326098 Angstroms
sigma value = 29


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

Energy: 0.7273438994354682
Energy: 0.6340990967264938
Energy: 0.40509025925520625
Energy: 0.6340990967270549
Energy: 0.286853943183818
Energy: 0.5060782607978925
Energy: 0.22364539359100735
Energy: 0.5060782607978925
Energy: 0.5236374650513638
Energy: 0.5148968772390836
Energy: 0.6967122539112935
Energy: 0.5148968772390836
Energy: 0.536572862012067
Energy: 0.9698681975568506
Energy: 0.17135495782290888
Energy: 0.96986819755657
Energy: 0.25211900099753776
Energy: 0.7245486481636959
Energy: 0.4865110280867713
Energy: 0.7245486481645064
Energy: 0.1989215525996192
Energy: 0.3372277055678984
Energy: 0.5193886835341486
Energy: 0.3372277055684595
Energy: 0.6995922229034857
Energy: 0.5316706801848041
Energy: 0.1799175117427388
Energy: 0.5316706801848041
Energy: 0.1255382805657214
Energy: 0.6691905492595079
Energy: 0.4659366009166852
Energy: 0.6691905492595079
Energy: 0.5838901872789984
Energy: 0.8760121521812719
Energy: 0.3584027152882622
Energy: 0.8760121521818331

minimum gb energy = 0.1255382805657214 eV
minimum distance =  2.25232252010082 Angstroms
sigma value = 5


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

Energy: 1.050093510340701
Energy: 0.579273470995335
Energy: 0.5732349990804212
Energy: 0.5792734709945742
Energy: 0.5873446980567948
Energy: 0.5832956056359225
Energy: 0.48970081481451905
Energy: 0.5832956056351618
Energy: 0.5507073629339462
Energy: 0.7375677311400629
Energy: 0.5090852876548452
Energy: 0.7375677311393022
Energy: 0.4830319950011535
Energy: 0.6741844173269149
Energy: 0.599039379019857
Energy: 0.6741844173253932
Energy: 0.4772485162460216
Energy: 0.4632056537547547
Energy: 1.0733742903726278
Energy: 0.4632056537547547
Energy: 0.35222886835362693
Energy: 0.4451777176115271
Energy: 1.0232250432316226
Energy: 0.4451777176100055
Energy: 0.3776146536529344
Energy: 0.5422494527201539
Energy: 0.5913100622594681
Energy: 0.5422494527186322
Energy: 0.36651947697221154
Energy: 0.6156067218619717
Energy: 0.7360278133226833
Energy: 0.6156067218627327
Energy: 0.7494844483117528
Energy: 0.7757535394982389
Energy: 0.8025891297962027
Energy: 0.7757535394982389
Energy: 0.8300968141765408
Energy: 0.4906311527468917
Energy: 0.3480890755302847
Energy: 0.49063115274765245
Energy: 0.6288158396040493
Energy: 0.4498793490840109
Energy: 0.31259550010905995
Energy: 0.44987934908325006
Energy: 0.8679937029053528
Energy: 0.3926565801559946
Energy: 0.3251448072062142
Energy: 0.39265658015523386
Energy: 0.8258014603870104
Energy: 0.5874727769168838
Energy: 0.6869519131667786
Energy: 0.5874727769176447
Energy: 0.6249921470524034
Energy: 0.7622919102090261
Energy: 0.6601612696598254
Energy: 0.7622919102097868
Energy: 0.37176686707771833
Energy: 0.6659053313806336
Energy: 0.7054129774971463
Energy: 0.6659053313806336
Energy: 0.32800540080490653
Energy: 0.4742134384329442
Energy: 0.6071592272616148
Energy: 0.4742134384321834
Energy: 0.34942409909760835
Energy: 0.4643654143715953
Energy: 1.1634782070488128
Energy: 0.4643654143715953
Energy: 0.5668462108874641
Energy: 0.4938415224480309
Energy: 0.6821223653177108
Energy: 0.49384152244727014
Energy: 0.512687877449817
Energy: 0.8744728370284677
Energy: 0.5293850650166625
Energy: 0.8744728370284677
Energy: 0.516142474228
Energy: 0.9545872983372494
Energy: 0.4648878734007337
Energy: 0.9545872983372494
Energy: 1.041129321186603
Energy: 0.47835710755790656
Energy: 0.5045609590528998
Energy: 0.4783571075571457
Energy: 1.0637252952410197
Energy: 0.42786450684106997
Energy: 0.3047048285942634
Energy: 0.42786450684106997
Energy: 0.5625338892514307
Energy: 0.4829475118282039
Energy: 0.32030934064840805
Energy: 0.48294751182744305
Energy: 0.728623200214913
Energy: 0.5093289815251794
Energy: 0.42081452581803597
Energy: 0.5093289815251794
Energy: 0.8216629650898177
Energy: 1.000502278303353
Energy: 0.6839562739449555
Energy: 1.000502278303353
Energy: 0.6333464518585138
Energy: 0.9832068475051254
Energy: 0.8208342092225511
Energy: 0.9832068475051254
Energy: 0.3357949110293573
Energy: 0.5588791208092926
Energy: 0.609282150704234
Energy: 0.5588791208092926
Energy: 0.35583351234771265
Energy: 0.5376704918350946
Energy: 0.618275280534529
Energy: 0.5376704918366163
Energy: 0.73604325074497
Energy: 0.5895125950337071
Energy: 0.8790928567117267
Energy: 0.5895125950344678
Energy: 0.6207415774528708
Energy: 0.7567249930413815
Energy: 0.6772494865035584
Energy: 0.7567249930413815
Energy: 0.6881708520446421
Energy: 0.6403236348539512
Energy: 0.43266726040628317
Energy: 0.640323634854712
Energy: 0.6122927372459855
Energy: 0.498798426637272
Energy: 0.40996155467447687
Energy: 0.498798426637272
Energy: 1.1125293326443007
Energy: 0.49821508086743466
Energy: 0.3541002021695364
Energy: 0.4982150808651523

minimum gb energy = 0.3047048285942634 eV
minimum distance =  2.28037197134149 Angstroms
sigma value = 1


