Model name: model_name=EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.051526293158533
cohesive_energy=3.3624417440272794
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.09114492093046e-19, 2.64508147036962e-19, 3.1174351856055e-19, 3.47369518194174e-19, 3.7496701071482396e-19, 3.9774836027366994e-19, 4.1717154760765195e-19, 4.340296501506e-19, 4.489571298495779e-19, 4.62498726760146e-19, 4.747778084831219e-19, 4.85584489879452e-19, 4.9487230782675e-19, 5.0286716923041e-19, 5.09827024528506e-19, 5.15921704444242e-19, 5.212393286924879e-19, 5.258295647488979e-19, 5.29714843086348e-19, 5.329127876478119e-19, 5.35425000609924e-19, 5.372322558530759e-19, 5.383201337875619e-19, 5.386806235302119e-19, 5.38289692431516e-19, 5.370399946569959e-19, 5.34833797431978e-19, 5.316006049845659e-19, 5.272731258961319e-19, 5.21731196919126e-19, 5.14748911148154e-19, 5.05944950544324e-19, 4.94761757639004e-19, 4.80459126827286e-19, 4.6211580654462e-19, 4.38855406172208e-19, 4.1034947950007995e-19, 3.77302984247196e-19, 3.4066440898088396e-19, 2.98764285648516e-19, 2.45112196705758e-19, 1.6979227096478399e-19, 6.189560816001479e-20, -9.373790745478439e-20, -3.2946839866249197e-19, -6.92185166833752e-19, -1.270292152973436e-18, -2.4670636245658796e-18, -5.06683553972598e-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: -9.23201098901316e-12 eV

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

Energy: 0.010323693708843654
Energy: 0.11389781388838026
Energy: 0.4802453610451649
Energy: 0.11389781388985053
Energy: 0.11389781388985053
Energy: 0.5476400768918344
Energy: 0.11389781388935119
Energy: 0.5476400768937761
Energy: 0.4802453610456365
Energy: 0.1138978138888796
Energy: 0.010323693708843654
Energy: 0.11389781389132082
Energy: 0.11389781388838026
Energy: 0.5476400768923059
Energy: 0.1138978138888796
Energy: 0.5476400768937761

minimum gb energy = 0.010323693708843654 eV
minimum distance =  2.84672880816297 Angstroms
sigma value = 1


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

Energy: 1.0252693540980384
Energy: 0.7825430703600429
Energy: 0.7848140896122756
Energy: 0.7825430703594373
Energy: 0.7308634079375594
Energy: 0.8135536801697533
Energy: 0.7311900737077078
Energy: 0.8135536801709644
Energy: 0.7832017217504847
Energy: 0.7828870936890001
Energy: 0.7302214931806134
Energy: 0.7828870936890001
Energy: 0.7326076328548595
Energy: 0.730314821249446
Energy: 0.7310209105860852
Energy: 0.7303148212506573
Energy: 0.7594504008905443
Energy: 0.7313599321168611
Energy: 0.7318068938030066
Energy: 0.7313599321174666
Energy: 0.7624688702737147
Energy: 0.8181918565068482
Energy: 0.7313853191914665
Energy: 0.8181918565068482
Energy: 0.7617980675693662
Energy: 0.767689967894041
Energy: 0.7597564665368619
Energy: 0.767689967894041
Energy: 0.7628987509962201
Energy: 0.7618678359320529
Energy: 0.8029302400167505
Energy: 0.7618678359314472
Energy: 0.7797664577060149
Energy: 0.8416274449725757
Energy: 0.781454564957614
Energy: 0.8416274449719701
Energy: 0.822491157272358
Energy: 0.8283109611819491
Energy: 0.7816810450021281
Energy: 0.8283109611825547
Energy: 0.7766547101509155
Energy: 0.8408116542715807
Energy: 0.7809398273203444
Energy: 0.8408116542721586
Energy: 0.7628462892567932
Energy: 0.8437613540566374
Energy: 0.8017708294359123
Energy: 0.843761354057243
Energy: 0.767132523427606
Energy: 0.7681627328834675
Energy: 0.7370210266501247
Energy: 0.7681627328877066
Energy: 0.7650211954437629
Energy: 0.7609483374905548
Energy: 0.7818511499524582
Energy: 0.7609483374899493
Energy: 0.7364721898491903
Energy: 0.7303331817839775
Energy: 0.7308116174095253
Energy: 0.7303331817827664
Energy: 0.7505905845095395
Energy: 0.7305096794982672
Energy: 0.7308881684984205
Energy: 0.7305096794976617
Energy: 0.783767056978116
Energy: 0.7825323795336068
Energy: 0.7226112077849958
Energy: 0.7825323795342123
Energy: 0.7309914748757436
Energy: 0.7307164242963147
Energy: 0.7374266080359342
Energy: 0.730716424295709
Energy: 0.729816566578356
Energy: 0.7828536636422604
Energy: 0.7843613687130874
Energy: 0.7828536636422604
Energy: 0.7597477548194158
Energy: 0.729597439467745
Energy: 0.7324404211456669
Energy: 0.7295974394683508
Energy: 0.7302962421859764
Energy: 0.7310449199408897
Energy: 0.7596172189962006
Energy: 0.7310449199408897
Energy: 0.7316049105395034
Energy: 0.730112375378
Energy: 0.7623421661026306
Energy: 0.7301123753773943
Energy: 0.7598427586202291
Energy: 0.7661431829658928
Energy: 0.7602237078577792
Energy: 0.7661431829658928
Energy: 0.8033658560499105
Energy: 0.7640845854825142
Energy: 0.7621140386977108
Energy: 0.7640845854819086
Energy: 0.7823140369866868
Energy: 0.8516254288305205
Energy: 0.8437826194390836
Energy: 0.8516254288299148
Energy: 0.7820470967215862
Energy: 0.8290808932660976
Energy: 0.824301028542993
Energy: 0.8290808932660976
Energy: 0.7800924840623722
Energy: 0.8407753259622166
Energy: 0.7772873421455174
Energy: 0.8407753259622166
Energy: 0.8267370908529611
Energy: 0.8432804774277919
Energy: 0.763000568967343
Energy: 0.8432804774265806
Energy: 0.7372150926404647
Energy: 0.7686368123067838
Energy: 0.7678842681160184
Energy: 0.7686368123061782
Energy: 0.781971755500928
Energy: 0.7606896164513846
Energy: 0.7666288659383049
Energy: 0.760689616453807
Energy: 0.7301759409032224
Energy: 0.7302575804217285
Energy: 0.7363589647248417
Energy: 0.7302575804205174
Energy: 0.7307728317259486
Energy: 0.7305184491972161
Energy: 0.7507696017683972
Energy: 0.7305184491984272
Energy: 0.7221715678798871
Energy: 0.7332641328371143
Energy: 0.7837940914010427
Energy: 0.7332641328340862

minimum gb energy = 0.7221715678798871 eV
minimum distance =  2.6185681634552 Angstroms
sigma value = 1


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

Energy: 1.1618238709121649
Energy: 0.8165254110046269
Energy: 0.8161522010457626
Energy: 0.8165254110066984
Energy: 0.7596401963574125
Energy: 0.8445558931419019
Energy: 0.7602484099434851
Energy: 0.8445558931453544
Energy: 0.815988370281418
Energy: 0.8168176844439202
Energy: 0.7581138071668899
Energy: 0.8168176844418489
Energy: 0.7619124993655906
Energy: 0.7597651395771863
Energy: 0.7600391547436604
Energy: 0.7597651395778768
Energy: 0.7586893680518881
Energy: 0.760555431110667
Energy: 0.7588176310874565
Energy: 0.760555431113429
Energy: 0.7983330961867106
Energy: 0.7603894406484709
Energy: 0.7611436059266555
Energy: 0.760389440645709
Energy: 0.7996811842876959
Energy: 0.8148555225959774
Energy: 0.7950226431677079
Energy: 0.8148555225932154
Energy: 0.7984259951130118
Energy: 0.7979515555889617
Energy: 0.838533776648123
Energy: 0.7979515555903427
Energy: 0.797256776160271
Energy: 0.8848341750604188
Energy: 0.8104364293642925
Energy: 0.8848341750631807
Energy: 0.8657127434093873
Energy: 0.8761184634576277
Energy: 0.7995072300406452
Energy: 0.8761184634610801
Energy: 0.7698642737752094
Energy: 0.8148094775209583
Energy: 0.8092758859496126
Energy: 0.8148094775188869
Energy: 0.7704674277228678
Energy: 0.8264160325530618
Energy: 0.798147946853864
Energy: 0.8264160325523713
Energy: 0.7600209349198147
Energy: 0.7602906643945414
Energy: 0.7686971477784409
Energy: 0.7602906643938508
Energy: 0.7595543017420602
Energy: 0.7589692439437785
Energy: 0.7470883979007015
Energy: 0.7589692439417071
Energy: 0.7468186316507904
Energy: 0.8167028937984253
Energy: 0.8162600485290705
Energy: 0.8167028938011872
Energy: 0.7694413304626487
Energy: 0.7594385128997847
Energy: 0.7602491086031286
Energy: 0.7594385129011657
Energy: 0.8162875770762139
Energy: 0.816752399893487
Energy: 0.7582304827745243
Energy: 0.816752399894868
Energy: 0.7622522959930514
Energy: 0.7595911001936495
Energy: 0.7984672736350861
Energy: 0.7595911001929592
Energy: 0.7585117913322491
Energy: 0.760398813646339
Energy: 0.7601214643670297
Energy: 0.7603988136449581
Energy: 0.7977164148965321
Energy: 0.759436636138302
Energy: 0.7612101340861639
Energy: 0.759436636136921
Energy: 0.7967251294961302
Energy: 0.792935399140215
Energy: 0.795227628300652
Energy: 0.7929353991395245
Energy: 0.7966732603356391
Energy: 0.8097791983698926
Energy: 0.8385796215614685
Energy: 0.8097791983685118
Energy: 0.7978495688821655
Energy: 0.8881267249870439
Energy: 0.8090528463500709
Energy: 0.8881267249835915
Energy: 0.8669217341128838
Energy: 0.8849667127981307
Energy: 0.7974786563172228
Energy: 0.884966712800202
Energy: 0.7704979368857668
Energy: 0.8152202637975324
Energy: 0.8111493077461845
Energy: 0.8152202638651682
Energy: 0.7706286847943291
Energy: 0.7925861251287265
Energy: 0.7995608341586253
Energy: 0.7925861251204407
Energy: 0.7599758483599994
Energy: 0.7600202486446731
Energy: 0.7693827710276031
Energy: 0.7600202486398397
Energy: 0.7594782271065293
Energy: 0.7598232849620247
Energy: 0.7478869563278758
Energy: 0.7598232849689294
Energy: 0.746536396249229
Energy: 0.7624480692148752
Energy: 0.8159668590610413
Energy: 0.7624480692183278

minimum gb energy = 0.746536396249229 eV
minimum distance =  2.61503056032401 Angstroms
sigma value = 25


