Model name: model_name=MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.867570169270039
cohesive_energy=4.280336240308329
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.9007742932785797e-19, 2.7152888504715e-19, 3.34044215129196e-19, 3.85060723509024e-19, 4.2799905730022395e-19, 4.64801054583204e-19, 4.9670680007268e-19, 5.245718560912079e-19, 5.490162649961459e-19, 5.7051106671789e-19, 5.8941835317572395e-19, 6.06034527046938e-19, 6.20598312649998e-19, 6.33305175534252e-19, 6.443217420696359e-19, 6.5379220815321e-19, 6.61836737032524e-19, 6.68561072365422e-19, 6.7405974257331e-19, 6.7841445866452195e-19, 6.816973185875879e-19, 6.83972409407868e-19, 6.853006138374539e-19, 6.85731599352e-19, 6.852685703047741e-19, 6.837705351519839e-19, 6.810580501106219e-19, 6.769100148051959e-19, 6.71068478797632e-19, 6.63224221997568e-19, 6.53000732896014e-19, 6.399477998588159e-19, 6.23512671947244e-19, 6.0301923062174995e-19, 5.776375483859219e-19, 5.463294147809279e-19, 5.078002710864959e-19, 4.6040948842941e-19, 4.0206302194903194e-19, 3.30061204017072e-19, 2.4086963297892597e-19, 1.298152402462062e-19, -9.389091532333138e-21, -1.85367030023898e-19, -4.10432792685048e-19, -7.03196926839234e-19, -1.09301291059797e-18, -1.62864459199368e-18, -2.39579880788556e-18, -3.55660782275124e-18, -5.4488425145706e-18, -8.8533076441572e-18, -1.5798262699557e-17, -3.2261428702224e-17]
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: 0.013118462608112
Energy: 0.013678936138447962
Energy: 1.6111663205559847
Energy: 0.9215693245211011
Energy: 0.013678936138447962
Energy: 0.21871772807539722
Energy: 0.9202514851698952
Energy: 0.21871772807539722
Energy: 1.6111663242667482
Energy: 0.920251485128971
Energy: 0.9303451197240008
Energy: 0.9202514851367793
Energy: 0.9215693245162278
Energy: 0.21871772807539722
Energy: 0.9202514851552754
Energy: 0.21871772807539722

minimum gb energy = 0.013118462608112 eV
minimum distance =  2.44102506636223 Angstroms
sigma value = 1


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

Energy: 1.65576474573192
Energy: 1.4114422878984136
Energy: 1.488738431916333
Energy: 1.181503899925939
Energy: 1.6781757881303945
Energy: 0.8212451798024808
Energy: 0.8209493424423204
Energy: 0.8212451798036897
Energy: 1.6840298438746637
Energy: 0.801656693105145
Energy: 0.8024343399759906
Energy: 0.801656693105145
Energy: 1.6843300879600396
Energy: 0.8024971550226917
Energy: 0.8032063877416622
Energy: 0.8024971550239005
Energy: 1.5407765996573919
Energy: 0.802055453585666
Energy: 1.254646207883232
Energy: 0.8020554535892926
Energy: 1.6844361732861934
Energy: 0.8017930698615462
Energy: 1.1135094727818444
Energy: 0.8017930698615462
Energy: 1.682008318164404
Energy: 0.801377925692109
Energy: 1.0973418143714826
Energy: 0.8013779256933179
Energy: 1.4196216917624194
Energy: 0.8012031517675928
Energy: 1.1069239585834276
Energy: 0.8012031517688015
Energy: 1.3150242286177625
Energy: 0.8704413999721333
Energy: 1.3880080944678184
Energy: 0.8704413999697155
Energy: 1.4324216663727314
Energy: 0.8696615153928381
Energy: 1.4236975670034138
Energy: 0.8696615153928381
Energy: 1.4012943322310576
Energy: 0.8707348106121028
Energy: 1.430275555281462
Energy: 0.8707348106108938
Energy: 1.1074373640389334
Energy: 0.8011592618831398
Energy: 1.423086786077055
Energy: 0.8011592618843487
Energy: 1.0964333936919997
Energy: 0.8015723190955905
Energy: 1.4195274886705596
Energy: 0.8015723190943815
Energy: 1.0937242480750153
Energy: 0.801905632917184
Energy: 1.6846783926284488
Energy: 0.8019056329159752
Energy: 1.1059660958471151
Energy: 0.8017430595453188
Energy: 1.6578297794239083
Energy: 0.8017430595441098
Energy: 0.8017244849356828
Energy: 0.8016678963761563
Energy: 1.6806059395323087
Energy: 0.8016678963761563
Energy: 0.8016529109029435
Energy: 0.8017579774844769
Energy: 1.678416376289647
Energy: 0.8017579774856858
Energy: 0.8226588566877088
Energy: 0.8016072739781287
Energy: 1.6799230883138085
Energy: 0.8016072739781287
Energy: 0.801795268399802
Energy: 0.820658614089681
Energy: 1.782935427162551
Energy: 0.8206586140908899
Energy: 0.9174148435193191
Energy: 0.8206777837056759
Energy: 1.682781404006392
Energy: 0.8206777837056759
Energy: 0.8958788490547877
Energy: 0.8014669558035294
Energy: 1.6801001748276818
Energy: 0.8014669558035294
Energy: 0.9094443079294247
Energy: 0.8011217896896634
Energy: 1.5945259262703835
Energy: 0.8011217896896634
Energy: 0.909496319034422
Energy: 0.8013733017483378
Energy: 1.5421540214553364
Energy: 0.801373301747129
Energy: 1.2702128501732985
Energy: 0.8011636251932286
Energy: 1.594299197286994
Energy: 0.8011636251920198
Energy: 1.2857385745851124
Energy: 0.8012662448302699
Energy: 1.587029012858733
Energy: 0.8012662448314787
Energy: 1.2731875395379166
Energy: 0.801569596939709
Energy: 1.2698728650815658
Energy: 0.8015695969288289
Energy: 1.2700599531385843
Energy: 0.8013093134017029
Energy: 1.3161465571775717
Energy: 0.8013093134029119
Energy: 1.5938462146566286
Energy: 0.8011469218410026
Energy: 1.2747669681359548
Energy: 0.8011469218397937
Energy: 1.4949438368457475
Energy: 0.801316872012081
Energy: 1.2745937446564266
Energy: 0.8013168720108723
Energy: 1.4947868697603452
Energy: 0.8012079169650709
Energy: 0.9093967580079899
Energy: 0.8012079169650709
Energy: 1.5900983280516814
Energy: 0.8958276326811931
Energy: 0.8943573230454751
Energy: 0.8958276326811931
Energy: 1.6801648054795493
Energy: 0.8022757616373549
Energy: 0.9288513637438549
Energy: 0.802275761638564
Energy: 1.6760066053649776
Energy: 0.8017025278772565
Energy: 0.8961653588928391
Energy: 0.8017025278772565

minimum gb energy = 0.8011217896896634 eV
minimum distance =  2.32880027622853 Angstroms
sigma value = 1