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

Energy: 1.0004867095527175
Energy: 0.797405998362912
Energy: 0.492095168363828
Energy: 0.797405998362912
Energy: 0.5999455124153901
Energy: 0.6448715305767135
Energy: 0.4519523794548183
Energy: 0.6448715305777655
Energy: 0.4729785520666464
Energy: 0.7053836795779266
Energy: 0.5139053946695542
Energy: 0.7053836795779266
Energy: 0.38967415314043197
Energy: 0.6363343918934744
Energy: 0.4730309284835131
Energy: 0.6363343918934744
Energy: 0.4211549843023209
Energy: 0.22388763673319664
Energy: 0.5582472600608174
Energy: 0.22388763673319664
Energy: 0.1669533454424846
Energy: 0.36145069664810026
Energy: 0.7291681600943971
Energy: 0.36145069664704843
Energy: 0.24095772632251902
Energy: 0.45915094932364897
Energy: 0.7186946762861409
Energy: 0.45915094932259704
Energy: 0.2599621563415481
Energy: 0.47472221774971457
Energy: 0.6830322467088232
Energy: 0.47472221774971457
Energy: 0.6444422449881383
Energy: 0.9287210600485629
Energy: 0.802876230390087
Energy: 0.9287210600485629
Energy: 0.7051571540513419
Energy: 0.34435859950284126
Energy: 0.30979841608785624
Energy: 0.34435859950284126
Energy: 0.6021437058478765
Energy: 0.5324385374641382
Energy: 0.2063349768117872
Energy: 0.5324385374630861
Energy: 0.9924799514178605
Energy: 0.4242679903201581
Energy: 0.27415313334268127
Energy: 0.42426799031910617
Energy: 0.9922292901015732
Energy: 0.7942323068394603
Energy: 0.6040089005577617
Energy: 0.7942323068384084
Energy: 0.5944837434208287
Energy: 0.5884538044844088
Energy: 0.4518123646279024
Energy: 0.5884538044844088
Energy: 0.3549666371729235
Energy: 0.6152539839787365
Energy: 0.5097994054680766
Energy: 0.6152539839787365
Energy: 0.39372807988281144
Energy: 0.6517081570455897
Energy: 0.7035330125326205
Energy: 0.6517081570466416
Energy: 0.7131400864596718
Energy: 0.42400537652812925
Energy: 1.0664844878536381
Energy: 0.42400537652812925
Energy: 0.33725445201494997
Energy: 0.4373235951398377
Energy: 0.821843332667383
Energy: 0.4373235951398377
Energy: 0.3155127351155468
Energy: 0.47183841300205226
Energy: 0.7574636652756102
Energy: 0.47183841300205226
Energy: 0.7305334325040815
Energy: 0.6870315399254339
Energy: 0.8735345195861612
Energy: 0.6870315399244057
Energy: 0.6781851237442983
Energy: 0.6584607760726732
Energy: 0.7141840175625316
Energy: 0.6584607760716215
Energy: 0.677648159285097
Energy: 0.5862152068707696
Energy: 0.2997587691433785
Energy: 0.5862152068707696
Energy: 0.6655880459591896
Energy: 0.7821987258627555
Energy: 0.22763071266750803
Energy: 0.7821987258638076
Energy: 0.9866086772781864
Energy: 0.40633714460138126
Energy: 0.4468124279557475
Energy: 0.4063371446003294

minimum gb energy = 0.1669533454424846 eV
minimum distance =  2.27126519912782 Angstroms
sigma value = 17