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

Energy: 1.1833130706124348
Energy: 0.8614550317534764
Energy: 0.8618204194620036
Energy: 0.8614550317534764
Energy: 0.8020199934145652
Energy: 0.885593614430951
Energy: 0.8330363786010326
Energy: 0.8855936144301483
Energy: 0.8624190558855936
Energy: 0.8623245164765632
Energy: 0.9513193766815152
Energy: 0.8623245164757605
Energy: 0.8050577986129506
Energy: 0.9169484258635252
Energy: 0.8025732401032195
Energy: 0.9169484258635252
Energy: 0.7835812740487414
Energy: 0.803855470167868
Energy: 0.8035137066412622
Energy: 0.8038554701670654
Energy: 0.8550359520825509
Energy: 0.8043237449567411
Energy: 0.8031311526074517
Energy: 0.8043237449567411
Energy: 0.8367099411386227
Energy: 0.8956227710473806
Energy: 0.8298449287207751
Energy: 0.895622771046578
Energy: 0.8358120050996156
Energy: 0.8951344400144983
Energy: 0.8979547371464914
Energy: 0.8951344400120902
Energy: 0.836623932010282
Energy: 0.9009878111416603
Energy: 0.8037774347720543
Energy: 0.9009878111416603
Energy: 0.8377169698341076
Energy: 0.9021630507934573
Energy: 0.817003466123798
Energy: 0.902163050791852
Energy: 0.812638254721437
Energy: 0.8408291483497811
Energy: 0.8391984176051809
Energy: 0.8408291483481757
Energy: 0.7868655569343728
Energy: 0.8106885309457953
Energy: 0.8389527917719286
Energy: 0.8106885309433872
Energy: 0.7796643149404082
Energy: 0.7797226089524423
Energy: 0.7699328907704088
Energy: 0.7797226089524423
Energy: 0.780233316588575
Energy: 0.7702479895061285
Energy: 0.8077184614742255
Energy: 0.7702479895069312
Energy: 0.7835176257286396
Energy: 0.898894922858616
Energy: 0.8986770870254379
Energy: 0.8988949228594186
Energy: 0.8871977683853606
Energy: 0.9031497074437937
Energy: 0.8129538088507368
Energy: 0.9031497074437937
Energy: 0.8075974207502292
Energy: 0.8084802595351508
Energy: 0.783558049608997
Energy: 0.8084802595351508
Energy: 0.8084002852919114
Energy: 0.8074822679157766
Energy: 0.852488655119017
Energy: 0.8074822679149739
Energy: 0.8305636139142578
Energy: 0.8877381100429191
Energy: 0.8434602124867211
Energy: 0.8877381100429191
Energy: 0.8250491378352975
Energy: 0.8864202032766325
Energy: 0.8390808561933051
Energy: 0.8864202032774352
Energy: 0.8028783543974649
Energy: 0.8943171485084237
Energy: 0.8389437921300673
Energy: 0.894317148510029
Energy: 0.8027876408318408
Energy: 0.8981766872083939
Energy: 0.8397675488363172
Energy: 0.8981766872075913
Energy: 0.8018959876201116
Energy: 0.8025405085586829
Energy: 0.8129544942714526
Energy: 0.8025405085602701
Energy: 0.8019266949081599
Energy: 0.8023231287233662
Energy: 0.8125010894321428
Energy: 0.8023231287241689
Energy: 0.8113110951960744
Energy: 0.8344345244416009
Energy: 0.861101134205953
Energy: 0.8344345244424036

minimum gb energy = 0.7699328907704088 eV
minimum distance =  2.59626075675237 Angstroms
sigma value = 9


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

Energy: 1.0396343728852029
Energy: 0.8878536045543818
Energy: 0.8874168020478439
Energy: 0.8878536045543818
Energy: 0.8260047888036927
Energy: 0.9027567146179654
Energy: 0.8260457279720311
Energy: 0.902756714617008
Energy: 0.8873165265150131
Energy: 0.8882589961168601
Energy: 0.8822099555940259
Energy: 0.8882589961159026
Energy: 0.821969500910832
Energy: 0.9033457176060339
Energy: 0.8259210255169674
Energy: 0.9033457176050763
Energy: 0.8212876760704049
Energy: 0.8273288488216536
Energy: 0.8252377743151029
Energy: 0.827328848820696
Energy: 0.8203580424025486
Energy: 0.8289402196327799
Energy: 0.8271275393260529
Energy: 0.8289402196318225
Energy: 0.8530226505435184
Energy: 0.9303255841840287
Energy: 0.8251904874940369
Energy: 0.9303255841830713
Energy: 0.8277544095035047
Energy: 0.926715586549191
Energy: 0.8300794389278213
Energy: 0.9267155865501484
Energy: 0.8248302620966064
Energy: 0.828757912111394
Energy: 0.7900348939784717
Energy: 0.8287579121133091
Energy: 0.8278609101055886
Energy: 0.903581836438844
Energy: 0.7901851005613106
Energy: 0.9035818364398015
Energy: 0.7869782280867956
Energy: 0.8884377255189602
Energy: 0.8873833112804891
Energy: 0.8884377255199177
Energy: 0.8478168981496651
Energy: 0.8271836544862853
Energy: 0.826229678716382
Energy: 0.8271836544862853
Energy: 0.8891241538726189
Energy: 0.8879716196369716
Energy: 0.8822994621851511
Energy: 0.8879716196369716
Energy: 0.8887213201771073
Energy: 0.9026756980034
Energy: 0.8828226770082128
Energy: 0.9026756980043575
Energy: 0.8210860892905048
Energy: 0.8266879839252266
Energy: 0.8275204493522981
Energy: 0.8266879839242691
Energy: 0.8205361903319441
Energy: 0.8270741504575154
Energy: 0.8271804176095153
Energy: 0.8270741504565579
Energy: 0.8494991868113514
Energy: 0.9321582467842051
Energy: 0.8272837813556174
Energy: 0.9321582467832475
Energy: 0.847414021578943
Energy: 0.9264306463759321
Energy: 0.8263653254117563
Energy: 0.9264306463759321
Energy: 0.8252224001671522
Energy: 0.8283316407866357
Energy: 0.7897372247715452
Energy: 0.8283316407875931
Energy: 0.8273127536404948
Energy: 0.8288925500004216
Energy: 0.7901576276319685
Energy: 0.8288925500004216
Energy: 0.7871335160943991
Energy: 0.8210026535634791
Energy: 0.8887771326659374
Energy: 0.8210026535644365

minimum gb energy = 0.7869782280867956 eV
minimum distance =  2.64285022435775 Angstroms
sigma value = 25


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

Energy: 0.9318742544433078
Energy: 0.9194904176773367
Energy: 0.9173885685769904
Energy: 0.919490417642996
Energy: 0.919548467054497
Energy: 0.8826203283668737
Energy: 0.825072199032339
Energy: 0.8826203283668737
Energy: 0.9172713915765959
Energy: 0.9203981798104698
Energy: 0.9117289033153767
Energy: 0.9203981798104698
Energy: 0.9216515751000973
Energy: 0.8827625082955133
Energy: 0.8248630314464463
Energy: 0.8827625082943292
Energy: 0.8205189858672669
Energy: 0.8688766745023911
Energy: 0.8251314954414029
Energy: 0.868876674501207
Energy: 0.8024125990154944
Energy: 0.82563608390296
Energy: 0.8234144929828038
Energy: 0.8256360839017759
Energy: 0.8012786609377819
Energy: 0.8255080981142464
Energy: 0.8269085425386448
Energy: 0.8255080981154306
Energy: 0.8002982311847361
Energy: 0.8826595033518662
Energy: 0.825797306203557
Energy: 0.8826595033518662
Energy: 0.9173838612856495
Energy: 0.9199570261127485
Energy: 1.0233760295580772
Energy: 0.9199570261127485
Energy: 0.9196468220979467
Energy: 0.883109079968228
Energy: 0.9231566540163285
Energy: 0.883109079968228
Energy: 0.9125090351103349
Energy: 0.9188433651781287
Energy: 0.9201013891985472
Energy: 0.9188433651781287
Energy: 0.9140776766986249
Energy: 0.8835657290827832
Energy: 0.9214196501434168
Energy: 0.8835657290827832
Energy: 0.8243507121747015
Energy: 0.8720703209258297
Energy: 0.8199882500316437
Energy: 0.8720703209258297
Energy: 0.8255632355578155
Energy: 0.8722897155032744
Energy: 0.8042157554327846
Energy: 0.8722897155044587
Energy: 0.8669428607600088
Energy: 0.8266957849912431
Energy: 0.8000241631185607
Energy: 0.8266957848397506
Energy: 0.8243267518531338
Energy: 0.9255180064743065
Energy: 0.800249402881718
Energy: 0.9255180064743065
Energy: 1.0583829717262339
Energy: 0.8044008566524828
Energy: 0.9213679072613282
Energy: 0.8044008566524828

minimum gb energy = 0.8000241631185607 eV
minimum distance =  2.68697746472151 Angstroms
sigma value = 17