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

Energy: 1.8415961888326473
Energy: 1.0081594606392452
Energy: 0.9526932727150447
Energy: 0.9530450012880836
Energy: 1.6118027010186697
Energy: 0.8288829863741483
Energy: 0.8295569370481497
Energy: 0.8288829863755267
Energy: 1.6299199936149558
Energy: 0.829007167852624
Energy: 0.8282302659490265
Energy: 0.8290071678512456
Energy: 1.6307480609227991
Energy: 0.8304211039315534
Energy: 0.828856223597287
Energy: 0.8304211039315534
Energy: 1.574155967512932
Energy: 0.8293559172672684
Energy: 1.0474983531004807
Energy: 0.8293559172672684
Energy: 1.6309206357398143
Energy: 0.829406469424371
Energy: 1.0484889149001158
Energy: 0.8294064694257494
Energy: 1.6303844184966376
Energy: 0.828837990837669
Energy: 1.062180437628883
Energy: 0.828837990837669
Energy: 1.446746786794476
Energy: 0.8305354041134915
Energy: 1.0605227593238578
Energy: 0.8305354041134915
Energy: 1.579905426846281
Energy: 0.914164943412691
Energy: 1.3426831817857245
Energy: 0.914164943412691
Energy: 1.4456954964617588
Energy: 0.9147617260600508
Energy: 1.4457699601222251
Energy: 0.9147617260600508
Energy: 1.4462191158947495
Energy: 0.9141127469538279
Energy: 1.3112818661293615
Energy: 0.9141127469524495
Energy: 1.0608700961496682
Energy: 0.9144358643755317
Energy: 1.2668020805283737
Energy: 0.9144358643769102
Energy: 1.0685006238554982
Energy: 0.8289525141382088
Energy: 1.4459862623377604
Energy: 0.8289525141382088
Energy: 1.0472226612893358
Energy: 0.830061488189275
Energy: 1.6309836634159154
Energy: 0.8300614881906536
Energy: 1.0473276404670187
Energy: 0.8291104956579612
Energy: 1.8433942942529544
Energy: 0.8291104956593083
Energy: 0.829254908404517
Energy: 0.8287503845316686
Energy: 1.6113758988446008
Energy: 0.8287503845316686
Energy: 0.8286758518104522
Energy: 0.8294281505850822
Energy: 1.6300451234214424
Energy: 0.8294281505850822
Energy: 0.8291991239419866
Energy: 0.8294836585207965
Energy: 1.6305395514253276
Energy: 0.8294836585207965
Energy: 0.8291562457828897
Energy: 0.829506225606035
Energy: 1.5741820678048368
Energy: 0.829506225606035
Energy: 1.0470254718212768
Energy: 0.8289113835619774
Energy: 1.6310492142050215
Energy: 0.8289113835633557
Energy: 1.0601189505555666
Energy: 0.8287858732091161
Energy: 1.6308703700265097
Energy: 0.8287858732091161
Energy: 1.0606090729528896
Energy: 0.8291829308371368
Energy: 1.4459956028825462
Energy: 0.8291829308371368
Energy: 1.0602624959798415
Energy: 0.9141523942850295
Energy: 1.5771825004517117
Energy: 0.9141523942850295
Energy: 1.4456387335702956
Energy: 0.9154692891997702
Energy: 1.4470575246721287
Energy: 0.9154692891997702
Energy: 1.3179579003887463
Energy: 0.9140391617298815
Energy: 1.446256158666267
Energy: 0.9140391617298815
Energy: 1.266372690083675
Energy: 0.9142836492790933
Energy: 1.0603995583492405
Energy: 0.9142836492790933
Energy: 1.4461618035924584
Energy: 0.828770755411971
Energy: 1.0693147453529046
Energy: 0.8287707554105926
Energy: 1.6306359603667173
Energy: 0.8290400838196585
Energy: 1.0479264851863976
Energy: 0.8290400838196585
Energy: 1.6109161173851934
Energy: 0.8290798905874285
Energy: 1.0473757771899248
Energy: 0.8290798905874285

minimum gb energy = 0.8282302659490265 eV
minimum distance =  2.33633551150881 Angstroms
sigma value = 25


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

Energy: 1.785482451776135
Energy: 1.0057539802973876
Energy: 1.3554242340241396
Energy: 0.9833382729047971
Energy: 1.5857623293952858
Energy: 0.9280879021494193
Energy: 0.8915990346376824
Energy: 0.9280879021494193
Energy: 1.595095720809679
Energy: 0.8905336054452037
Energy: 0.8904078404712862
Energy: 0.8905336054452037
Energy: 1.5954880961739457
Energy: 0.8908193033453127
Energy: 0.8906546454247536
Energy: 0.8908193033453127
Energy: 1.6315011711403902
Energy: 0.8911961379306168
Energy: 1.3191896969573007
Energy: 0.8911961379290145
Energy: 1.595311801286875
Energy: 0.8910423446896828
Energy: 1.259782439877447
Energy: 0.8910423446896828
Energy: 1.5949195847430113
Energy: 0.9798950937533194
Energy: 1.3072428713406046
Energy: 0.9798950937533194
Energy: 1.2877398358703425
Energy: 0.9800874348022768
Energy: 1.288411652842221
Energy: 0.9800874348022768
Energy: 1.3234015734650888
Energy: 0.9799647302928605
Energy: 1.28905234901871
Energy: 0.9799647302928605
Energy: 1.260438662284042
Energy: 0.8907963523640446
Energy: 1.5948049032793055
Energy: 0.8907963523640446
Energy: 1.2225658870679328
Energy: 0.8911668828524448
Energy: 1.5892549638626785
Energy: 0.8911668828540471
Energy: 0.8905575467879484
Energy: 0.8908868260855506
Energy: 1.589327266256461
Energy: 0.8908868260855506
Energy: 0.8897318200720097
Energy: 0.8905432839734021
Energy: 1.5940447941518756
Energy: 0.8905432839750044
Energy: 0.9267219446326431
Energy: 0.8910225224456407
Energy: 1.59565378294069
Energy: 0.8910225224456407
Energy: 0.8914182653159302
Energy: 0.8909598351104596
Energy: 1.6292475680513572
Energy: 0.8909598351104596
Energy: 1.0490912880327707
Energy: 0.9274303157744306
Energy: 1.5921032172087533
Energy: 0.9274303157744306
Energy: 1.0380945424500618
Energy: 0.8907906531939211
Energy: 1.5957500397045765
Energy: 0.8907906531939211
Energy: 1.0378764036126982
Energy: 0.8906060508837492
Energy: 1.496029755369192
Energy: 0.8906060508821471
Energy: 1.0692194267525952
Energy: 0.8910849779421036
Energy: 1.3210902165515364
Energy: 0.8910849779421036
Energy: 1.4958407574804338
Energy: 0.9917514273887504
Energy: 1.497577547813624
Energy: 0.9917514273887504
Energy: 1.4205405523715067
Energy: 0.8907030369701326
Energy: 1.4960691236207975
Energy: 0.8907030369701326
Energy: 1.3955875943336826
Energy: 0.8908329425377477
Energy: 1.038395013582994
Energy: 0.8908329425377477
Energy: 1.4964457749837945
Energy: 0.891542331884667
Energy: 1.0310328027241256
Energy: 0.891542331884667
Energy: 1.5947795500068431
Energy: 0.8911549086655788
Energy: 1.0801070886624617
Energy: 0.8911549086655788
Energy: 1.5874418931699614
Energy: 0.8908344932375698
Energy: 1.0077325441164278
Energy: 0.8908344932375698