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

Energy: 1.0529160756215694
Energy: 0.7604583739437706
Energy: 0.5622061508673857
Energy: 0.7604583739437706
Energy: 0.6980350882014418
Energy: 0.5189620935095206
Energy: 0.37836505353208105
Energy: 0.51896209350757
Energy: 0.585990535850812
Energy: 0.5422017173674463
Energy: 0.46881851688737486
Energy: 0.5422017173680964
Energy: 0.617820043791991
Energy: 0.7482681989186064
Energy: 0.47354351093343733
Energy: 0.748268198920557
Energy: 0.6575511852966385
Energy: 0.4525438374912905
Energy: 0.8551635374303957
Energy: 0.4525438374912905
Energy: 0.17323508913890642
Energy: 0.34935666844010077
Energy: 0.715441589228712
Energy: 0.349356668440751
Energy: 0.24057662449699432
Energy: 0.3836158690778507
Energy: 0.8248212161025177
Energy: 0.3836158690778507
Energy: 0.27641479309063194
Energy: 0.3166407034170222
Energy: 1.00178116547415
Energy: 0.31664070341832257
Energy: 0.6853562884661949
Energy: 0.6407754211591589
Energy: 0.8199582332408464
Energy: 0.6407754211591589
Energy: 0.5422113214506938
Energy: 0.7309843794517371
Energy: 0.4367907535704976
Energy: 0.7309843794523873
Energy: 0.7070353144259509
Energy: 0.6377369411287965
Energy: 0.3010422819462895
Energy: 0.6377369411287965
Energy: 0.9237488543673266
Energy: 0.33665306514781496
Energy: 0.40960431581615697
Energy: 0.33665306514846505
Energy: 1.1182099829257315
Energy: 0.35449155247256825
Energy: 0.1898784689259912
Energy: 0.35449155247321845
Energy: 0.8083947380085565
Energy: 0.38943268854101437
Energy: 0.23427676615051538
Energy: 0.3894326885429648
Energy: 0.6940098329027204
Energy: 0.5365888898638056
Energy: 0.2786107750786967
Energy: 0.5365888898638056
Energy: 0.678776744915787
Energy: 0.4887669192544112
Energy: 0.6974210677760455
Energy: 0.4887669192544112
Energy: 0.22251395765881485
Energy: 1.0357483373615575
Energy: 0.801400848377706
Energy: 1.0357483373615575
Energy: 0.2828957874493227
Energy: 0.40846758838438957
Energy: 0.7169242072511063
Energy: 0.4084675883837395
Energy: 0.34918948786986687
Energy: 0.36799405292153153
Energy: 0.9220043021392895
Energy: 0.3679940529202312
Energy: 0.6432797950506286
Energy: 0.30805885582976567
Energy: 1.0218404395982459
Energy: 0.30805885583041587
Energy: 0.4569642571099967
Energy: 0.5740035863197206
Energy: 0.7157239410021426
Energy: 0.5740035863203709
Energy: 0.4637186708548905
Energy: 0.5411577120399118
Energy: 0.5899371856760308
Energy: 0.541157712040562
Energy: 0.7062705217213149
Energy: 0.7335509104959987
Energy: 0.6327874065632634
Energy: 0.733550910497299
Energy: 0.8799520023075262
Energy: 0.4255131743677875
Energy: 0.45680645253847835
Energy: 0.42551317436908787
Energy: 0.6919731582454248
Energy: 0.39955797029559303
Energy: 0.24566892504797813
Energy: 0.39955797029624307
Energy: 0.7369932376673385
Energy: 0.30211089059604285
Energy: 0.27952296291358564
Energy: 0.30211089059604285
Energy: 0.9453799713535503
Energy: 0.32446942274388113
Energy: 0.29762684494208963
Energy: 0.32446942274518153
Energy: 0.8855257158461332
Energy: 0.7435406702456341
Energy: 0.6567795546736085
Energy: 0.7435406702456341
Energy: 0.43341755277050725
Energy: 0.6815927432710577
Energy: 0.4900846699269718
Energy: 0.6815927432704075
Energy: 0.2998688228416719
Energy: 0.6346669951899863
Energy: 0.6775062573893212
Energy: 0.6346669951906364
Energy: 0.46575672546380426
Energy: 0.3585467681851592
Energy: 1.125507136965816
Energy: 0.35854676818645953
Energy: 0.17615667307424854
Energy: 0.24674133025500708
Energy: 1.1361192025781472
Energy: 0.24674133025565723
Energy: 0.22512037065040885
Energy: 0.387781069450481
Energy: 0.843112751137431
Energy: 0.387781069450481
Energy: 0.26524568656402775
Energy: 0.3862380294542396
Energy: 0.6938506213655777
Energy: 0.3862380294523482
Energy: 0.7674816352481195
Energy: 0.7723853425912584
Energy: 0.731234467667895
Energy: 0.7723853425906082
Energy: 0.7916693488227607
Energy: 1.0532429240069436
Energy: 0.26717015275385186
Energy: 1.0532429240069436
Energy: 0.8332803998762583
Energy: 0.5528443091339301
Energy: 0.2946919980167246
Energy: 0.5528443091352304
Energy: 0.8572946970791395
Energy: 0.3834950221113539
Energy: 0.25469675473304415
Energy: 0.3834950221113539

minimum gb energy = 0.17323508913890642 eV
minimum distance =  2.28425062858281 Angstroms
sigma value = 89


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

Energy: 1.0608527065205984
Energy: 0.8937890049561791
Energy: 0.2718680023114302
Energy: 0.8937890049578802
Energy: 0.11086732386341015
Energy: 0.14409474567085143
Energy: 0.4649852395825596
Energy: 0.14409474567085143
Energy: 0.23796173123165357
Energy: 0.35382567129548914
Energy: 0.41461370819772736
Energy: 0.3538256712971903
Energy: 0.2522012157948528
Energy: 0.41325369430098813
Energy: 0.43586850499064356
Energy: 0.413253694299287
Energy: -0.023592506863160126
Energy: 0.49549690891664855
Energy: 0.6483385841886871
Energy: 0.49549690891664855
Energy: 0.03083185228736397
Energy: 0.2820058815348679
Energy: 0.650008163643326
Energy: 0.2820058815348679
Energy: -0.014211960031630496
Energy: 0.2871022228178001
Energy: 0.5567779265388675
Energy: 0.2871022228178001
Energy: 0.2755922754894347
Energy: 0.18773638144111826
Energy: 0.835188043654798
Energy: 0.18773638144111826
Energy: 0.5094634490480238
Energy: 0.42134866436914475
Energy: 0.9627444983805687
Energy: 0.42134866436914475
Energy: 0.23519622915991775
Energy: 0.05582872219157232
Energy: 0.5015787127002765
Energy: 0.05582872219157232
Energy: 0.5406877153592711
Energy: 0.19323988660052302
Energy: 0.22801754635575147
Energy: 0.19323988660052302
Energy: 0.6265422091956211
Energy: 0.2260008260117774
Energy: -0.016890797912549566
Energy: 0.2260008260117774
Energy: 0.8140326205697547
Energy: 0.24896930475644385
Energy: -0.005068166499684963
Energy: 0.24896930475814502
Energy: 0.3927645569834883
Energy: 0.15218450059639818
Energy: 0.033213278495933064
Energy: 0.1521845005980994
Energy: 0.9219291096158964
Energy: 0.2065376551384155
Energy: 0.02671068214125848
Energy: 0.20653765515032377

minimum gb energy = -0.023592506863160126 eV
minimum distance =  2.29476845522615 Angstroms
sigma value = 13