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

Energy: 1.2667455729932418
Energy: 1.0089161330713787
Energy: 1.0078130078060172
Energy: 1.0089161330264753
Energy: 0.880755179815901
Energy: 0.8862528933053074
Energy: 0.9700485021280564
Energy: 0.8862528932952476
Energy: 0.8774988365690365
Energy: 0.8775848020490111
Energy: 1.0053319401664333
Energy: 0.8775848020490111
Energy: 0.8813062836717677
Energy: 0.8810463826845545
Energy: 0.8843478663325408
Energy: 0.8810463826912611
Energy: 0.8792758142191234
Energy: 0.9441101890720889
Energy: 0.8215098814925126
Energy: 0.9441101890727595
Energy: 0.8855792440393949
Energy: 0.9521203735786251
Energy: 0.8805752914995879
Energy: 0.9521203735772839
Energy: 0.9326386979622548
Energy: 0.8772214430387852
Energy: 0.8746528515627444
Energy: 0.8772214430387852
Energy: 1.0310441842006022
Energy: 0.8901916308256635
Energy: 0.8792161508089643
Energy: 0.8901916308256635
Energy: 1.010896137149909
Energy: 1.0093081620240736
Energy: 1.0031954212420888
Energy: 1.009308162023403
Energy: 1.0159909297104124
Energy: 0.9505498530529951
Energy: 0.9661239444798755
Energy: 0.9505498530529951
Energy: 0.8752625023742889
Energy: 0.8384774338023198
Energy: 0.831842337686074
Energy: 0.8384774338029903
Energy: 0.9516998935154067
Energy: 0.8342983913298306
Energy: 0.8372972761606817
Energy: 0.8342983913284895
Energy: 0.9370795311598539
Energy: 0.8576589803192981
Energy: 0.8539140782354696
Energy: 0.8576589803192981
Energy: 0.9376269973169197
Energy: 0.8876259067635043
Energy: 0.8331486397610353
Energy: 0.8876259067635043
Energy: 1.0105506500611485
Energy: 0.9538070878530016
Energy: 1.0755954852827239
Energy: 0.9538070878811387
Energy: 1.0125416578610276
Energy: 0.9538435150261835
Energy: 1.075038899385947
Energy: 0.9538435144872209
Energy: 1.0044520791132856
Energy: 0.8870731143745968
Energy: 0.8788244702983447
Energy: 0.8870731143752676
Energy: 1.00462401014091
Energy: 0.8865208567756093
Energy: 0.8752228824361847
Energy: 0.88652085677628
Energy: 0.8874558616843344
Energy: 0.9513624358436888
Energy: 0.882343205054908
Energy: 0.9513624358745391
Energy: 0.8902014559199228
Energy: 0.9238210185530785
Energy: 0.8821101137196437
Energy: 0.9238210185530785
Energy: 0.8793971033864603
Energy: 0.8875063343210585
Energy: 0.9525286999109381
Energy: 0.8875063343217292
Energy: 0.8782414824365599
Energy: 0.878382047884762
Energy: 0.9326935180166739
Energy: 0.8783820478840915
Energy: 0.9584205950931695
Energy: 0.9479856178534174
Energy: 1.0090150211645037
Energy: 0.947985617852076
Energy: 1.0033666512400334
Energy: 1.008694402209315
Energy: 1.0056188068478693
Energy: 1.0086944022079738
Energy: 0.8368861037596551
Energy: 0.8881461502758272
Energy: 0.9536707370462345
Energy: 0.8881461502751565
Energy: 0.8354103481659294
Energy: 0.855337306153182
Energy: 0.8786385492135215
Energy: 0.8553373061525114
Energy: 0.8317309712869808
Energy: 0.836727850248088
Energy: 0.9514313090694533
Energy: 0.8367278502487586
Energy: 0.8401322489568752
Energy: 0.8354816343934574
Energy: 0.9365397786080588
Energy: 0.8354816344752468
Energy: 0.8348604018058621
Energy: 0.8867427483765108
Energy: 0.9368406107794873
Energy: 0.8867427483771814
Energy: 1.0751572139044137
Energy: 1.0084085785501622
Energy: 1.0061834403122851
Energy: 1.0084085785481505

minimum gb energy = 0.8215098814925126 eV
minimum distance =  2.62039071538333 Angstroms
sigma value = 53


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

Energy: 1.1504716230402265
Energy: 0.9310244021855699
Energy: 0.9317631178521744
Energy: 0.9310244021871139
Energy: 0.9283003862364928
Energy: 0.8404541608230195
Energy: 0.9285122153520301
Energy: 0.8404541608245635
Energy: 0.9309681014672714
Energy: 0.9339375384099041
Energy: 0.9526510177101652
Energy: 0.9339375384099041
Energy: 0.9338495854107738
Energy: 0.8416318976580137
Energy: 0.9297563527528879
Energy: 0.8416318976580137
Energy: 0.9430057444634112
Energy: 0.8406544759381188
Energy: 0.7669090826409629
Energy: 0.8406544759381188
Energy: 0.9312391721689379
Energy: 0.8448905509554493
Energy: 0.7726492159182988
Energy: 0.8448905509554493
Energy: 1.0781873267052269
Energy: 0.9297925380498643
Energy: 0.9287525231312219
Energy: 0.9297925380514083
Energy: 1.0780459918484386
Energy: 0.8428232948218889
Energy: 0.9285699495157541
Energy: 0.8428232948218889
Energy: 0.9315322538517135
Energy: 0.9312088347018129
Energy: 0.9311170876310167
Energy: 0.9312088347002689
Energy: 0.9279373114958718
Energy: 0.8432477135507777
Energy: 0.9298533020328031
Energy: 0.8432477135523216
Energy: 0.929723513863094
Energy: 0.8448743891282804
Energy: 0.7747370899025882
Energy: 0.8448743891298243
Energy: 0.9336718414386107
Energy: 0.8396753933277014
Energy: 0.7630850487479388
Energy: 0.8396753933277014
Energy: 1.0783178121122061
Energy: 0.8439115447882114
Energy: 0.9303374884340726
Energy: 0.8439115447882114

minimum gb energy = 0.7630850487479388 eV
minimum distance =  2.67851989705765 Angstroms
sigma value = 9


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

Energy: 1.1236896259389784
Energy: 1.0578408121318013
Energy: 1.0568752475925165
Energy: 1.0578408121323728
Energy: 0.850289857460375
Energy: 0.8497766952192612
Energy: 1.0504700879409687
Energy: 0.8497766952192612
Energy: 0.8514734310382263
Energy: 0.8500328588094581
Energy: 1.0473910816043832
Energy: 0.8500328588100295
Energy: 0.8464545479080533
Energy: 0.8504924542203204
Energy: 1.106100292301537
Energy: 0.8504924542203204
Energy: 0.851366475223107
Energy: 0.8515673681789839
Energy: 1.1063077410200342
Energy: 0.8515673681789839
Energy: 0.8496950949831574
Energy: 0.8511631704025348
Energy: 1.1084773056287236
Energy: 0.8511631704036777
Energy: 1.0462195935305345
Energy: 1.0371005823518324
Energy: 1.0489797616723622
Energy: 1.0371005823529755
Energy: 1.0478972867147973
Energy: 0.8508648752466573
Energy: 1.036016652529579
Energy: 0.8508648752489432
Energy: 0.907564629747157
Energy: 0.9606232478795069
Energy: 0.9030716771251377
Energy: 0.9606232478806497
Energy: 0.8387791171933816
Energy: 0.9098020775734709
Energy: 1.0342854797247039
Energy: 0.9098020775734709
Energy: 0.9082923120831653
Energy: 0.9150734037076372
Energy: 0.9627595082152209
Energy: 0.9150734037082087
Energy: 0.9089005798246093
Energy: 0.9076527957608408
Energy: 1.105606405758611
Energy: 0.9076527957602692
Energy: 1.0471166041869095
Energy: 0.9122612636319385
Energy: 0.9125921426878607
Energy: 0.9122612636319385
Energy: 1.0481626495608152
Energy: 0.9111237679709966
Energy: 0.910719144167132
Energy: 0.9111237679709966
Energy: 1.0348028143134296
Energy: 0.9097185983417114
Energy: 0.9049752719002379
Energy: 0.9097185982754495
Energy: 0.9690599610881275
Energy: 0.8511490664936453
Energy: 0.9043334650356806
Energy: 0.8511490664530986
Energy: 1.0317165412157134
Energy: 0.8521634404967576
Energy: 0.9147495709501922
Energy: 0.8521634404967576
Energy: 1.0404069294315612
Energy: 1.038062643428892
Energy: 1.1234961478533172
Energy: 1.038062643428892
Energy: 1.0508115090111199
Energy: 0.8494043514981261
Energy: 0.9044841119393225
Energy: 0.8494043515004119
Energy: 1.047585896251559
Energy: 0.8511843531473259
Energy: 0.8530873609655537
Energy: 0.8511843531473259
Energy: 1.0391743740770858
Energy: 0.8501585330892558
Energy: 0.8474352099388751
Energy: 0.8501585330886844
Energy: 1.10559544146968
Energy: 0.8515502469184458
Energy: 0.8505417505955288
Energy: 0.8515502469178744
Energy: 1.1060380376747234
Energy: 0.8522458059726895
Energy: 0.8487474115041997
Energy: 0.8522458059721181
Energy: 1.049272491259097
Energy: 1.0349645147162485
Energy: 1.045953880240691
Energy: 1.0349645147162485
Energy: 1.034741379839445
Energy: 0.9578658369630036
Energy: 1.045948296550467
Energy: 0.9578658369624322
Energy: 0.9037305517923161
Energy: 0.9577003060787815
Energy: 0.9079515528344413
Energy: 0.9577003060782101
Energy: 1.0348902637249229
Energy: 0.9099400397090511
Energy: 0.8395859746748818
Energy: 0.9099400397101941
Energy: 0.9719283303975274
Energy: 0.9127565527311783
Energy: 0.9088719825129109
Energy: 0.9127565527306067
Energy: 1.1247030398821452
Energy: 0.9105170520169864
Energy: 0.9081499233113622
Energy: 0.910517052089534
Energy: 0.9116517984931907
Energy: 0.9100286130401679
Energy: 1.0469845274580498
Energy: 0.9100286130401679
Energy: 0.9117165193288261
Energy: 0.9118352804785349
Energy: 1.042462087626302
Energy: 0.9118352804779634
Energy: 0.9081678370119224
Energy: 0.9107001181272816
Energy: 1.0341965354074363
Energy: 0.9107001181232814
Energy: 0.9037261152269802
Energy: 0.950344251311176
Energy: 0.9684634482626452
Energy: 0.9503442513123188
Energy: 0.913544053973812
Energy: 0.8527819948819161
Energy: 0.9619437015163005
Energy: 0.8527819947014169
Energy: 1.1218524217639034
Energy: 1.0397594734272704
Energy: 1.0384231060490625
Energy: 1.0397594734272704

minimum gb energy = 0.8387791171933816 eV
minimum distance =  2.62023364219524 Angstroms
sigma value = 73