minimum gb energy = 0.8897318200720097 eV
minimum distance =  2.325634581512 Angstroms
sigma value = 9


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

Energy: 1.6426212817095216
Energy: 1.1111162072337961
Energy: 0.9332752393957502
Energy: 0.9321478388179797
Energy: 1.4904999910825845
Energy: 0.9321642618284809
Energy: 0.9310888455162664
Energy: 0.9321642618284809
Energy: 1.5295994224494227
Energy: 0.9324992359519787
Energy: 0.9301142594780561
Energy: 0.9324992359521741
Energy: 1.531983655325858
Energy: 0.9323638178522077
Energy: 0.9314826784890792
Energy: 0.9323638178522077
Energy: 1.2779752467442478
Energy: 0.9338753439849368
Energy: 0.9322526762517228
Energy: 0.9338753439845459
Energy: 1.530157226788717
Energy: 1.0593019540937416
Energy: 1.211893369448375
Energy: 1.0593019540941107
Energy: 1.5301286928597924
Energy: 1.0596246723401959
Energy: 0.9147007414480786
Energy: 1.0596246723401959
Energy: 1.2449771736854958
Energy: 1.059189436151244
Energy: 1.243808930324486
Energy: 1.0591894361510483
Energy: 1.2872985040851437
Energy: 1.059914659132027
Energy: 1.2455660300888884
Energy: 1.059914659132027
Energy: 1.2107941031571818
Energy: 0.9324154491723661
Energy: 1.5304463032861972
Energy: 0.9324154491721706
Energy: 1.2121401281153066
Energy: 0.9330664401359458
Energy: 1.6515033393971674
Energy: 0.933066440136141
Energy: 0.9305360727440191
Energy: 0.9325781339324872
Energy: 1.4906128440275632
Energy: 0.9325781339322918
Energy: 0.932199175427824
Energy: 0.9326655551839741
Energy: 1.5299217894799584
Energy: 0.9326655551837787
Energy: 0.9326622474843357
Energy: 0.9336467511724397
Energy: 1.530796748352186
Energy: 0.9336467511730043
Energy: 0.9323947845488461
Energy: 0.9336376508455116
Energy: 1.2782787883403064
Energy: 0.9336376508455116
Energy: 1.2112645826120587
Energy: 1.0106613788662095
Energy: 1.5315880521682377
Energy: 1.0106613788658405
Energy: 0.9148867720361371
Energy: 0.9333023230167992
Energy: 1.5298463739273207
Energy: 0.9333023230167992
Energy: 0.9151188487258722
Energy: 1.060031511565138
Energy: 1.2104115986434336
Energy: 1.0600315115653334
Energy: 1.2454913103142555
Energy: 1.059650739413864
Energy: 1.2850365703759048
Energy: 1.0596507394136685
Energy: 1.530080908209002
Energy: 0.9327670195557992
Energy: 1.210639545679876
Energy: 0.9327670195565594
Energy: 1.4903362773784532
Energy: 0.9327446998300686
Energy: 1.2110235622223668
Energy: 0.9327446998304596

minimum gb energy = 0.9147007414480786 eV
minimum distance =  2.34262804013548 Angstroms
sigma value = 25


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

Energy: 1.4757571372112137
Energy: 1.0752268395506277
Energy: 1.0601972918256746
Energy: 1.059343202411814
Energy: 1.3264238294430284
Energy: 1.0657118452514904
Energy: 1.0310794251784878
Energy: 1.0657118452512755
Energy: 1.3852371963310928
Energy: 1.0305949153874554
Energy: 1.0300250838237734
Energy: 1.0305949153874554
Energy: 1.3951070321790446
Energy: 1.031614502175009
Energy: 1.0300259533996452
Energy: 1.0316145021745522
Energy: 1.254174281452253
Energy: 1.097742876721131
Energy: 1.3470393318065352
Energy: 1.097742876721131
Energy: 1.3959720533851703
Energy: 1.1279416333242245
Energy: 1.3856881571159723
Energy: 1.127941633324466
Energy: 1.3455442137856453
Energy: 1.097874509317861
Energy: 1.4065926768514012
Energy: 1.097874509317861
Energy: 1.0306125945455098
Energy: 1.031064041570393
Energy: 1.4065242180696187
Energy: 1.0310640415711183
Energy: 1.0293122096057863
Energy: 1.0307860410864969
Energy: 1.3865227092003702
Energy: 1.03078604108604
Energy: 1.0660438185825285
Energy: 1.0659638519887835
Energy: 1.3857421822027098
Energy: 1.0659638519887835
Energy: 1.049139280084229
Energy: 1.0315150655949525
Energy: 1.7133535674492812
Energy: 1.0315150655949525
Energy: 1.249375629889818
Energy: 1.0656474300957322
Energy: 1.3813333524148408
Energy: 1.0656474300957322
Energy: 1.2472383101746205
Energy: 1.0311497666250473
Energy: 1.3854949397269118
Energy: 1.0311497666248057
Energy: 1.2417145500547113
Energy: 1.03125305403249
Energy: 1.2387289937895614
Energy: 1.0312530540320066
Energy: 1.247794842289025
Energy: 1.0311804207292858
Energy: 1.258407329707245
Energy: 1.0311804207297692
Energy: 1.3854816489493713
Energy: 1.0310037308647968
Energy: 1.2383820608074712
Energy: 1.03100373086434
Energy: 1.3264374808666124
Energy: 1.0307622216805299
Energy: 1.1968214133898738
Energy: 1.0307622216805299

minimum gb energy = 1.0293122096057863 eV
minimum distance =  2.29790579467742 Angstroms
sigma value = 17