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

Energy: 1.0060565602178768
Energy: 0.3952663664054111
Energy: 0.2608179764451598
Energy: 0.395266366403272
Energy: 0.7843095522203858
Energy: 0.41330410971031195
Energy: 0.22669870456995672
Energy: 0.41330410971031195
Energy: 0.7188102471265665
Energy: 0.4163076047335103
Energy: 0.25138838932373914
Energy: 0.4163076047335103
Energy: 0.5530100546810091
Energy: 0.3479541708835213
Energy: 0.4851423037827705
Energy: 0.3479541708828083
Energy: 0.2976849498662196
Energy: 0.4133031082281271
Energy: 0.6498947302617747
Energy: 0.41330310822741406
Energy: 0.18887671051856672
Energy: 0.4835641004736658
Energy: 0.6629172945925452
Energy: 0.4835641004743789
Energy: 0.2839179955834538
Energy: 0.4393423399768362
Energy: 0.6729554636720085
Energy: 0.43934233997754923
Energy: 0.24122507715585442
Energy: 0.2457038280961155
Energy: 1.0518606289208439
Energy: 0.24570382809326338
Energy: -0.007591392983289434
Energy: 0.1793632253141205
Energy: 1.0385569408477535
Energy: 0.1793632253119814
Energy: 0.08606891671269927
Energy: 0.2212466551804751
Energy: 0.9745044390110126
Energy: 0.22124665517976208
Energy: 0.05444369677470563
Energy: 0.2699827770544102
Energy: 0.8066559968067585
Energy: 0.26998277705726226
Energy: 0.5706441978103244
Energy: 0.7312823731218522
Energy: 0.755494060247575
Energy: 0.7312823731211391
Energy: 0.5735866699439388
Energy: 0.6101930328324696
Energy: 0.5254975926449535
Energy: 0.6101930328324696
Energy: 0.4153199459013296
Energy: 0.6784557727379794
Energy: 0.517190471740163
Energy: 0.6784557727401186
Energy: 0.9275509709210391
Energy: 0.06600631361949569
Energy: 0.4087917285472496
Energy: 0.06600631362092174
Energy: 0.899969574656791
Energy: 0.20844450080632254
Energy: 0.0011982376350675055
Energy: 0.20844450080632254
Energy: 0.8695024043966056
Energy: 0.15736831421354894
Energy: 0.09140302378867411
Energy: 0.1573683142128359
Energy: 0.9431574433743507
Energy: 0.31378033044532705
Energy: 0.058137556293761196
Energy: 0.31378033044532705
Energy: 1.070363254233208
Energy: 0.24419719772944778
Energy: 0.21227361616966142
Energy: 0.24419719772873477
Energy: 0.8421176810596979
Energy: 0.42560345845932207
Energy: 0.2544420581441126
Energy: 0.42560345845932207
Energy: 0.6088339306818662
Energy: 1.0373988786655075
Energy: 0.09993404272016249
Energy: 1.0373988786655075
Energy: 0.8108221326571278
Energy: 0.6152190607157607
Energy: 0.6532179158412578
Energy: 0.6152190607164738
Energy: 0.22107294923662157
Energy: 0.29077016714628684
Energy: 0.678409116824013
Energy: 0.29077016714486076
Energy: 0.096385829320779
Energy: 0.2617361926296831
Energy: 0.797626546609794
Energy: 0.26173619263039616
Energy: 0.23814295998555673
Energy: 0.18472418044404476
Energy: 0.9772649417779241
Energy: 0.18472418044333178
Energy: 0.00883928631839698
Energy: 0.17282956662954468
Energy: 0.986392880188818
Energy: 0.1728295666274056
Energy: 0.022260772309683964
Energy: 0.26566615900838053
Energy: 0.9242637106087405
Energy: 0.26566615900766744
Energy: 0.04156928992909727
Energy: 0.19426423626089312
Energy: 0.849416223621244
Energy: 0.19426423626089312
Energy: 0.5419059696712357
Energy: 0.4371859249930769
Energy: 1.0213712102538104
Energy: 0.437185924992364
Energy: 0.3748591696909399
Energy: 0.6147276288446875
Energy: 0.5134895197038154
Energy: 0.6147276288439744
Energy: 0.47439199042305413
Energy: 0.6809348658989308
Energy: 0.47043422756204667
Energy: 0.6809348658982178
Energy: 0.9219034452823677
Energy: 0.20453000750362532
Energy: 0.4819248529421503
Energy: 0.2045300075043383
Energy: 0.873609201343931
Energy: 0.256049057888591
Energy: 0.0344951498893367
Energy: 0.256049057887878
Energy: 0.984165279335732
Energy: 0.1322563585899472
Energy: 0.1582451525259927
Energy: 0.13225635859137325
Energy: 0.9471779842370672
Energy: 0.07785492542716309
Energy: 0.01462129046407149
Energy: 0.07785492542716309

minimum gb energy = -0.007591392983289434 eV
minimum distance =  2.30272704107614 Angstroms
sigma value = 37