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

Energy: 1.1785504393050528
Energy: 1.0019327655782373
Energy: 1.0118976102890338
Energy: 1.0019327655791437
Energy: 0.8785103961818361
Energy: 0.876492503779962
Energy: 0.9822028715842442
Energy: 0.8764914203547706
Energy: 0.8750901524993425
Energy: 0.8733410868951902
Energy: 1.0125834137563567
Energy: 0.8733410868888436
Energy: 0.8716747975247967
Energy: 0.8760572802780472
Energy: 1.100686945854106
Energy: 0.8760572802771406
Energy: 0.880680124297414
Energy: 0.8786950987835201
Energy: 1.0625363285978253
Energy: 0.8786950987844268
Energy: 0.874038993896713
Energy: 0.8773754634660139
Energy: 1.060629081141857
Energy: 0.8773754634669205
Energy: 0.9248541553400088
Energy: 1.0186915976838848
Energy: 1.042407769302281
Energy: 1.0186915976838848
Energy: 0.9251441586607967
Energy: 0.877038303504598
Energy: 1.0170613754279092
Energy: 0.8770383035055046
Energy: 0.9425717501133031
Energy: 0.8441730251385693
Energy: 1.024080703069154
Energy: 0.8441730251394761
Energy: 0.8978970390944481
Energy: 0.8776957643706402
Energy: 1.0136551849784665
Energy: 0.8776957643697336
Energy: 0.9273867745125428
Energy: 0.8415754022302929
Energy: 0.8447786796587926
Energy: 0.8415754022302929
Energy: 0.9032837512585078
Energy: 0.860862963049522
Energy: 1.0689504819952416
Energy: 0.8608629630486154
Energy: 1.0156130783957593
Energy: 0.9439962204865535
Energy: 0.8985455597078015
Energy: 0.9439962204856468
Energy: 1.0137834049134904
Energy: 0.9220487868982565
Energy: 0.9128678373705695
Energy: 0.9220487868665446
Energy: 1.0432148915778172
Energy: 0.9474075314402237
Energy: 0.9029495858234332
Energy: 0.9474075314384105
Energy: 1.0631064382510271
Energy: 0.9022387911179117
Energy: 0.9031339523863458
Energy: 0.9022387911179117
Energy: 1.0608140666519796
Energy: 0.9448151837220093
Energy: 0.9003980539718038
Energy: 0.9448151837211026
Energy: 0.984431637801286
Energy: 0.9821628668600995
Energy: 0.9245405916284847
Energy: 0.9821628668610061
Energy: 0.9883939958090139
Energy: 0.9513628284539883
Energy: 0.9787169676039017
Energy: 0.9513628284558016
Energy: 0.9763946737918505
Energy: 0.9434548161234858
Energy: 0.981450910952845
Energy: 0.9434548161243924
Energy: 0.9887804831066095
Energy: 0.9734739112050692
Energy: 0.9021314069593397
Energy: 0.9734739112023493
Energy: 1.0573860251859217
Energy: 0.9430894330588194
Energy: 0.9964952334110491
Energy: 0.9430894330588194

minimum gb energy = 0.8415754022302929 eV
minimum distance =  2.60058974203103 Angstroms
sigma value = 7


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

Energy: 1.3474566150173348
Energy: 0.9770476841166611
Energy: 1.0108974487654732
Energy: 0.9770476840839653
Energy: 0.8840211514713175
Energy: 0.8721647477492119
Energy: 0.9674009175176771
Energy: 0.8721647477472887
Energy: 0.8713579645834201
Energy: 0.8697251813256108
Energy: 0.9472215209765428
Energy: 0.8697251813275342
Energy: 0.8639652957001043
Energy: 0.871668725506778
Energy: 1.0888894454240088
Energy: 0.8716687255054958
Energy: 0.884709419308648
Energy: 0.8852912762620165
Energy: 1.034742922904747
Energy: 0.8852912762600933
Energy: 0.8660991576192006
Energy: 0.879008744001043
Energy: 1.0358162461864906
Energy: 0.8790087439965554
Energy: 0.9639341160739532
Energy: 0.8739058121415405
Energy: 0.8657840708457286
Energy: 0.8739058121402583
Energy: 0.9631391186453495
Energy: 0.8769329411456407
Energy: 0.8864839331860066
Energy: 0.8769329411501283
Energy: 1.0486059453943453
Energy: 0.8683989444333318
Energy: 0.8618400298549089
Energy: 0.8683989444371782
Energy: 1.0301211635277647
Energy: 0.8715005276633175
Energy: 0.8748071851319198
Energy: 0.871500527665882
Energy: 0.96852786632408
Energy: 0.874019552994537
Energy: 0.8672895336987101
Energy: 0.874019552776652
Energy: 0.9788324653672567
Energy: 0.97797252698917
Energy: 0.9592101515259311
Energy: 0.97797252698917
Energy: 0.9608147539438371
Energy: 0.931917708805416
Energy: 0.9587277775789107
Energy: 0.9319177088066982
Energy: 0.952400501367104
Energy: 0.9276366210815808
Energy: 0.8681088989923632
Energy: 0.9276366210802988
Energy: 0.9600657264817921
Energy: 0.9310329539538311
Energy: 0.8831475735380789
Energy: 0.9310329539493726
Energy: 0.864899995544547
Energy: 0.9773379383572758
Energy: 0.979259739647864
Energy: 0.9773379383553523
Energy: 0.8647187762834515
Energy: 0.8736942818623458
Energy: 0.968942548023586
Energy: 0.8736942818636281
Energy: 0.8755253746606392
Energy: 0.8716373411212142
Energy: 0.9464050468201491
Energy: 0.871637341119932
Energy: 0.8619239639388906
Energy: 0.8689439261931033
Energy: 0.9679324065919838
Energy: 0.8689439262001262
Energy: 0.885669761714271
Energy: 0.875576774071826
Energy: 0.8684991368256559
Energy: 0.875576774071826
Energy: 0.865550417252723
Energy: 0.8721553797658086
Energy: 1.031215127009781
Energy: 0.8721553797677318
Energy: 0.9625633303815015
Energy: 0.8778193997536037
Energy: 0.8661391824042537
Energy: 0.8778193997465515
Energy: 0.9625806411466615
Energy: 0.8863678304213982
Energy: 0.8899095782851917
Energy: 0.8863678304239626
Energy: 1.0892447001217724
Energy: 0.8692066808023533
Energy: 0.86360329774
Energy: 0.8692066808042765
Energy: 1.0304694573905264
Energy: 0.8705798885068052
Energy: 0.8698525970094663
Energy: 0.8705798885061642
Energy: 1.0484129114298442
Energy: 0.8715145036523096
Energy: 0.8835203424107535
Energy: 0.8715145036510275
Energy: 1.0108247237258996
Energy: 0.9809291787983603
Energy: 1.1847840933666793
Energy: 0.9809291787957959
Energy: 0.9685306779978798
Energy: 0.9366634217570026
Energy: 0.9635487694705761
Energy: 0.9366634217608493
Energy: 0.949570069613279
Energy: 0.9301729695321945
Energy: 0.9622123180546855
Energy: 0.9301729695360411
Energy: 0.9737847690515989
Energy: 0.9301550854045139
Energy: 0.8682113653837232
Energy: 0.9301550854045139
Energy: 0.8649684328725549
Energy: 0.9747574373533032
Energy: 0.9619930508049128
Energy: 0.97475743735138

minimum gb energy = 0.8618400298549089 eV
minimum distance =  2.57749407696722 Angstroms
sigma value = 29


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

Energy: 0.793129150702903
Energy: 0.9153702151139317
Energy: 0.8220003723482698
Energy: 0.9153702151152467
Energy: 0.81972669392489
Energy: 0.8217547497554587
Energy: 0.8915604207191071
Energy: 0.8217547497522083
Energy: 0.8303260999557426
Energy: 0.8224662229525629
Energy: 0.7997460087498715
Energy: 0.822466222952141
Energy: 0.8356285139374449
Energy: 0.8226345116286522
Energy: 0.8284862099875198
Energy: 0.8226345116295207
Energy: 0.8222553971027186
Energy: 0.829669286059971
Energy: 0.7993150584832142
Energy: 0.8296692856880575
Energy: 0.8276217596455326
Energy: 0.922642226903495
Energy: 0.7995357762427917
Energy: 0.9226422269032964
Energy: 0.8007874684699435
Energy: 0.8846163445567262
Energy: 0.8303834232652453
Energy: 0.8846163445562797
Energy: 0.8922753966017123
Energy: 0.8306438941485513
Energy: 0.8336629368101143
Energy: 0.830643894148328
Energy: 0.7999899097985848
Energy: 0.8322570435848069
Energy: 0.8241203976919328
Energy: 0.8322570435848069

minimum gb energy = 0.793129150702903 eV
minimum distance =  2.64961423811231 Angstroms
sigma value = 5