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

Energy: 1.8352165699502443
Energy: 1.0802381143717685
Energy: 1.0776909382736886
Energy: 1.0771751127646627
Energy: 1.308087068274976
Energy: 1.0749696548256025
Energy: 1.0769787531857948
Energy: 1.0749696548256025
Energy: 1.313839468808959
Energy: 1.0748742197791077
Energy: 1.0746798778445328
Energy: 1.0748742197791077
Energy: 1.3115550543844217
Energy: 1.0778812117153698
Energy: 1.0772366838752747
Energy: 1.0778812117153698
Energy: 1.313027141657269
Energy: 1.1333156492268295
Energy: 1.3107726843535383
Energy: 1.1333156492268295
Energy: 1.3240780672791117
Energy: 1.0617306088504412
Energy: 1.3303093453340251
Energy: 1.0617306088504412
Energy: 1.2350573847885788
Energy: 1.06127136696108
Energy: 1.3064547641902704
Energy: 1.06127136696108
Energy: 1.0600254455025162
Energy: 1.093629677645044
Energy: 1.3393709600226087
Energy: 1.093629677645044
Energy: 1.0627811801825435
Energy: 1.0620746005581403
Energy: 1.3354905021865258
Energy: 1.0620746005581403
Energy: 1.0822942703190153
Energy: 1.0678424046339972
Energy: 1.3304355992063726
Energy: 1.0678424046326582
Energy: 1.0641904127550048
Energy: 1.0631203325481664
Energy: 1.4591051858152164
Energy: 1.0631203325468277
Energy: 1.3403045794065023
Energy: 1.0617241852918842
Energy: 1.330259279835519
Energy: 1.0617241852918842
Energy: 1.308161117284808
Energy: 1.0836700954336713
Energy: 1.293523730837978
Energy: 1.0836700954336713
Energy: 1.3080815095863028
Energy: 1.061428915391126
Energy: 1.0613216918207242
Energy: 1.061428915391126
Energy: 1.330468231208965
Energy: 1.0612247137711357
Energy: 1.0809437643018711
Energy: 1.0612247137711357
Energy: 1.3302941168988727
Energy: 1.0621452689301503
Energy: 1.0622190290130578
Energy: 1.0621452689301503
Energy: 1.3281164646385926
Energy: 1.1316041540781814
Energy: 1.0580923715902069
Energy: 1.13160415407952
Energy: 1.3282452957683424
Energy: 1.100087267611619
Energy: 1.2374506619523984
Energy: 1.100087267611619
Energy: 1.3329915444406715
Energy: 1.1685202592118882
Energy: 1.3120210111572568
Energy: 1.1685202592118882
Energy: 1.0751154029731138
Energy: 1.0737391477921316
Energy: 1.3326442536883834
Energy: 1.0737391477921316
Energy: 1.077452588813098
Energy: 1.0785701930788532
Energy: 1.3128574214947801
Energy: 1.0785701930788532
Energy: 1.07465556076587
Energy: 1.0749303045739729
Energy: 1.3236320295927646
Energy: 1.0749303045726342
Energy: 1.184154399583676
Energy: 1.0762061661878792
Energy: 1.3282900386669936
Energy: 1.0762061661865405
Energy: 1.1536575522807573
Energy: 1.0749186342048633
Energy: 1.327137190232521
Energy: 1.074918634199508
Energy: 1.1974304235572546
Energy: 1.075300163605693
Energy: 1.3402421084660148
Energy: 1.075300163605693
Energy: 1.1951495319135674
Energy: 1.0740812846146304
Energy: 1.3242626871777257
Energy: 1.0740812846146304
Energy: 1.1976980063760692
Energy: 1.1665907269768965
Energy: 1.1993791042784425
Energy: 1.1665907269768965
Energy: 1.313941352483516
Energy: 1.074173565363454
Energy: 1.1974977329379086
Energy: 1.0741735653621154
Energy: 1.343880940589743
Energy: 1.0745509489605685
Energy: 1.1975802884913493
Energy: 1.0745509489592298
Energy: 1.3370036036034971
Energy: 1.0749906862359413
Energy: 1.1516509572795348
Energy: 1.0749906862305862

minimum gb energy = 1.0580923715902069 eV
minimum distance =  2.28539178866951 Angstroms
sigma value = 53


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

Energy: 0.9784337390856273
Energy: 0.9833744408741929
Energy: 1.0185331867596372
Energy: 1.0564020293128795
Energy: 0.9826424972041573
Energy: 1.0519048825931367
Energy: 1.0169366831820115
Energy: 1.051904882593452
Energy: 1.0174621003818498
Energy: 1.0215065398185166
Energy: 1.0110690897965817
Energy: 1.0215065398182017
Energy: 1.184970459276971
Energy: 1.022339307455532
Energy: 1.0183741455888304
Energy: 1.0223393074552167
Energy: 1.184834089685981
Energy: 1.052971907166821
Energy: 1.0184000755084048
Energy: 1.0529719071671364
Energy: 1.1833804805529617
Energy: 1.0520697636203766
Energy: 1.0188689151787935
Energy: 1.0520697636203766
Energy: 1.018566811075668
Energy: 1.0197124447327086
Energy: 0.9823426737280504
Energy: 1.0197124447327086
Energy: 1.0164432841335227
Energy: 1.0545219306252533
Energy: 0.9824621443886419
Energy: 1.0545219306252533
Energy: 1.0155852267146748
Energy: 1.0546026284491383
Energy: 1.018781623167702
Energy: 1.0546026284491383
Energy: 1.0189839627461188
Energy: 1.0516423273008049
Energy: 1.1849546768759727
Energy: 1.0516423273008049
Energy: 1.019015930884588
Energy: 1.0489418980016603
Energy: 1.618010380535421
Energy: 1.0489418980016603
Energy: 1.017973950204505
Energy: 1.0542933613589622
Energy: 1.1852207215120143
Energy: 1.0542933613592775
Energy: 0.9827146477376117
Energy: 1.0201767447883814
Energy: 1.017781437501999
Energy: 1.0201767447880663

minimum gb energy = 0.9784337390856273 eV
minimum distance =  2.32637798209015 Angstroms
sigma value = 9