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

Energy: 0.8647648335466801
Energy: 0.0858626612699147
Energy: 0.24135070709064949
Energy: 0.08586266126868795
Energy: 0.25731405192791956
Energy: 0.29892228943608845
Energy: 0.1314172265445738
Energy: 0.29892228943731525
Energy: 0.5418487667339712
Energy: 0.41037327237057125
Energy: 0.08344386113377679
Energy: 0.41037327237057125
Energy: 0.5843141136829969
Energy: 1.174495027573906
Energy: 0.07980201229675746
Energy: 1.174495027573906
Energy: 0.4755291674435787
Energy: 0.6334826663216495
Energy: 0.4648442781430335
Energy: 0.6334826663216495
Energy: 0.41736675197746365
Energy: 0.8029728690181496
Energy: 0.8284641963081607
Energy: 0.8029728690181496
Energy: 0.10319952389344297
Energy: 0.46617899359346376
Energy: 0.9476515173087628
Energy: 0.4661789935946905
Energy: -0.0355808237069735
Energy: 0.11692092293836091
Energy: 0.7620076122183517
Energy: 0.11692092293836091
Energy: -0.1406952306559983
Energy: -0.14182066229433773
Energy: 0.8720665818017804
Energy: -0.14182066229433773
Energy: -0.09600024993033135
Energy: 0.048418178785884364
Energy: 0.7303979419603948
Energy: 0.04841817878833784
Energy: 0.24135070709064949
Energy: 0.0858626612699147
Energy: 0.8647648335466801
Energy: 0.0858626612699147
Energy: 0.13141722654580054
Energy: 0.29892228943608845
Energy: 0.25731405192791956
Energy: 0.29892228943608845
Energy: 0.08344386113377679
Energy: 0.410373272371798
Energy: 0.5418487667327444
Energy: 0.410373272371798
Energy: 0.07980201229675746
Energy: 1.174495027573906
Energy: 0.5843141136842237
Energy: 1.174495027573906
Energy: 0.46484427814426016
Energy: 0.6334826663216495
Energy: 0.4755291674435787
Energy: 0.6334826663216495
Energy: 0.8284641963081607
Energy: 0.8029728690181496
Energy: 0.41736675197746365
Energy: 0.8029728690181496
Energy: 0.9476515173087628
Energy: 0.46617899359346376
Energy: 0.10319952389221622
Energy: 0.4661789935946905
Energy: 0.7620076122171249
Energy: 0.11692092293836091
Energy: -0.0355808237069735
Energy: 0.11692092293836091
Energy: 0.8720665818017804
Energy: -0.1418206622955645
Energy: -0.1406952306559983
Energy: -0.14182066229433773
Energy: 0.730397941959168
Energy: 0.04841817878465762
Energy: -0.09600024993033135
Energy: 0.04841817878465762

minimum gb energy = -0.1418206622955645 eV
minimum distance =  2.32027613143192 Angstroms
sigma value = 25


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

Energy: 0.9111209517823575
Energy: 0.23262527645497905
Energy: -0.0454777002222187
Energy: 0.23262527645593695
Energy: 0.6051482067609445
Energy: -0.034634375892749106
Energy: 0.10962029537389589
Energy: -0.03463437589370702
Energy: 0.905630055874706
Energy: 0.21759852305373975
Energy: 0.03966495276601194
Energy: 0.21759852305373975
Energy: 0.6887767524031496
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Energy: 0.25619218219583567
Energy: 0.3023840462315182
Energy: 0.69938616435219
Energy: 0.5926801796749867
Energy: 0.4521934359895403
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Energy: 0.3492460518774842
Energy: 0.5728414622450776
Energy: 0.482621175734574
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Energy: 0.6425591837248463
Energy: 0.7440377833920908
Energy: 0.6425591837248463
Energy: 0.39507750940959696
Energy: 0.461093700554944
Energy: 0.5506658200472874
Energy: 0.461093700554944
Energy: 0.05799986982074679
Energy: 0.2982590879983397
Energy: 1.1559771631567093
Energy: 0.2982590879983397
Energy: 0.06116643017226334
Energy: 0.25814047480577623
Energy: 0.6448653762318071
Energy: 0.2581404748048183
Energy: 0.40491967749195096
Energy: 0.30421429052016996
Energy: 1.007716119524958
Energy: 0.30421429052016996
Energy: -0.2838563079228145
Energy: 0.08332709936944445
Energy: 0.7086436330949516
Energy: 0.08332709936944445
Energy: -0.19999573580553517
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Energy: 0.9529917806760256
Energy: 0.034329378404374326
Energy: 0.08247717054558294
Energy: -0.18930053063521277
Energy: 0.7346527066754106
Energy: -0.18930053063521277
Energy: 0.026381701924949146
Energy: 0.2749420597252839
Energy: 0.6172204656815786
Energy: 0.2749420597243695
Energy: -0.008118727397598753
Energy: 0.3210836543536161
Energy: 0.732714614936435
Energy: 0.3210836543536161
Energy: 0.3379375504933946
Energy: 0.27774220164171226
Energy: 0.7135677784268326
Energy: 0.27774220164075436
Energy: 0.31868264519824646
Energy: 0.7814076221836757
Energy: 0.7870882911463496
Energy: 0.7814076221846336
Energy: 0.6718559515730596
Energy: 0.763460635260168
Energy: 0.5295016969756751
Energy: 0.763460635260168
Energy: 0.7123761956311434
Energy: 0.6129429880104659
Energy: 0.49168177603438695
Energy: 0.6129429880104659
Energy: 0.6625272073735844
Energy: 0.8504566726262766
Energy: 0.581189291812239
Energy: 0.8504566726253622
Energy: 1.1065527010381127
Energy: 0.32019921642153953
Energy: -0.035610982894269325
Energy: 0.32019921642153953
Energy: 1.0116495850317326
Energy: 0.046876269273333306
Energy: 0.07175423557690977
Energy: 0.04687626927429122
Energy: 0.9021619709616998
Energy: -0.01021773409337718
Energy: -0.1580446597210283
Energy: -0.010217734095293026
Energy: 0.8321632117948934
Energy: 0.06843431378221855
Energy: -0.17101538516767428
Energy: 0.06843431378221855
Energy: 0.8447315179796261
Energy: -0.003275972998490728
Energy: -0.1928090133733807
Energy: -0.003275972998490728

minimum gb energy = -0.2838563079228145 eV
minimum distance =  2.30686334941597 Angstroms
sigma value = 41