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

Energy: 1.1688246558965893
Energy: 0.8674564486454296
Energy: 0.9770352662781718
Energy: 0.8674564489474823
Energy: 0.9016746021897162
Energy: 0.832125940128657
Energy: 0.9858741711888552
Energy: 0.8321259401274459
Energy: 0.9836782166792662
Energy: 0.9104281784312428
Energy: 0.9774417500137849
Energy: 0.9104281784312428
Energy: 0.9098560935675858
Energy: 0.8304737581543129
Energy: 0.995032275959393
Energy: 0.8304737581549184
Energy: 0.9050709354897866
Energy: 0.8631278526512165
Energy: 0.9159563622758027
Energy: 0.8631278526082194
Energy: 0.867253061896551
Energy: 0.8766812693499655
Energy: 0.9171781809670095
Energy: 0.8766812693511767
Energy: 0.8305752499512987
Energy: 0.830274238623381
Energy: 0.9946002574908573
Energy: 0.8302742386221698
Energy: 0.8330957639036994
Energy: 0.8341812027649151
Energy: 1.0449132435892792
Energy: 0.834181202763704
Energy: 0.8854370599944656
Energy: 0.8792075922808718
Energy: 1.0559481486521163
Energy: 0.8792075922796608
Energy: 1.0319444894358945
Energy: 0.8200883120446191
Energy: 0.8190397627689976
Energy: 0.8200883120428297
Energy: 0.9425034251727145
Energy: 0.818658677055883
Energy: 0.8223541599591287
Energy: 0.8186586770552775
Energy: 1.0442218693384935
Energy: 0.8210664046857243
Energy: 0.8307820516309561
Energy: 0.8210664046905691
Energy: 1.0424838176510973
Energy: 0.8183565821334615
Energy: 0.8852752061727103
Energy: 0.8183565821346728
Energy: 0.8831167096084186
Energy: 0.809507488152343
Energy: 1.0400776453728222
Energy: 0.8095074881547653
Energy: 0.8832378402777868
Energy: 0.8086865099926542
Energy: 1.041739708524197
Energy: 0.8086865099956823
Energy: 0.8857441416176862
Energy: 0.8076341487257507
Energy: 0.8416996418534541
Energy: 0.8076341487275673
Energy: 0.8710650911290936
Energy: 0.8707390209830356
Energy: 0.8399242793881901
Energy: 0.8707390209824301
Energy: 1.0375434212529198
Energy: 0.8098769426065063
Energy: 0.8063259780477727
Energy: 0.8098769426052953
Energy: 1.0349263784478644
Energy: 0.8901093935796789
Energy: 0.8423058188962076
Energy: 0.890109393577862
Energy: 1.04207087700548
Energy: 0.9366564610516254
Energy: 0.9064774455670455
Energy: 0.93665646105647
Energy: 0.919325480101375
Energy: 0.8408317167022017
Energy: 0.9143699167445114
Energy: 0.8408317167034128
Energy: 0.9145268604781202
Energy: 0.8358527335685856
Energy: 0.8360021224820959
Energy: 0.8358527335401501
Energy: 0.9911493951213713
Energy: 0.8347992132028142
Energy: 0.837094020938318
Energy: 0.8347992132052365
Energy: 1.0458194507461784
Energy: 0.8372178442667986
Energy: 0.8366511414845591
Energy: 0.8372178442643762
Energy: 1.0552310483317642
Energy: 0.883980403201332
Energy: 0.8808846880959952
Energy: 0.8839804032043599
Energy: 0.8305870709597195
Energy: 0.8166953956038626
Energy: 1.0319010527280006
Energy: 0.8166953956050739
Energy: 0.8171139838679831
Energy: 0.8150311513265777
Energy: 0.8304626233796012
Energy: 0.815031151324761
Energy: 0.8248334262205755
Energy: 0.8156746843001424
Energy: 0.8899107148343379
Energy: 0.815674684300748
Energy: 0.827431045068399
Energy: 0.8752264781701635
Energy: 1.0420265681681473
Energy: 0.8752264781592628
Energy: 1.041251033348455
Energy: 0.8789591775850104
Energy: 0.90336406534469
Energy: 0.8789591775850104
Energy: 1.0403454054216636
Energy: 0.8313744810268864
Energy: 0.8329434950277308
Energy: 0.8313744810293088
Energy: 0.903273117421668
Energy: 0.8309647846952407
Energy: 0.8320320946742632
Energy: 0.8309647846958462
Energy: 0.8344656744415029
Energy: 0.829666858305884
Energy: 0.8297628694092923
Energy: 0.8296668582949835

minimum gb energy = 0.8063259780477727 eV
minimum distance =  2.58980190587664 Angstroms
sigma value = 1


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

Energy: 1.1678108974887491
Energy: 0.7984682922729571
Energy: 0.833001750582836
Energy: 0.7984682918427592
Energy: 0.8325734856107638
Energy: 0.7998571225752275
Energy: 0.8263860631477236
Energy: 0.7998571225769021
Energy: 0.8269696017505137
Energy: 0.9004417792075058
Energy: 0.9968498066254373
Energy: 0.9004417792049937
Energy: 0.8124556191209517
Energy: 0.9006404472651405
Energy: 0.7985716878100761
Energy: 0.9006404472651405
Energy: 0.8581380218546424
Energy: 0.7992330577309701
Energy: 0.9859451213357874
Energy: 0.7992330577318074
Energy: 0.8320859331495954
Energy: 0.8074419142424342
Energy: 0.8508147142030723
Energy: 0.8074419142407596
Energy: 0.7938226531718037
Energy: 0.7961175019200009
Energy: 0.806400889377553
Energy: 0.7961175019216755
Energy: 0.7996725398532311
Energy: 0.8008805146032116
Energy: 0.7743390895700618
Energy: 0.800880514604049
Energy: 0.8415294574977991
Energy: 0.8648052457213821
Energy: 0.7790361242985806
Energy: 0.8648052457213821
Energy: 0.989150146676078
Energy: 0.7981508459739004
Energy: 0.8328514996056179
Energy: 0.7981508459722257
Energy: 0.7983260583808977
Energy: 0.7960170886902858
Energy: 0.7942159841823296
Energy: 0.7960170886919603
Energy: 0.7754672833002988
Energy: 0.7983768947493181
Energy: 0.7985961782642635
Energy: 0.7983768947501553
Energy: 0.7711873112773054
Energy: 0.7969110054100257
Energy: 0.8072593803642111
Energy: 0.7969110054125378
Energy: 0.7985094727741565
Energy: 0.9019852588773988
Energy: 0.9959106471194764
Energy: 0.9019852588765805
Energy: 0.8130844339908498
Energy: 0.8992913646200723
Energy: 0.9928603425997619
Energy: 0.899291364619235
Energy: 0.8127782098319253
Energy: 0.7990250602513569
Energy: 0.8368732431317436
Energy: 0.7990250602530315
Energy: 0.8084305683256642
Energy: 0.7979677365310731
Energy: 0.9871934761739857
Energy: 0.7979677365293986
Energy: 0.80713905970153
Energy: 0.801587716652115
Energy: 0.8445867181166061
Energy: 0.8015877166512778
Energy: 0.7953537175988356
Energy: 0.7975947225757958
Energy: 0.777372720511627
Energy: 0.7975947225757958
Energy: 0.8000703347345635
Energy: 0.8240852589435641
Energy: 0.7733230749096481
Energy: 0.8240852589435641
Energy: 0.9863020663174863
Energy: 0.8661046793115066
Energy: 0.8240157533118534
Energy: 0.8661046793106691
Energy: 0.986807142564743
Energy: 0.7988548516503859
Energy: 0.7990896534077288
Energy: 0.7988548516503859
Energy: 0.7990070277603795
Energy: 0.7964519964245548
Energy: 0.797348590880407
Energy: 0.7964519964245548
Energy: 0.7709719883835295
Energy: 0.7967422290094297
Energy: 0.7957202378619334
Energy: 0.7967422290035683

minimum gb energy = 0.7709719883835295 eV
minimum distance =  2.60507582762151 Angstroms
sigma value = 17


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

Energy: 1.2407812167247503
Energy: 0.7903552349253886
Energy: 0.9533720702335169
Energy: 0.7903546937475049
Energy: 0.7910708602733817
Energy: 0.7907490694062654
Energy: 0.9209002081863158
Energy: 0.7907490694062654
Energy: 1.0355183577497626
Energy: 0.7881448079466972
Energy: 0.9172149120337179
Energy: 0.7881448079394517
Energy: 1.0266614584142508
Energy: 0.8476338450017692
Energy: 0.9448416380761834
Energy: 0.8476338450002165
Energy: 0.9175875736836684
Energy: 0.7768193446783892
Energy: 0.9323089402881038
Energy: 0.7768193446794243
Energy: 0.7773014468191712
Energy: 0.7879606627841869
Energy: 0.9099605765647728
Energy: 0.7879606627847044
Energy: 0.7779544791209153
Energy: 0.7761364796179276
Energy: 0.8747634411087339
Energy: 0.7761364796174102
Energy: 0.7855951454805138
Energy: 0.7785054391913526
Energy: 0.7784580773435489
Energy: 0.7785054391913526
Energy: 0.9301588118132056
Energy: 0.7794188347473481
Energy: 1.036738431517434
Energy: 0.7794188347478657
Energy: 0.907516541906114
Energy: 0.8477361552666023
Energy: 0.9311799576004102
Energy: 0.8477361552681548
Energy: 0.9336146072236171
Energy: 0.7871254412894823
Energy: 0.7979998520328141
Energy: 0.7871254412868945
Energy: 0.9078300604548841
Energy: 0.7934551569300412
Energy: 0.9408606299176493
Energy: 0.7934551569331465
Energy: 0.9382050874813584
Energy: 0.7885117957357752
Energy: 0.7885963141622385
Energy: 0.7885117957337051
Energy: 0.7919476559988587
Energy: 0.7884066681757385
Energy: 0.7914919660491312
Energy: 0.7884066681757385
Energy: 1.024702567219033
Energy: 0.790378988960546
Energy: 0.7935500715905018
Energy: 0.7903789889600285
Energy: 0.7813548080829502
Energy: 0.7891381246550129
Energy: 0.7980686481284036
Energy: 0.7891381246544954
Energy: 0.791469202890044
Energy: 0.7946147146234503
Energy: 1.1315888330028672
Energy: 0.7946147146224153
Energy: 0.7921028697638322
Energy: 0.7888594265093286
Energy: 0.929770091835589
Energy: 0.788859426508811
Energy: 0.8202955991281354
Energy: 0.7910848724756147
Energy: 0.9633486870082469
Energy: 0.7910848724750971
Energy: 0.8353691062423242
Energy: 0.9117273839053696
Energy: 1.239181093642958
Energy: 0.9117273838945014
Energy: 0.9171574834528136
Energy: 0.7896864484853381
Energy: 0.7911703201890655
Energy: 0.7896864484863731
Energy: 0.9188639250638454
Energy: 0.7892287396231003
Energy: 1.0313403393761154
Energy: 0.7892287396029634
Energy: 0.8665877860050132
Energy: 0.8446591041208775
Energy: 1.0290599927494686
Energy: 0.8446591041188075
Energy: 0.9112277879509998
Energy: 0.7771974883513204
Energy: 0.913842031720125
Energy: 0.7771974883502852
Energy: 0.9298364712342472
Energy: 0.7803931519153032
Energy: 0.7897791739635374
Energy: 0.7803931519153032
Energy: 0.878376900578457
Energy: 0.7772526379422419
Energy: 0.7808723393285147
Energy: 0.7772526379406892
Energy: 1.2428514452743649
Energy: 0.7795582868906578
Energy: 0.7781513168723893
Energy: 0.7795582868823773
Energy: 0.9640617584430328
Energy: 0.7781605009477389
Energy: 0.910977314527761
Energy: 0.7781605009472214
Energy: 0.9239048942751603
Energy: 0.8469271635705906
Energy: 0.9100861376195101
Energy: 0.8469271635705906
Energy: 0.7999389659258841
Energy: 0.7880033311218865
Energy: 0.9332342825760055
Energy: 0.788003331122404
Energy: 0.938649168129457
Energy: 0.8181887745144991
Energy: 0.908050391007817
Energy: 0.8181887745129466
Energy: 0.7879608688361526
Energy: 0.7889170472602427
Energy: 0.9319315116239356
Energy: 0.788917047257655
Energy: 0.7886502604192802
Energy: 0.7876509997456125
Energy: 0.790106142163016
Energy: 0.7876509997440597
Energy: 0.7978706050395679
Energy: 0.7908818847803132
Energy: 1.0212332307553291
Energy: 0.7908818847808307
Energy: 0.7893427906518088
Energy: 0.8320597471239026
Energy: 0.7767213929297615
Energy: 0.8320597471244202
Energy: 1.1314707728571796
Energy: 0.7933595802775968
Energy: 0.7919556976993796
Energy: 0.7933595802765617
Energy: 0.9133896965339171
Energy: 0.7883042524432512
Energy: 0.7891756942006212
Energy: 0.7883042524432512
Energy: 1.031844619111119
Energy: 0.7926215838871958
Energy: 0.8308268497079007
Energy: 0.7926215838897835

minimum gb energy = 0.7761364796174102 eV
minimum distance =  2.60093550078299 Angstroms
sigma value = 89