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

Energy: 1.6577956545226802
Energy: 1.149858970427473
Energy: 1.1857423595939014
Energy: 1.1855369157820237
Energy: 1.3870277328627898
Energy: 1.1669942753134752
Energy: 1.185652082603055
Energy: 1.1669942753146159
Energy: 1.1861419969009093
Energy: 1.1866941231409274
Energy: 1.185346125450772
Energy: 1.1866941231409274
Energy: 1.1859196409201065
Energy: 1.1872800137085833
Energy: 1.1835425768388501
Energy: 1.1872800137085833
Energy: 1.18250924686781
Energy: 1.1870538663847097
Energy: 1.1858435274024979
Energy: 1.1870538663858503
Energy: 1.1863866428957697
Energy: 1.1711833396378692
Energy: 1.3106903133359273
Energy: 1.1711833396378692
Energy: 1.1844426602958626
Energy: 1.286076951589938
Energy: 1.4555972983691639
Energy: 1.286076951589938
Energy: 1.321126669954171
Energy: 1.2095380832643505
Energy: 1.4553031021951068
Energy: 1.209538083265491
Energy: 1.31992698856283
Energy: 1.249471396487362
Energy: 1.27979169074192
Energy: 1.2494713964862212
Energy: 1.214439807323905
Energy: 1.1861246260991538
Energy: 1.1702494918806488
Energy: 1.1861246260991538
Energy: 1.3197267811724702
Energy: 1.164639866039579
Energy: 1.1615665232979255
Energy: 1.1646398660372974
Energy: 1.35991475625285
Energy: 1.1713861790876363
Energy: 1.170830139700739
Energy: 1.1713861790864954
Energy: 1.4557432033494877
Energy: 1.1905141565179544
Energy: 1.2919923229763404
Energy: 1.1905141565168138
Energy: 1.455633432819164
Energy: 1.1701560701096319
Energy: 1.353481678865754
Energy: 1.1701560701096319
Energy: 1.4301307135006387
Energy: 1.1709418030828571
Energy: 1.4325948020672423
Energy: 1.1709418030828571
Energy: 1.3770955800858973
Energy: 1.217934222626896
Energy: 1.4145977705055515
Energy: 1.217934222626896
Energy: 1.1832437946899097
Energy: 1.1860906122052206
Energy: 1.4358422703174933
Energy: 1.1860906122040797
Energy: 1.1781613970981164
Energy: 1.1811888109387227
Energy: 1.4132554572358158
Energy: 1.1811888109398634
Energy: 1.2034453809359045
Energy: 1.177073164691758
Energy: 1.458068215481095
Energy: 1.177073164691758
Energy: 1.3556581625104442
Energy: 1.1785627285401663
Energy: 1.4340190527127576
Energy: 1.1785627285401663
Energy: 1.4631636892895372
Energy: 1.216127873781051
Energy: 1.4577896033142614
Energy: 1.2161278737799102
Energy: 1.4460986506531275
Energy: 1.2087283527168748
Energy: 1.3727105262029053
Energy: 1.208728352715734
Energy: 1.4463213019222185
Energy: 1.2085886512741448
Energy: 1.2003333980992938
Energy: 1.2085886512741448
Energy: 1.4580839168314395
Energy: 1.2416050831650536
Energy: 1.1809003200001742
Energy: 1.2416050831650536
Energy: 1.433083959392668
Energy: 1.172686209791852
Energy: 1.1833072027006963
Energy: 1.1726862097895705
Energy: 1.3152536456522028
Energy: 1.2135604951983632
Energy: 1.187241851177674
Energy: 1.2135604951972225
Energy: 1.4364131488347056
Energy: 1.1935160194879457
Energy: 1.3869395249731002
Energy: 1.1935160194890864
Energy: 1.4352985049123836
Energy: 1.2143535381436987
Energy: 1.4600040213829097
Energy: 1.2143535381448394
Energy: 1.172185560027869
Energy: 1.169686250205903
Energy: 1.4450704675368022
Energy: 1.169686250205903
Energy: 1.1704918437216145
Energy: 1.1734043616730823
Energy: 1.429583149478875
Energy: 1.173404361674223
Energy: 1.1678275761449364
Energy: 1.170598341004617
Energy: 1.32463120309611
Energy: 1.1705983410034764
Energy: 1.1646738903027385
Energy: 1.165117031926077
Energy: 1.3159411174097422
Energy: 1.165117031927218
Energy: 1.2804030526013497
Energy: 1.1890951025608736
Energy: 1.3151534917557801
Energy: 1.1890951025608736
Energy: 1.2797776138837824
Energy: 1.1707054041828469
Energy: 1.3202574931244468
Energy: 1.1707054041828469
Energy: 1.446560594368713
Energy: 1.186077250026204
Energy: 1.2796843457437446
Energy: 1.186077250048967

minimum gb energy = 1.149858970427473 eV
minimum distance =  2.21322125618901 Angstroms
sigma value = 73


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

Energy: 1.6363765872037825
Energy: 1.1605732233938775
Energy: 1.2986727947261973
Energy: 1.211984981012564
Energy: 1.4881650204165338
Energy: 1.2513725905651867
Energy: 1.2855121504176896
Energy: 1.2513725905651867
Energy: 1.214722912454599
Energy: 1.2289866356660761
Energy: 1.2135742788509456
Energy: 1.2289866356658912
Energy: 1.2139874842483847
Energy: 1.2293627415233181
Energy: 1.2110763639051094
Energy: 1.2293627415231332
Energy: 1.209342082759156
Energy: 1.2285842500075295
Energy: 1.2147453221366202
Energy: 1.2285842500078792
Energy: 1.285395856278441
Energy: 1.250340768196159
Energy: 1.3991310580404643
Energy: 1.2503407681959735
Energy: 1.4027767811916756
Energy: 1.3155234466332975
Energy: 1.534241121810136
Energy: 1.3155234466331123
Energy: 1.4156018088493165
Energy: 1.301826310443273
Energy: 1.5336777030216464
Energy: 1.301826310443273
Energy: 1.411249723228709
Energy: 1.1921571290648139
Energy: 1.398649428302414
Energy: 1.192157129065184
Energy: 1.25856807611337
Energy: 1.280445246443559
Energy: 1.19525896796506
Energy: 1.2804452464437441
Energy: 1.4129478475095396
Energy: 1.1928762014426029
Energy: 1.1877274394931947
Energy: 1.1928762014426029
Energy: 1.404862248966844
Energy: 1.2224225197762384
Energy: 1.2011194665097724
Energy: 1.2224225197764236
Energy: 1.4017094809335826
Energy: 1.2632847011645376
Energy: 1.263951374608012
Energy: 1.2632847011641675
Energy: 1.402501834491654
Energy: 1.1963184721959605
Energy: 1.4711809586975615
Energy: 1.1963184721954256
Energy: 1.530242077197083
Energy: 1.293890363537289
Energy: 1.5302026961022988
Energy: 1.293890363537289
Energy: 1.4752557475532646
Energy: 1.197880541773273
Energy: 1.53624590164247
Energy: 1.197880541773088
Energy: 1.2658031391999356
Energy: 1.2654255208596727
Energy: 1.5401555170741168
Energy: 1.2654255208596727
Energy: 1.1988777328433486
Energy: 1.1993800601978308
Energy: 1.4119747486164524
Energy: 1.1993800601979954
Energy: 1.1897410519720324
Energy: 1.1925531986296873
Energy: 1.4137383981129472
Energy: 1.1925531986293378
Energy: 1.194669969080757
Energy: 1.280395810268413
Energy: 1.4134716994929297
Energy: 1.2803958102689683
Energy: 1.382835202812684
Energy: 1.1920577936922825
Energy: 1.4143831670108036
Energy: 1.1920577936926322
Energy: 1.5325745649077336
Energy: 1.2991844867987916
Energy: 1.4139808641670963
Energy: 1.2991844867984215

minimum gb energy = 1.1605732233938775 eV
minimum distance =  2.26952605157606 Angstroms
sigma value = 7