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

Energy: 1.0614630573832287
Energy: 0.576410843581304
Energy: -0.02846674132492265
Energy: 0.5764108435805188
Energy: 1.0944023063355106
Energy: -0.07543793393414179
Energy: 0.0022675505117939697
Energy: -0.07543793393335645
Energy: 0.7919184246283321
Energy: 0.2128609282796689
Energy: -0.05539254051313787
Energy: 0.2128609282796689
Energy: 0.5894434774370676
Energy: 0.2647958591572111
Energy: 0.41447099659850395
Energy: 0.2647958591572111
Energy: 0.856914692450592
Energy: 0.44066918375027003
Energy: 0.5375876394316592
Energy: 0.44066918375027003
Energy: 0.5801360835222569
Energy: 0.4899744551604299
Energy: 0.2928179128699641
Energy: 0.4899744551612153
Energy: 0.5569115174047273
Energy: 0.5383810008698625
Energy: 0.6697863668549994
Energy: 0.5383810008698625
Energy: 0.7878663054863422
Energy: 0.49077623438562906
Energy: 0.4638191019544443
Energy: 0.49077623438562906
Energy: 0.21814339332082403
Energy: 0.5886369886632177
Energy: 0.9297891509791818
Energy: 0.5886369886624324
Energy: 0.2308179882708454
Energy: 0.21571598448434173
Energy: 0.769088712413709
Energy: 0.21571598448512708
Energy: 0.5314098026876171
Energy: 0.11580036189739107
Energy: 0.9136573300724931
Energy: 0.1158003618981764
Energy: -0.027281532441845405
Energy: 0.282497846031009
Energy: 0.8160062702175022
Energy: 0.282497846031009
Energy: -0.018280619976212123
Energy: -0.01584174604850499
Energy: 0.9798676000477001
Energy: -0.015841746049290326
Energy: -0.24932912973556987
Energy: -0.1392413924224542
Energy: 0.7481298142358896
Energy: -0.1392413924240249
Energy: -0.03465877269608923
Energy: -0.0998658828713917
Energy: 1.0417505191387317
Energy: -0.09986588287610375
Energy: -0.18251892352527865
Energy: -0.06786759538235719
Energy: 0.8787609078545885
Energy: -0.0678675953784305
Energy: -0.07086609344040168
Energy: -0.06493338067367581
Energy: 0.9209768145424702
Energy: -0.06493338067210513
Energy: 0.0700138584922951
Energy: 0.2902264383111356
Energy: 0.7567874767352976
Energy: 0.2902264383119209
Energy: -0.07846495360298451
Energy: 0.2003841530217247
Energy: 0.6704076508196607
Energy: 0.2003841530217247
Energy: 0.32160265900278323
Energy: 0.26769182089783633
Energy: 0.6913312259456782
Energy: 0.26769182089783633
Energy: 0.2985735651958723
Energy: 0.16523930123125585
Energy: 0.6662153140273683
Energy: 0.16523930123361186
Energy: 0.30524715248151973
Energy: 0.5967910560862834
Energy: 0.5140876185858714
Energy: 0.596791056085498
Energy: 0.6045263672624986
Energy: 0.49095423447091446
Energy: 0.5776691779421669
Energy: 0.49095423447169984
Energy: 0.4154400086375727
Energy: 0.4613460939019331
Energy: 0.28134312537790507
Energy: 0.4613460939019331
Energy: 0.5703382161810694
Energy: 0.4778052372101262
Energy: 0.5498345704501758
Energy: 0.4778052372093408
Energy: 0.7246608562104099
Energy: 0.45148973944115567
Energy: 0.3405083233686111
Energy: 0.45148973944115567
Energy: 0.7014488820846874
Energy: 0.19591873764312906
Energy: -0.03887602773163667
Energy: 0.19591873764312906
Energy: 0.7371661614141769
Energy: 0.34974711800545166
Energy: 0.32228035452910503
Energy: 0.34974711800545166
Energy: 0.8297911173892925
Energy: -0.03828238913663614
Energy: 0.08917728965300421
Energy: -0.03828238913663614
Energy: 0.8484266174688054
Energy: -0.0392001200912853
Energy: -0.2542596590813021
Energy: -0.039200120089714616
Energy: 1.0456537651148106
Energy: 0.11741191037909439
Energy: -0.11241072592755187
Energy: 0.11741191037830906
Energy: 0.9033102118658103
Energy: -0.018556576863673676
Energy: -0.24077983134037426
Energy: -0.018556576863673676

minimum gb energy = -0.2542596590813021 eV
minimum distance =  2.3037667709935 Angstroms
sigma value = 15