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

Energy: 1.307924050010476
Energy: 0.7318929675894119
Energy: 0.7294667979416972
Energy: 0.7318929675934743
Energy: 0.8062937689804199
Energy: 0.8230269539469737
Energy: 0.7561059086814906
Energy: 0.8230269539469737
Energy: 0.7213227440701274
Energy: 0.823409865655684
Energy: 0.7570524245304037
Energy: 0.823409865655684
Energy: 0.7214651318877697
Energy: 0.824180951664894
Energy: 0.7549808634614924
Energy: 0.824180951664894
Energy: 0.7288783667859233
Energy: 0.7302366570487604
Energy: 0.74672253412904
Energy: 0.7302366570501145
Energy: 0.7293479198166937
Energy: 0.7301369719500067
Energy: 0.7957470762562469
Energy: 0.7301369719500067
Energy: 0.7287690865844483
Energy: 0.7286419719478403
Energy: 0.8048412763158085
Energy: 0.7286419719478403
Energy: 0.7311331756023768
Energy: 0.7336896434270832
Energy: 0.7204703427915132
Energy: 0.7336896434203125
Energy: 0.7558915822947823
Energy: 0.7323905195682217
Energy: 0.7211689376812853
Energy: 0.7323905195668675
Energy: 0.7595153971759033
Energy: 0.8239679441198532
Energy: 0.8054334556793503
Energy: 0.823967944118499
Energy: 0.8052820389639413
Energy: 0.8237448180553179
Energy: 0.7199251426590029
Energy: 0.8237448180553179
Energy: 0.7959986485148463
Energy: 0.7307484101193306
Energy: 0.7565264433959363
Energy: 0.7307484101179763
Energy: 0.7466057630927375
Energy: 0.7316242811556166
Energy: 0.7311969397590814
Energy: 0.7316242811556166
Energy: 0.8031817211046366
Energy: 0.7279155342413777
Energy: 0.7271940019332298
Energy: 0.7279155342413777
Energy: 0.7260909003713427
Energy: 0.7310880373993607
Energy: 0.7310422160262234
Energy: 0.7310880373912358

minimum gb energy = 0.7199251426590029 eV
minimum distance =  2.62694282565459 Angstroms
sigma value = 13


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

Energy: 1.1780465430617943
Energy: 0.7020609904379291
Energy: 0.8940318435012018
Energy: 0.7020609906194748
Energy: 0.833125410146086
Energy: 0.7001077554975057
Energy: 0.8321765590099487
Energy: 0.700107755495803
Energy: 0.7217745465558408
Energy: 0.6988691759385945
Energy: 0.8289920915440274
Energy: 0.6988691759385945
Energy: 0.9371880916372135
Energy: 0.7017199185805313
Energy: 0.839045541714316
Energy: 0.7017199214250732
Energy: 0.8126432130089266
Energy: 0.6996408583790462
Energy: 0.8430597647185707
Energy: 0.699640858380749
Energy: 0.8305460815651605
Energy: 0.6997224247921457
Energy: 0.8419519809793987
Energy: 0.699722424794416
Energy: 0.8261697648227284
Energy: 0.698961525674945
Energy: 0.8342271542056962
Energy: 0.6989615256743774
Energy: 0.8337152998699855
Energy: 0.7009993122222716
Energy: 0.811571123465834
Energy: 0.7009993122744625
Energy: 0.7055840988646361
Energy: 0.7016808969537689
Energy: 0.8060934045727691
Energy: 0.7016808969622824
Energy: 0.7012380384342107
Energy: 0.6989318758797236
Energy: 0.8129330529883961
Energy: 0.6989318758791561
Energy: 0.6993914187876149
Energy: 0.7055609322644408
Energy: 1.1802724424286184
Energy: 0.7055609322627381
Energy: 0.8520067411937531
Energy: 0.6980619166993846
Energy: 0.8126757366301806
Energy: 0.6980619166993846
Energy: 0.8456108904642059
Energy: 0.7549293303603721
Energy: 0.850808813306522
Energy: 0.7549293303626424
Energy: 0.8412267687249629
Energy: 0.7575111170834309
Energy: 0.9412937984158604
Energy: 0.7575111170879715
Energy: 0.8342653828597731
Energy: 0.7005389024810958
Energy: 0.8131308243738057
Energy: 0.7005389024833661
Energy: 0.8334620348576947
Energy: 0.7001266980715204
Energy: 0.7035347683285276
Energy: 0.7001266980692501
Energy: 0.8349031157942561
Energy: 0.6994427693034997
Energy: 0.6993988175288527
Energy: 0.6994427693086077
Energy: 1.1774945726260784
Energy: 0.7009745280422788
Energy: 0.6994127281612745
Energy: 0.7009745278828685
Energy: 0.915488659221437
Energy: 0.7014951280136038
Energy: 0.8506297594182723
Energy: 0.7014951280136038
Energy: 0.813176246358353
Energy: 0.6984823402885967
Energy: 0.821936950246513
Energy: 0.6984823402937047
Energy: 0.9350403046223263
Energy: 0.7047186032319116
Energy: 0.857298486565289
Energy: 0.7047186032330468
Energy: 0.8125133198152152
Energy: 0.7635102954920875
Energy: 0.8418822139256801
Energy: 0.7635102954949254
Energy: 0.8385374560731687
Energy: 0.7007535069289906
Energy: 0.8439321791074181
Energy: 0.7007535069272878
Energy: 0.7021848727603325
Energy: 0.6983411625358744
Energy: 0.8381742425331239
Energy: 0.6983411625341717
Energy: 0.8091856321133641
Energy: 0.6994003103453018
Energy: 0.8664460712122919
Energy: 0.6994003103396261
Energy: 0.6983783275334705
Energy: 0.7164443637125062
Energy: 0.833146087062906
Energy: 0.7164443637130737
Energy: 0.6987557581279892
Energy: 0.6978792358643325
Energy: 0.8141743586914587
Energy: 0.697879235860927
Energy: 0.6995121026069855
Energy: 0.7032274435935305
Energy: 0.6990850265660087
Energy: 0.7032274435901252
Energy: 0.8091411589517253
Energy: 0.6997449195969035
Energy: 0.9198838197219681
Energy: 0.6997449195946333
Energy: 0.81938762159148
Energy: 0.7580257903303356
Energy: 0.8327952407372075
Energy: 0.7580257903292004
Energy: 0.8410305325331231
Energy: 0.7610983055219573
Energy: 0.9375071447093166
Energy: 0.7610983055208222
Energy: 0.833182482143057
Energy: 0.7004257933992586
Energy: 0.831758465636778
Energy: 0.7004257934015289
Energy: 0.8344422753114178
Energy: 0.7012837589635554
Energy: 0.7000934205000416
Energy: 0.7012837589675283
Energy: 0.9798015518105097
Energy: 0.6979703953864748
Energy: 0.6991834922060964
Energy: 0.6979703953842045
Energy: 0.9097456710049696
Energy: 0.7001139485639505
Energy: 0.7032455144592813
Energy: 0.7001139485650857

minimum gb energy = 0.697879235860927 eV
minimum distance =  2.61863186726102 Angstroms
sigma value = 37


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

Energy: 1.0461647949562334
Energy: 0.6488451163153548
Energy: 0.6505253821373533
Energy: 0.6488451162099385
Energy: 0.8493880781473487
Energy: 0.6481977731564539
Energy: 0.8594662303162057
Energy: 0.6481977731564539
Energy: 1.0495841959141265
Energy: 0.7446163939493771
Energy: 0.8566696847375973
Energy: 0.7446163939493771
Energy: 1.0509292544650977
Energy: 0.6479984896574382
Energy: 0.6618470134797994
Energy: 0.6479984896574382
Energy: 0.8408349880052526
Energy: 0.7452464835983096
Energy: 0.8473243586489501
Energy: 0.7452464835983096
Energy: 0.848913956969722
Energy: 0.6477165794893138
Energy: 1.038278064996795
Energy: 0.6477165794902903
Energy: 0.6419331327633262
Energy: 0.6464859842394414
Energy: 1.038676443159543
Energy: 0.6464859842384648
Energy: 0.6857499597811703
Energy: 0.6467418778712711
Energy: 0.8519918274148566
Energy: 0.6467418778712711
Energy: 0.647049005007603
Energy: 0.6466635489508221
Energy: 0.8401392780017676
Energy: 0.6466635489517987
Energy: 0.6473580002064819
Energy: 0.6478381284254271
Energy: 0.7648783391370297
Energy: 0.6478381284264035
Energy: 0.6505253864495459
Energy: 0.6488451169146521
Energy: 1.0461647949572097
Energy: 0.6488451170385994
Energy: 0.8594662303152292
Energy: 0.6481977731554774
Energy: 0.7673653337407131
Energy: 0.6481977731564539
Energy: 0.8566696847366208
Energy: 0.7446163939493771
Energy: 1.0495841959141265
Energy: 0.7446163939493771
Energy: 0.6618470120869727
Energy: 0.6479984896574382
Energy: 1.0509292544650977
Energy: 0.6479984896574382
Energy: 0.8473243586489501
Energy: 0.7452464835983096
Energy: 0.8408349880062291
Energy: 0.7452464835983096
Energy: 0.9833397388213017
Energy: 0.6477165794902903
Energy: 0.8489139569687455
Energy: 0.6477165794893138
Energy: 1.0386764431566136
Energy: 0.6464859842384648
Energy: 0.6419331327633262
Energy: 0.6464859842384648
Energy: 0.8519918300872819
Energy: 0.6467418778712711
Energy: 0.6857499597821467
Energy: 0.6467418778712711
Energy: 0.8401392779939556
Energy: 0.6466635489517987
Energy: 0.6470490050066264
Energy: 0.6466635489517987
Energy: 0.8496150862366872
Energy: 0.6478381284254271
Energy: 0.6473580002074585
Energy: 0.6478381284264035

minimum gb energy = 0.6419331327633262 eV
minimum distance =  2.62852893305781 Angstroms
sigma value = 25