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

Energy: 1.8718581940253138
Energy: 1.171586106542596
Energy: 1.2544825828990518
Energy: 1.2549698924344683
Energy: 1.6154074471704851
Energy: 1.3034695163442651
Energy: 1.3201343088434698
Energy: 1.3034695163442651
Energy: 1.2982268573861735
Energy: 1.2299123086202384
Energy: 1.2344541102928681
Energy: 1.2299123086189587
Energy: 1.2350348205753083
Energy: 1.2317194329733632
Energy: 1.2291941813154759
Energy: 1.2317194329733632
Energy: 1.2295912877512463
Energy: 1.2497115594498833
Energy: 1.2352364773219795
Energy: 1.2497115594498833
Energy: 1.3178684542271035
Energy: 1.2833720767321453
Energy: 1.4564512576206174
Energy: 1.283372076733425
Energy: 1.3199440200752839
Energy: 1.3202789705431504
Energy: 1.4901496200644415
Energy: 1.32027897054443
Energy: 1.4818065735792134
Energy: 1.3053838787347862
Energy: 1.4916990299311854
Energy: 1.3053838787347862
Energy: 1.4788966689068117
Energy: 1.2428884027567162
Energy: 1.4567441199943694
Energy: 1.2428884027567162
Energy: 1.295295575937693
Energy: 1.2543596157962222
Energy: 1.2444137361392413
Energy: 1.2543596157962222
Energy: 1.477636475070909
Energy: 1.2287926080833436
Energy: 1.2386653446366818
Energy: 1.2287926080833436
Energy: 1.3621319465548163
Energy: 1.1898601126789399
Energy: 1.2314740457673767
Energy: 1.18986011267766
Energy: 1.483561733582205
Energy: 1.2433047684671923
Energy: 1.2430504990233118
Energy: 1.2433047684659122
Energy: 1.481434159882052
Energy: 1.3156618196368668
Energy: 1.3780453882988415
Energy: 1.3156618196368668
Energy: 1.477368013620306
Energy: 1.284878736155585
Energy: 1.4525020381071685
Energy: 1.284878736155585
Energy: 1.4522581406895076
Energy: 1.2963068605805999
Energy: 1.6140729869327932
Energy: 1.2963068605805999
Energy: 1.320133169310912
Energy: 1.3048629362136666
Energy: 1.6159780679334348
Energy: 1.304862936212387
Energy: 1.2345424516991552
Energy: 1.2317213682707397
Energy: 1.3048202925069958
Energy: 1.2317213682707397
Energy: 1.2295747310816154
Energy: 1.24857488970192
Energy: 1.2351628934270433
Energy: 1.24857488970192
Energy: 1.2353186894141874
Energy: 1.2489592399855514
Energy: 1.2314708553845868
Energy: 1.2489592399842717
Energy: 1.298867067076331
Energy: 1.2853953089078518
Energy: 1.296994169315977
Energy: 1.2853953089078518
Energy: 1.4902679274378117
Energy: 1.3048244412437924
Energy: 1.3194209481736425
Energy: 1.3048244412437924
Energy: 1.4898787983424624
Energy: 1.321213002827408
Energy: 1.4813384383961086
Energy: 1.321213002827408
Energy: 1.4519652502731069
Energy: 1.2299661104996007
Energy: 1.4766304103017716
Energy: 1.2299661104996007
Energy: 1.4149799113799424
Energy: 1.192863802905433
Energy: 1.2946376873913545
Energy: 1.192863802905433
Energy: 1.2399680025063544
Energy: 1.2421600214577373
Energy: 1.293499657550838
Energy: 1.2421600214577373
Energy: 1.185009365984128
Energy: 1.1875708326334833
Energy: 1.3605521487250152
Energy: 1.1875708326347632
Energy: 1.2404718332557405
Energy: 1.2422095165216076
Energy: 1.4832767553411006
Energy: 1.2422095165216076
Energy: 1.4005354059192203
Energy: 1.1878756533477952
Energy: 1.48213811664382
Energy: 1.1878756533465156
Energy: 1.4526165513500895
Energy: 1.2300616047762103
Energy: 1.4774202163101398
Energy: 1.2300616047762103
Energy: 1.615469773294016
Energy: 1.3047136236378332
Energy: 1.4821957689001222
Energy: 1.3047136236378332

minimum gb energy = 1.171586106542596 eV
minimum distance =  2.28206214997677 Angstroms
sigma value = 29


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

Energy: 1.3812493761812845
Energy: 1.2399301657934096
Energy: 1.2163243223698754
Energy: 1.2197669936308344
Energy: 1.298369671714239
Energy: 1.1954174498054582
Energy: 1.2184880987639806
Energy: 1.1954174498054582
Energy: 1.2177199629369053
Energy: 1.1943867349602275
Energy: 1.2164644735060242
Energy: 1.1943867349606487
Energy: 1.213963596689227
Energy: 1.1908094228606756
Energy: 1.1002729233106343
Energy: 1.1908094228615425
Energy: 1.2130680601473214
Energy: 1.1961262019457533
Energy: 1.2192337432856646
Energy: 1.1961262019461991
Energy: 1.2162479783483477
Energy: 1.1955217264572904
Energy: 1.2978111055288335
Energy: 1.1955217264572904
Energy: 1.2164726201089457
Energy: 1.2193652935007842
Energy: 1.2022482926265532
Energy: 1.2193652935007842
Energy: 1.2942909537748777
Energy: 1.19717835349011
Energy: 1.2990674598684218
Energy: 1.19717835349011
Energy: 1.2959706500174761
Energy: 1.197447484838332
Energy: 1.2987196396919831
Energy: 1.1974474848387533

minimum gb energy = 1.1002729233106343 eV
minimum distance =  2.355512693703 Angstroms
sigma value = 5