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

Energy: 0.9368508447112729
Energy: -0.03455625230696568
Energy: -0.05955427495626212
Energy: -0.0345562523043045
Energy: 1.0692355173782624
Energy: -0.12206402943516867
Energy: -0.043965919434408224
Energy: -0.1220640294331728
Energy: 0.8768625294971727
Energy: 0.1689535572478452
Energy: -0.07185828794673338
Energy: 0.16895355724717992
Energy: 0.7326549761090738
Energy: 0.11148799408045611
Energy: 0.31173009970715476
Energy: 0.1114879940791255
Energy: 0.9843575991535355
Energy: 0.3476021762642864
Energy: 0.252982667913586
Energy: 0.3476021762649517
Energy: 0.773772042143047
Energy: 0.39261960048772965
Energy: 0.22313062397960895
Energy: 0.39261960048639905
Energy: 0.5245689081144801
Energy: 0.46651442113869557
Energy: 0.7876802449623082
Energy: 0.46651442113869557
Energy: 0.9151876256343829
Energy: 0.4020578476029669
Energy: 0.4052624431436209
Energy: 0.4020578476023016
Energy: 0.4810388160704597
Energy: 0.4708804427348816
Energy: 0.47750209767989227
Energy: 0.4708804427342163
Energy: 0.46515608391290636
Energy: 0.4401813643632145
Energy: 0.7487001283175844
Energy: 0.4401813643618838
Energy: 0.11800450089691067
Energy: 0.3116617520925989
Energy: 0.5759531539591816
Energy: 0.31166175209060293
Energy: 0.2964057949571736
Energy: 0.37839598558332393
Energy: 0.9719195557041486
Energy: 0.37839598558332393
Energy: 0.26764378909629233
Energy: 0.34087832617223207
Energy: 0.8061469349471041
Energy: 0.34087832617223207
Energy: -0.1476554123031079
Energy: 0.11852528975537517
Energy: 0.6571199424770264
Energy: 0.11852528975604047
Energy: 0.03126197001446295
Energy: 0.25924505015390126
Energy: 0.8497404578846084
Energy: 0.25924505015456656
Energy: -0.12237459453320643
Energy: -0.016128018742984654
Energy: 0.8991752340997671
Energy: -0.016128018742984654
Energy: -0.3545139815794254
Energy: -0.1650847307121559
Energy: 0.8517039254091828
Energy: -0.16508473071082533
Energy: -0.09501105615805382
Energy: -0.13732904965317833
Energy: 0.712798755838065
Energy: -0.1373290496545089
Energy: -0.266109406431126
Energy: -0.19439782927321994
Energy: 0.8368683134329192
Energy: -0.19439782927255464
Energy: -0.07681455946151979
Energy: -0.15957993834613923
Energy: 0.9052721916738535
Energy: -0.15957993834547393
Energy: 0.2546978052458391
Energy: 0.22328323744521558
Energy: 0.8051122937721106
Energy: 0.2232832374445503
Energy: -0.153589355702696
Energy: 0.1421950263501485
Energy: 0.7213788871284273
Energy: 0.1421950263501485
Energy: 0.19589265232433933
Energy: 0.19419885275439966
Energy: 0.7883637566817537
Energy: 0.19419885275439966
Energy: 0.24622720983843296
Energy: 0.4189726326494069
Energy: 0.695603996187719
Energy: 0.4189726326480762
Energy: 0.18274374128709575
Energy: 0.3047440403957843
Energy: 0.6199362409810714
Energy: 0.3047440403957843
Energy: 0.6841025320256335
Energy: 0.4438942007062953
Energy: 1.0621751928717817
Energy: 0.4438942007062953
Energy: 0.3545639062186435
Energy: 0.406376482256732
Energy: 0.6878358871106015
Energy: 0.4063764822560667
Energy: 0.8255934191834831
Energy: 0.6265407796506605
Energy: 0.4349776800979361
Energy: 0.6265407796499951
Energy: 0.6245369269445238
Energy: 0.40361830880768523
Energy: 0.5554176971812415
Energy: 0.4036183088056893
Energy: 0.6337735143919626
Energy: 0.49408105343076736
Energy: 0.1757949631953713
Energy: 0.49408105343143266
Energy: 0.8837801369173398
Energy: 0.45270781653624664
Energy: 0.17363268625727027
Energy: 0.45270781653691194
Energy: 0.6320980365332206
Energy: 0.0644244739039411
Energy: 0.34123358257731046
Energy: 0.06442447390327581
Energy: 0.796328876799721
Energy: 0.1320501986120316
Energy: -0.054044920670037855
Energy: 0.1320501986113663
Energy: 1.0633237573741052
Energy: 0.2689583664875991
Energy: 0.04858725985506216
Energy: 0.2689583664875991
Energy: 0.9407821059539827
Energy: -0.19056297657530635
Energy: 0.011998255454997653
Energy: -0.19056297657530635
Energy: 0.8236749107804681
Energy: -0.08728315447332344
Energy: -0.15478777030437657
Energy: -0.08728315447066225
Energy: 0.940822992115211
Energy: -0.03487229464536028
Energy: -0.19467314162479343
Energy: -0.03487229464402969

minimum gb energy = -0.3545139815794254 eV
minimum distance =  2.32999981539962 Angstroms
sigma value = 85