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

Energy: 1.216648556369897
Energy: 0.5829908409293884
Energy: 0.584535907430344
Energy: 0.5829908409674791
Energy: 1.0171511470212637
Energy: 0.582975887543899
Energy: 0.7516199634679035
Energy: 0.5829758875446613
Energy: 1.135947979029557
Energy: 0.5821295372204344
Energy: 0.7461882192623923
Energy: 0.5821295372204344
Energy: 0.8910724691901719
Energy: 0.5875438948679697
Energy: 0.7400729828551652
Energy: 0.5875438948656821
Energy: 0.9067850038496247
Energy: 0.6620002596221928
Energy: 1.0271104619747973
Energy: 0.6620002596214303
Energy: 0.9122466712314592
Energy: 0.6603120918699646
Energy: 1.0198647593864352
Energy: 0.6603120918699646
Energy: 0.9053840818355052
Energy: 0.6616412902758865
Energy: 0.9071573432395567
Energy: 0.6616412902758865
Energy: 0.7407052010615109
Energy: 0.5876611553755052
Energy: 1.02139258819278
Energy: 0.5876611553755052
Energy: 0.7492217763931219
Energy: 0.5818873555357532
Energy: 1.0167347349538853
Energy: 0.5818873555349907
Energy: 0.7429379400194166
Energy: 0.582984147491297
Energy: 0.9105402755693849
Energy: 0.582984147491297
Energy: 0.5829997266178967
Energy: 0.5830823193383704
Energy: 1.0504940048462386
Energy: 0.5830823193391328
Energy: 0.5870128925531276
Energy: 0.5827841547022887
Energy: 0.9087172893098026
Energy: 0.5827841547022887
Energy: 0.583115144292778
Energy: 0.5851911743491393
Energy: 0.8920454531465104
Energy: 0.5851911743499018
Energy: 0.6217824661629153
Energy: 0.5824294570114255
Energy: 1.1308233256489493
Energy: 0.5824294570114255
Energy: 0.7442473849045985
Energy: 0.5816703222125702
Energy: 1.01823688113935
Energy: 0.5816703222125702
Energy: 0.7524103524482221
Energy: 0.583677338875683
Energy: 1.1312529350718938
Energy: 0.583677338875683
Energy: 0.9068759209224295
Energy: 0.5845006294283434
Energy: 1.1329663786357593
Energy: 0.5845006294283434
Energy: 0.7359533192930438
Energy: 0.6611663163500037
Energy: 0.9067158247818736
Energy: 0.6611663163500037
Energy: 1.0154533580274254
Energy: 0.6610328329837419
Energy: 0.9058859795164456
Energy: 0.6610328329837419
Energy: 0.9081361147579894
Energy: 0.6608447274419588
Energy: 0.9111951987916951
Energy: 0.6608447274411964
Energy: 1.0543203692529126
Energy: 0.5817876000686389
Energy: 0.7431748574025411
Energy: 0.5817876000686389
Energy: 1.0179908398795539
Energy: 0.5811254883972679
Energy: 0.5817220452288092
Energy: 0.5811254883980305
Energy: 1.0110938213976963
Energy: 0.585254029516364
Energy: 0.7454099767564342
Energy: 0.585254029516364
Energy: 1.02661422511394
Energy: 0.5821938996138744
Energy: 0.5822338347663921
Energy: 0.5821938996131116
Energy: 0.9071816629694273
Energy: 0.5817366044506421
Energy: 0.5828071223442027
Energy: 0.5817366044498797
Energy: 1.1267826743389688
Energy: 0.5837488575564942
Energy: 0.5826748592088729
Energy: 0.5837488575572567

minimum gb energy = 0.5811254883972679 eV
minimum distance =  2.62164350418056 Angstroms
sigma value = 41


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

Energy: 1.317716342462336
Energy: 0.534264483461515
Energy: 0.5370744865525167
Energy: 0.5342644891095852
Energy: 1.1065100236582128
Energy: 0.5331157190941266
Energy: 0.6686416416237221
Energy: 0.5331157190947515
Energy: 1.1998725603648763
Energy: 0.5332895505751664
Energy: 0.6647061056772647
Energy: 0.5332895505764168
Energy: 1.0098171123683786
Energy: 0.5381378434606551
Energy: 0.8082102274173837
Energy: 0.5381378434618769
Energy: 1.0202793790309153
Energy: 0.5315162208253635
Energy: 0.905154535119142
Energy: 0.5315162208259885
Energy: 1.0109869758320844
Energy: 0.5337002134829927
Energy: 0.90114254732842
Energy: 0.5337002134823675
Energy: 1.0169963852947235
Energy: 0.6009371712966833
Energy: 1.0212783617614547
Energy: 0.6009371712966833
Energy: 0.9047385439449654
Energy: 0.6007969310267824
Energy: 0.9143888906169333
Energy: 0.6007969310261573
Energy: 0.7905985576021192
Energy: 0.7191119502098381
Energy: 1.1071806968132953
Energy: 0.7191119502092129
Energy: 0.8048472366004408
Energy: 0.531383420555268
Energy: 1.0229862258143019
Energy: 0.5313834205546429
Energy: 0.6662868969423222
Energy: 0.541094486310101
Energy: 1.1820543241809125
Energy: 0.5410944863126017
Energy: 0.6602601957213385
Energy: 0.5321326127628248
Energy: 1.1060053035037647
Energy: 0.5321326127628248
Energy: 0.6693836353359587
Energy: 0.5347682211612188
Energy: 1.102829206789034
Energy: 0.5347682211605936
Energy: 0.5334711169418219
Energy: 0.5392333349303838
Energy: 1.1012534827086022
Energy: 0.5392333349310089
Energy: 0.5353324847930856
Energy: 0.5335491986040978
Energy: 1.0210388665282528
Energy: 0.5335491986034726
Energy: 0.5390348938296814
Energy: 0.5354262639699555
Energy: 1.188795001257713
Energy: 0.5354262639687053
Energy: 0.6624337724053535
Energy: 0.5367785402111304
Energy: 1.1885328417257315
Energy: 0.5367785402105052
Energy: 0.6595782187958826
Energy: 0.6586435168233721
Energy: 1.0202181643075992
Energy: 0.6586435168239971
Energy: 0.6672310431718278
Energy: 0.5356344138980421
Energy: 1.0120820045982184
Energy: 0.5356344138980421
Energy: 0.9043747301630772
Energy: 0.5340015851544225
Energy: 1.0093928402373504
Energy: 0.5340015851556729
Energy: 0.9171712646157704
Energy: 0.59688601932473
Energy: 1.105024552875471
Energy: 0.5968860193009748
Energy: 0.9041048242937669
Energy: 0.5342626265169473
Energy: 1.0132992107063015
Energy: 0.5342626265156971
Energy: 1.1086958239806066
Energy: 0.597765225771267
Energy: 1.0103717997126127
Energy: 0.5977652257718921
Energy: 0.90256892265585
Energy: 0.5339710276618117
Energy: 0.9046309711846592
Energy: 0.5339710276630619
Energy: 1.106639985064479
Energy: 0.5341484416475085
Energy: 0.7844887005003308
Energy: 0.5341484416462582
Energy: 1.102480215970057
Energy: 0.5336043971090935
Energy: 0.903120034043915
Energy: 0.5336043971065931
Energy: 1.1005326952690555
Energy: 0.5360014489154684
Energy: 0.6674742995687994
Energy: 0.5360014489160935
Energy: 1.0202002767208989
Energy: 0.5316948340622772
Energy: 0.6577655156541566
Energy: 0.5316948340585264
Energy: 1.0979273634661326
Energy: 0.5372199783865997
Energy: 0.6668420771820227
Energy: 0.5372199783865997
Energy: 1.1053958942387658
Energy: 0.5376779913683298
Energy: 0.5419693399691806
Energy: 0.5376779913695802
Energy: 1.0204272322273003
Energy: 0.5327094105359066
Energy: 0.5346260410091712
Energy: 0.5327094105352815
Energy: 1.1903382736634276
Energy: 0.5387667296754697
Energy: 0.5337415441843295
Energy: 0.5387667296742195

minimum gb energy = 0.5313834205546429 eV
minimum distance =  2.62269037485695 Angstroms
sigma value = 15