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

Energy: 1.5779351778644337
Energy: 1.3620231689183184
Energy: 1.401629277868622
Energy: 1.3973704084549257
Energy: 1.1702425656637594
Energy: 1.1575715055067626
Energy: 1.40277994414552
Energy: 1.1575715055079714
Energy: 1.149286467141251
Energy: 1.1488329112960527
Energy: 1.3840435272756366
Energy: 1.1488329112948439
Energy: 1.1486701113711313
Energy: 1.1477453474514445
Energy: 1.3386429063708696
Energy: 1.147745347452653
Energy: 1.150708961388406
Energy: 1.1479444799469827
Energy: 1.3942276674831546
Energy: 1.1479444799469827
Energy: 1.1908815570175146
Energy: 1.1949407520596322
Energy: 1.3202419833859185
Energy: 1.1949407520596322
Energy: 1.1907966615339292
Energy: 1.1951547644913803
Energy: 1.3040633577710732
Energy: 1.1951547644901712
Energy: 1.1936275435031558
Energy: 1.2208722621742685
Energy: 1.3020481158193842
Energy: 1.2208722621742685
Energy: 1.4434350915002427
Energy: 1.2503631980450634
Energy: 1.3209528847166145
Energy: 1.2503631980450634
Energy: 1.3808366210649037
Energy: 1.3034995727195358
Energy: 1.406660141893328
Energy: 1.3034995727195358
Energy: 1.4434209905759254
Energy: 1.249793094262547
Energy: 1.4554043965085177
Energy: 1.2497930942637558
Energy: 1.3707892894785307
Energy: 1.1852587658689226
Energy: 1.4248452696112714
Energy: 1.1852587658689226
Energy: 1.3222716356783468
Energy: 1.3026885319443717
Energy: 1.4248744538606253
Energy: 1.3026885319443717
Energy: 1.3054248914919195
Energy: 1.253835339929049
Energy: 1.1942383727107821
Energy: 1.2538353399302578
Energy: 1.3052043295262583
Energy: 1.195224576204066
Energy: 1.1939906068185664
Energy: 1.195224576204066
Energy: 1.3009805632936011
Energy: 1.2203139549713915
Energy: 1.1920216752509212
Energy: 1.2203139549726005
Energy: 1.3480289787228432
Energy: 1.1932874682604948
Energy: 1.1935450359622946
Energy: 1.1932874682616488
Energy: 1.383540391417499
Energy: 1.1476706526826475
Energy: 1.1460232061057762
Energy: 1.1476706526826475
Energy: 1.3862751806643065
Energy: 1.1485771618070657
Energy: 1.1493067353599693
Energy: 1.1485771618070657
Energy: 1.3835680169216862
Energy: 1.1482032251272694
Energy: 1.1502769525880379
Energy: 1.1482032251296872
Energy: 1.3962130398070287
Energy: 1.3085250079731825
Energy: 1.460721285705967
Energy: 1.3085250079731825
Energy: 1.4342790844751967
Energy: 1.2736294732387738
Energy: 1.4606020228024639
Energy: 1.273629473239928
Energy: 1.4630452730164125
Energy: 1.158382733382072
Energy: 1.1532484017713975
Energy: 1.158382733382072
Energy: 1.4284124148681823
Energy: 1.1951131362361558
Energy: 1.2322684157226846
Energy: 1.1951131362349472
Energy: 1.4280648972919894
Energy: 1.1460796851310808
Energy: 1.1933696375752094
Energy: 1.1460796851310808
Energy: 1.2435012943384218
Energy: 1.2980680631186523
Energy: 1.2765084316701196
Energy: 1.2980680631186523
Energy: 1.2409048181393707
Energy: 1.2722264878862153
Energy: 1.2428979809688507
Energy: 1.2722264878862153
Energy: 1.2426904008140838
Energy: 1.2706333339247093
Energy: 1.2440555237886164
Energy: 1.2706333339247093
Energy: 1.1945837664242247
Energy: 1.1559835387650765
Energy: 1.243491287181213
Energy: 1.1559835387650765
Energy: 1.1924677621906963
Energy: 1.1939383619513642
Energy: 1.382781860644823
Energy: 1.1939383619525734
Energy: 1.232762514710523
Energy: 1.193947549000329
Energy: 1.382831533757136
Energy: 1.1939475490015383
Energy: 1.1486927503110635
Energy: 1.1592060651314986
Energy: 1.4703884542518086
Energy: 1.1592060651314986
Energy: 1.4934875372890168
Energy: 1.3927816435966327
Energy: 1.4896222879848007
Energy: 1.3927816435954234

minimum gb energy = 1.1460232061057762 eV
minimum distance =  2.23434033025463 Angstroms
sigma value = 1


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

Energy: 1.5943753776878031
Energy: 1.0794873500591595
Energy: 1.242288022820704
Energy: 1.2385378957511826
Energy: 1.3992524117761116
Energy: 1.1661298390374195
Energy: 1.1352191631956996
Energy: 1.1661298390374195
Energy: 1.134780466157935
Energy: 1.1623429987502434
Energy: 1.2987194751245605
Energy: 1.1623429987502434
Energy: 1.1295287469525954
Energy: 1.163693782397085
Energy: 1.1857694448661054
Energy: 1.1636937823954137
Energy: 1.1326863593201961
Energy: 1.1635111869292996
Energy: 1.265872373240966
Energy: 1.1635111869292996
Energy: 1.1314171935381174
Energy: 1.1652515993474433
Energy: 1.2472777320734045
Energy: 1.1652515993457717
Energy: 1.1317333038453377
Energy: 1.1645156287949225
Energy: 1.3030342974462485
Energy: 1.1645156287949225
Energy: 1.1338928756255666
Energy: 1.1615757844627312
Energy: 1.2988731675035357
Energy: 1.1615757844644028
Energy: 1.1357928415596523
Energy: 1.1656023728680733
Energy: 1.242321076882901
Energy: 1.1656023728680733
Energy: 1.2919643207872449
Energy: 1.1338051535183589
Energy: 1.1331082249571933
Energy: 1.1338051535183589
Energy: 1.1349336104110943
Energy: 1.1656500406794739
Energy: 1.2870583961400703
Energy: 1.1656500406794739
Energy: 1.1334533535086164
Energy: 1.1628668456418112
Energy: 1.4005169128816106
Energy: 1.1628668456418112
Energy: 1.133149564910182
Energy: 1.16332791485096
Energy: 1.4006450149271437
Energy: 1.16332791485096
Energy: 1.1377012045518349
Energy: 1.163181139483391
Energy: 1.13569094078724
Energy: 1.163181139483391
Energy: 1.185230426059914
Energy: 1.1633882716757853
Energy: 1.1353769340187518
Energy: 1.1633882716757853
Energy: 1.183629883618055
Energy: 1.1609408752065349
Energy: 1.1319611868730797
Energy: 1.1609408752065349
Energy: 1.2386459323099197
Energy: 1.1992473828572665
Energy: 1.1336256270472491
Energy: 1.1992473828572665
Energy: 1.2996500111773568
Energy: 1.161384297176775
Energy: 1.1303429786886459
Energy: 1.161384297176775
Energy: 1.3032122732544296
Energy: 1.1646742052377754
Energy: 1.1346587477090233
Energy: 1.1646742052377754
Energy: 1.2446708091310823
Energy: 1.2011232817622066
Energy: 1.1354999007032456
Energy: 1.2011232817622066
Energy: 1.245792724254818
Energy: 1.1354101455900831
Energy: 1.293115343375378
Energy: 1.1354101455900831
Energy: 1.285082856747012
Energy: 1.1348859688840829
Energy: 1.2921449836315915
Energy: 1.1348859688840829
Energy: 1.2873170522784423
Energy: 1.1638414018219843
Energy: 1.1351384057833729
Energy: 1.1638414018219843
Energy: 1.4006061773530871
Energy: 1.1642228586131886
Energy: 1.1339687207431637
Energy: 1.1642228586131886