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

Energy: 0.9831663253381182
Energy: 0.5090502126747279
Energy: -0.21354347781270558
Energy: 0.5090502126753049
Energy: 1.1686016484797697
Energy: 0.157951957978792
Energy: -0.04948187540553175
Energy: 0.157951957978792
Energy: 0.894991056869198
Energy: 0.047481948737899564
Energy: -0.1284640780529498
Energy: 0.047481948737899564
Energy: 0.709482326626505
Energy: 0.04283436845477847
Energy: 0.15266307773476906
Energy: 0.04283436845535547
Energy: 0.8805033449297526
Energy: 0.36931175872773486
Energy: 0.23522894114978615
Energy: 0.36931175872773486
Energy: 0.6488423191158856
Energy: 0.36702099965300766
Energy: 0.1220683855802964
Energy: 0.3670209996535847
Energy: 0.6397615181068461
Energy: 0.3179599894112027
Energy: 0.380761747759285
Energy: 0.3179599894112027
Energy: 1.0072235458839451
Energy: 0.3354841648367209
Energy: 0.41017244662088315
Energy: 0.33548416483614385
Energy: 0.5927991053338616
Energy: 0.36113020288288744
Energy: 0.4313508677072182
Energy: 0.36113020288288744
Energy: 0.6441551436705828
Energy: 0.41538111477749856
Energy: 0.6667717739858264
Energy: 0.41538111477749856
Energy: 0.2504041014301224
Energy: 0.29748607108280967
Energy: 0.6973706150849673
Energy: 0.29748607108338676
Energy: 0.38412129018419133
Energy: 0.4391580267410023
Energy: 0.5951191023572093
Energy: 0.4391580267410023
Energy: 0.49233620771802866
Energy: 0.34188389126355245
Energy: 0.8932282984108733
Energy: 0.3418838912629754
Energy: 0.07818254370251672
Energy: 0.3374888520124864
Energy: 0.703871506410199
Energy: 0.3374888520124864
Energy: 0.4175684220604697
Energy: 0.3060806508469089
Energy: 0.7434917452312084
Energy: 0.30608065084633196
Energy: 0.22288450468204243
Energy: 0.31542410045519614
Energy: 0.7895220067357653
Energy: 0.31542410045519614
Energy: -0.12444351093927931
Energy: 0.0790253071836612
Energy: 0.7334940307422491
Energy: 0.07902530718423821
Energy: 0.02722894038693662
Energy: 0.04221464284698599
Energy: 0.758664624761508
Energy: 0.04221464284756301
Energy: -0.05930595356454677
Energy: -0.3998817582994674
Energy: 1.1118926213823959
Energy: -0.3998817582988904
Energy: -0.36342080127769855
Energy: -0.14089359174016475
Energy: 0.9164686623831502
Energy: -0.14089359174016475
Energy: -0.023582698080288945
Energy: -0.15544339585867437
Energy: 1.0135829531335097
Energy: -0.15544339585752034
Energy: -0.40617358810744164
Energy: -0.41973855915974256
Energy: 0.8439596163032428
Energy: -0.41973855915974256
Energy: -0.06336580889555883
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Energy: 1.0412587111460418
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Energy: 0.8861378831285758
Energy: 0.11330413530416641
Energy: -0.21407118701879024
Energy: 1.1030404616194591
Energy: 0.8630338929158397
Energy: 1.1030404616194591
Energy: 0.19188424933735662
Energy: 0.6097722020655489
Energy: 1.0951671436412638
Energy: 0.609772202064972
Energy: 0.18483522356953097
Energy: 0.28832977495440554
Energy: 0.9259145513030059
Energy: 0.2883297749538286
Energy: 0.7648369881980287
Energy: 0.2294184541120431
Energy: 0.5530639313232483
Energy: 0.22941845411149234
Energy: 0.6029255949157533
Energy: 0.428751069859413
Energy: 0.8095985155391892
Energy: 0.42875106985999
Energy: 0.4054974861166039
Energy: 0.35593606222300894
Energy: 0.5708941995147142
Energy: 0.35593606222300894
Energy: 0.5512429900243407
Energy: 1.1189638947611906
Energy: 0.4117950463276024
Energy: 1.1189638947611906
Energy: 0.5103105921483284
Energy: 0.3188305707646176
Energy: 0.8957493402067982
Energy: 0.3188305707646176
Energy: 0.6666714574788544
Energy: 0.3419548945177865
Energy: 0.3472853870943917
Energy: 0.3419548945177865
Energy: 1.118999135145116
Energy: 0.36175007456799707
Energy: 0.3378367767446094
Energy: 0.36175007456742014
Energy: 0.6586197500652772
Energy: 0.1899927351419487
Energy: 0.007741952039151567
Energy: 0.1899927351431027
Energy: 0.73421737899209
Energy: 0.32869483462857346
Energy: 0.17743450300161615
Energy: 0.3286948346291505
Energy: 0.8967751642368379
Energy: 0.20313920435132965
Energy: 0.18541085942597366
Energy: 0.20313920435421468
Energy: 0.6803309404013652
Energy: -0.010383572503919636
Energy: -0.30624503830328553
Energy: -0.010383572505073655
Energy: 0.7704805672810962
Energy: 0.16030607891400872
Energy: -0.032026187559121615
Energy: 0.16030607891343174
Energy: 0.9705008174095656
Energy: -0.13048645547606413
Energy: -0.07195224315034386
Energy: -0.13048645547664117
Energy: 0.7213439419966838
Energy: -0.3832739201924782
Energy: -0.34771547681142784
Energy: -0.38327392019190115
Energy: 0.8945779863433628
Energy: 0.12749060958780056
Energy: -0.13747725474474576
Energy: 0.12749060958780056
Energy: 0.8387883365759217
Energy: -0.40505181244879884
Energy: -0.2381785550936533
Energy: -0.4050518124499529

minimum gb energy = -0.41973855915974256 eV
minimum distance =  2.30265504327187 Angstroms
sigma value = 113


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

Energy: 0.015450903095683872
Energy: 0.22780097395008717
Energy: 0.7136139703110054
Energy: 0.22779784111296184
Energy: 1.050644354340071
Energy: -0.4975232323161067
Energy: 0.2578136054367945
Energy: -0.4975232323165257
Energy: -0.3857908179734062
Energy: -0.48018021089192153
Energy: 1.2978459916706933
Energy: -0.4801802108915026
Energy: 0.017223130610720658
Energy: -0.2582033700667662
Energy: 1.0268117376888044
Energy: -0.25820337006632255
Energy: 0.9562493491048272
Energy: -0.24975324703240986
Energy: 0.4597438791220853
Energy: -0.2497532470319663
Energy: -0.38448819966007647
Energy: 0.22095329149601312
Energy: 0.1595566808127081
Energy: 0.22095329149556955

minimum gb energy = -0.4975232323165257 eV
minimum distance =  2.27679593865061 Angstroms
sigma value = 1