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

Energy: 1.1491514924701636
Energy: 0.49884938431557324
Energy: 0.4967960014460094
Energy: 0.4988493899789915
Energy: 1.1618557465506576
Energy: 0.49528793002684834
Energy: 0.6060144755644433
Energy: 0.4952879300718141
Energy: 1.2452173967040019
Energy: 0.4948087017858299
Energy: 0.609250065957504
Energy: 0.4948087017863594
Energy: 1.08028129131705
Energy: 0.4986072905029218
Energy: 0.8235457707097494
Energy: 0.4986072905029218
Energy: 1.0884316218082728
Energy: 0.4928241622211963
Energy: 0.8096324436817713
Energy: 0.4928241622222555
Energy: 1.0865070304095996
Energy: 0.4932293230851162
Energy: 0.8112257481313954
Energy: 0.49322932304698686
Energy: 0.9204991940900196
Energy: 0.4942943317123594
Energy: 1.000358441394282
Energy: 0.4942943317123594
Energy: 1.0064563876380028
Energy: 0.5537608206575325
Energy: 0.814941791405284
Energy: 0.5537608206591212
Energy: 0.9097474023559565
Energy: 0.5490455189962484
Energy: 0.9973849045983666
Energy: 0.5490455189973076
Energy: 0.9092011872575003
Energy: 0.5492591740615386
Energy: 1.1635063856968877
Energy: 0.549259174063657
Energy: 0.8179449804736526
Energy: 0.497405323485883
Energy: 1.0381754143855961
Energy: 0.497405323485883
Energy: 0.707737824051242
Energy: 0.49233718769134094
Energy: 1.1618218587642979
Energy: 0.49233718767545365
Energy: 0.8128910127444466
Energy: 0.49437612038077144
Energy: 1.16319631978849
Energy: 0.49437612038024187
Energy: 0.6083326808720017
Energy: 0.4986779776824667
Energy: 1.0098568490373987
Energy: 0.49867797768352573
Energy: 0.6009031262094379
Energy: 0.4932941496434296
Energy: 1.1609997229409823
Energy: 0.4932941496423704
Energy: 0.6083818551968855
Energy: 0.49728186530244867
Energy: 1.1635392197240149
Energy: 0.4972818653035077
Energy: 0.49427114825603935
Energy: 0.4951602748068297
Energy: 1.155529723327814
Energy: 0.4951602748063001
Energy: 0.49305906686929896
Energy: 0.4934799967522097
Energy: 1.0875505379866952
Energy: 0.49347999675326887
Energy: 0.494239898351329
Energy: 0.4969443932503206
Energy: 1.0868023582423718
Energy: 0.49694439325137973
Energy: 0.6115051472958384
Energy: 0.4956975458094286
Energy: 1.2458275428248904
Energy: 0.4956975458099582
Energy: 0.5981063072899531
Energy: 0.49335772852301857
Energy: 1.1586633240158921
Energy: 0.49335772852142984
Energy: 0.6067207151051031
Energy: 0.49787020800335635
Energy: 1.0791673159402255
Energy: 0.49787020800229714
Energy: 0.8127479295791065
Energy: 0.4947376527897932
Energy: 1.0818629751336668
Energy: 0.49473765278926357
Energy: 0.8179202908757809
Energy: 0.492741204311611
Energy: 1.1628732263538375
Energy: 0.49274120423963697
Energy: 0.8206505148795242
Energy: 0.4970636644885092
Energy: 0.9250174234516544
Energy: 0.4970636644869204
Energy: 0.9997256630541255
Energy: 0.5487600011851902
Energy: 1.092474235353649
Energy: 0.5487600011846606
Energy: 0.8158489755872963
Energy: 0.549431925637934
Energy: 0.9986311355749007
Energy: 0.5494319256368749
Energy: 1.0063335813555743
Energy: 0.5533610081833895
Energy: 0.9272314291491521
Energy: 0.5533610081823305
Energy: 0.9993786721025242
Energy: 0.4938574316549029
Energy: 1.0004989363644219
Energy: 0.4938574316580803
Energy: 0.997165908608187
Energy: 0.49323307121137067
Energy: 0.8111855531346972
Energy: 0.493233071209782
Energy: 1.087547434082755
Energy: 0.4932295970443638
Energy: 0.7081452895212286
Energy: 0.49322959701417807
Energy: 1.0081553483312564
Energy: 0.49796875222984804
Energy: 0.8215448927513255
Energy: 0.49796875223196624
Energy: 1.1639908164687012
Energy: 0.4951786821352222
Energy: 0.6068864976270006
Energy: 0.49517868213416305
Energy: 1.159907371763383
Energy: 0.49507880089438155
Energy: 0.6128064277880558
Energy: 0.495078800894911
Energy: 1.158016241574454
Energy: 0.5016626935721163
Energy: 0.5140374377502059
Energy: 0.5016626935710573
Energy: 1.160405140153209
Energy: 0.494764352156331
Energy: 0.49770262847566604
Energy: 0.49476435215580145
Energy: 1.2372116605332526
Energy: 0.4949476762915356
Energy: 0.49965189553283695
Energy: 0.4949476762915356

minimum gb energy = 0.49233718767545365 eV
minimum distance =  2.62941936378954 Angstroms
sigma value = 85


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

Energy: 1.2169776295969128
Energy: 0.4508715856397015
Energy: 0.4511545009011234
Energy: 0.45087158562686197
Energy: 1.1977849959369948
Energy: 0.45251041767875927
Energy: 0.5429203293852837
Energy: 0.4525104176796779
Energy: 1.1245424269004782
Energy: 0.4521671776766645
Energy: 0.5429838363623241
Energy: 0.45216717767712383
Energy: 0.9717829827777228
Energy: 0.45095284381739076
Energy: 0.7336332271914153
Energy: 0.45095284381830936
Energy: 1.1336889226505726
Energy: 0.45050481753262844
Energy: 0.7322593513884817
Energy: 0.4505048175739447
Energy: 0.9747162901747282
Energy: 0.4513300200373751
Energy: 0.7328145160244625
Energy: 0.4513300200373751
Energy: 0.9738471688756056
Energy: 0.45171413614839556
Energy: 0.899334157363033
Energy: 0.45171413614655836
Energy: 1.053755697873871
Energy: 0.45158475689828453
Energy: 0.7301105269248032
Energy: 0.45158475689736594
Energy: 0.9756470778805009
Energy: 0.45124180866812075
Energy: 0.8991659965611698
Energy: 0.4512418086694987
Energy: 0.975965577152847
Energy: 0.5428244020751393
Energy: 1.0522923125998653
Energy: 0.5428244020737615
Energy: 0.900513705591273
Energy: 0.45088822268782575
Energy: 0.9227556457809792
Energy: 0.4508882226859885
Energy: 0.8191652090179191
Energy: 0.4514175535664052
Energy: 1.0524611956370924
Energy: 0.45141755356548663
Energy: 0.8986445585706215
Energy: 0.4508843745124392
Energy: 1.0504538730381752
Energy: 0.45088437452300306
Energy: 0.7336614215946929
Energy: 0.45301209279093374
Energy: 0.8941491336531224
Energy: 0.453012092791393
Energy: 0.6347247426568972
Energy: 0.45061463515334477
Energy: 1.19566951079529
Energy: 0.4506146351547226
Energy: 0.7336121292639667
Energy: 0.4531301787774898
Energy: 1.0511671408601062
Energy: 0.4531301787774898
Energy: 0.5503142384647175
Energy: 0.45088705700664916
Energy: 1.047930204277881
Energy: 0.4508870570057306
Energy: 0.5425864653126056
Energy: 0.45069579362015727
Energy: 1.1337608301932747
Energy: 0.45069579362015727
Energy: 0.5480933154751999
Energy: 0.4510198164774561
Energy: 1.1880202240451545
Energy: 0.45101981647791545
Energy: 0.45104260597609164
Energy: 0.45090125632737516
Energy: 1.1876989559256215
Energy: 0.45090125632783445
Energy: 0.4516706983815303
Energy: 0.4510019323401202
Energy: 1.1977367297824577
Energy: 0.4510019323401202
Energy: 0.4509938939958102
Energy: 0.4510583147789857
Energy: 1.120301781848849
Energy: 0.45105831477990427
Energy: 0.5501574531585559
Energy: 0.4513786088996819
Energy: 1.2545316846270966
Energy: 0.4513786088996819
Energy: 0.5461930604635428
Energy: 0.4507619550129864
Energy: 1.1974706978647562
Energy: 0.45076195501344574
Energy: 0.5490986796401257
Energy: 0.45091575635362924
Energy: 0.971615460949365
Energy: 0.45091575635316994
Energy: 0.732237541098078
Energy: 0.4512984652349434
Energy: 1.2609465473298664
Energy: 0.45129846523540273
Energy: 0.7316357196838036
Energy: 0.45061071014113946
Energy: 1.1261229977660003
Energy: 0.45061071014022086
Energy: 0.843360699972077
Energy: 0.4539313825070115
Energy: 0.9741922465157861
Energy: 0.4539313825070115
Energy: 0.8987648352681902
Energy: 0.4506223574881047
Energy: 1.1336738597755895
Energy: 0.4506223574871861
Energy: 0.8989890318706774
Energy: 0.45158024855516604
Energy: 0.9757915212745608
Energy: 0.45158024864376944
Energy: 1.0555725395474942
Energy: 0.5432189369207255
Energy: 0.8245492320742949
Energy: 0.543218936919807
Energy: 0.8976333794647512
Energy: 0.5424433533324807
Energy: 0.9906437817011919
Energy: 0.5424433533324807
Energy: 1.0541191750579093
Energy: 0.45110400623950725
Energy: 0.8177192826157285
Energy: 0.45110400623996655
Energy: 1.1347296144531729
Energy: 0.45054357170056897
Energy: 0.8260228949535604
Energy: 0.45054357170286546
Energy: 0.9202276127698668
Energy: 0.45116223997687094
Energy: 0.7338107249558697
Energy: 0.45116223997687094
Energy: 1.1995245082492134
Energy: 0.4506588595697137
Energy: 0.7317758367682092
Energy: 0.4506588595697137
Energy: 1.190730070166688
Energy: 0.4512983274139216
Energy: 0.7332569801155555
Energy: 0.4512983274139216
Energy: 1.0473881792163175
Energy: 0.45076051786251803
Energy: 0.5506401758873612
Energy: 0.45076051786205873
Energy: 1.1973570148905988
Energy: 0.45065213691710215
Energy: 0.5444080354251896
Energy: 0.45065213691710215
Energy: 1.1882839374469711
Energy: 0.4513012897128016
Energy: 0.5504845778927302
Energy: 0.4513012897128016
Energy: 1.0451245434375152
Energy: 0.45118565293381585
Energy: 0.4511077359048798
Energy: 0.4511856529347345
Energy: 1.133947340627314
Energy: 0.45091235775067434
Energy: 0.45125070670386014
Energy: 0.45091235775067434
Energy: 1.1193669889448694
Energy: 0.45132330506590884
Energy: 0.45104823767986874
Energy: 0.45132330506590884

minimum gb energy = 0.45050481753262844 eV
minimum distance =  2.62284692216768 Angstroms
sigma value = 113


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

Energy: 0.011679926127274585
Energy: 0.41327720501900717
Energy: 0.9718702690578576
Energy: 0.4132772050196937
Energy: 0.6723160061747449
Energy: 0.1243296477596286
Energy: 0.6792151994966693
Energy: 0.12432964775998166
Energy: 0.01277157223170009
Energy: 0.1236372115407218
Energy: 0.6774272288782618
Energy: 0.12363721154142798
Energy: 0.01345248124726883
Energy: 0.12342536832445666
Energy: 0.670933475876956
Energy: 0.12342536832514323
Energy: 0.6768703615135758
Energy: 0.12402145581921371
Energy: 0.6733616041991302
Energy: 0.12402145581921371
Energy: 0.012143289034044444
Energy: 0.12337926018300938
Energy: 0.6770846919928649
Energy: 0.12337926018232281

minimum gb energy = 0.011679926127274585 eV
minimum distance =  2.82915966181128 Angstroms
sigma value = 1