minimum gb energy = 1.0794873500591595 eV
minimum distance =  2.28784463600761 Angstroms
sigma value = 17


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

Energy: 1.493407480725934
Energy: 1.4012122502977333
Energy: 1.494501057069033
Energy: 1.497691475001351
Energy: 1.1020060209834925
Energy: 1.1832589890284197
Energy: 1.1598557905965472
Energy: 1.1832589890273866
Energy: 1.0998248006422384
Energy: 1.0984285962551072
Energy: 1.3653341704698334
Energy: 1.0984285962561404
Energy: 1.1009502625943308
Energy: 1.0980851320089968
Energy: 1.3609683833575965
Energy: 1.0980851320089968
Energy: 1.104473882534956
Energy: 1.1001416701127045
Energy: 1.219254754783854
Energy: 1.1001416701127045
Energy: 1.2078872260243545
Energy: 1.2207833656489473
Energy: 1.2196704296061476
Energy: 1.2207833656499805
Energy: 1.2083771204027876
Energy: 1.2216131791055764
Energy: 1.2130479929199185
Energy: 1.2216131791066096
Energy: 1.2180893335933334
Energy: 1.2176352103893429
Energy: 1.2076963939846321
Energy: 1.2176352103893429
Energy: 1.2853147296489518
Energy: 1.0980689528059417
Energy: 1.0997863414620355
Energy: 1.098068952806928
Energy: 1.3269760114379985
Energy: 1.116301407003537
Energy: 1.0992281383402458
Energy: 1.116301407003537
Energy: 1.4074532785201779
Energy: 1.098767326341753
Energy: 1.0994457127767245
Energy: 1.0987673263438191
Energy: 1.1598622693310814
Energy: 1.1862129289181798
Energy: 1.3147528382138005
Energy: 1.1862129289192127
Energy: 1.5225137489644687
Energy: 1.2150118862709984
Energy: 1.314567076986485
Energy: 1.2150118862720318
Energy: 1.2876500563369209
Energy: 1.102704640368122
Energy: 1.0997865019025788
Energy: 1.1027046403670888
Energy: 1.359251959837026
Energy: 1.1012454539354395
Energy: 1.1933448248591842
Energy: 1.1012454539364727
Energy: 1.4537714568942344
Energy: 1.0999340351843603
Energy: 1.1732591605679044
Energy: 1.0999340351833273
Energy: 1.1583504079349918
Energy: 1.2394018251958059
Energy: 1.2060625193280812
Energy: 1.2394018251968388
Energy: 1.1593712049817422
Energy: 1.206125071594159
Energy: 1.266890543119274
Energy: 1.206125071594159
Energy: 1.1593027594829322
Energy: 1.2028099517945785
Energy: 1.2653705049370716
Energy: 1.2028099517956117
Energy: 1.1197993244257352
Energy: 1.1223939390779734
Energy: 1.2851878417095384
Energy: 1.1223939390779734
Energy: 1.1202186321808612
Energy: 1.121907247219877
Energy: 1.3320157657387723
Energy: 1.121907247219877
Energy: 1.1202742259933793
Energy: 1.122389304838889
Energy: 1.3295681530358017
Energy: 1.1223893048409554
Energy: 1.1210573685683458
Energy: 1.1804586313703833
Energy: 1.124311801982662
Energy: 1.1804586313724492
Energy: 1.4055848577568013
Energy: 1.3264277737717332
Energy: 1.3281511453069768
Energy: 1.326427773772766
Energy: 1.314797778594174
Energy: 1.1179889459922256
Energy: 1.2137304066799481
Energy: 1.1179889459922256
Energy: 1.1199152353332131
Energy: 1.1707899770416428
Energy: 1.1223047113936213
Energy: 1.1707899770426762
Energy: 1.3410328936856364
Energy: 1.3240412657936613
Energy: 1.4514196140903446
Energy: 1.3240412657946945
Energy: 1.122224365044479
Energy: 1.1206363832960895
Energy: 1.1364544828037557
Energy: 1.1206363832971225
Energy: 1.3299662898721716
Energy: 1.121543325834055
Energy: 1.1199666039492286
Energy: 1.1215433258330216
Energy: 1.2938537154306227
Energy: 1.121941062161749
Energy: 1.12031090815749
Energy: 1.121941062162782
Energy: 1.2393867974697164
Energy: 1.1222310035504228
Energy: 1.1208551421370625
Energy: 1.1222310035483567
Energy: 1.2779410650002507
Energy: 1.2058185439414677
Energy: 1.157990432221628
Energy: 1.2058185439404345
Energy: 1.2668978523515877
Energy: 1.2050190114105357
Energy: 1.157013838719301
Energy: 1.2050190114095023
Energy: 1.2657189614740492
Energy: 1.2025164928431153
Energy: 1.1575750652988839
Energy: 1.202516492841049
Energy: 1.1056825530416423
Energy: 1.0992503779753926
Energy: 1.1581852395918855
Energy: 1.0992503779753926
Energy: 1.170121941634764
Energy: 1.1709505868211916
Energy: 1.4069593559217224
Energy: 1.1709505868232577
Energy: 1.0994728313587865
Energy: 1.0990011768697867
Energy: 1.1589595342278793
Energy: 1.0990011768708197
Energy: 1.1345039802405015
Energy: 1.1864912651840775
Energy: 1.1574517449794925
Energy: 1.1864912651840775

minimum gb energy = 1.0980689528059417 eV
minimum distance =  2.26773423081176 Angstroms
sigma value = 89


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

Energy: 1.7155440594306475
Energy: 1.0579607294036701
Energy: 1.3025235484823448
Energy: 1.3008869171588069
Energy: 1.0654299509519425
Energy: 1.06146189961119
Energy: 1.0631887769653372
Energy: 1.0614618996114356
Energy: 1.0621088373335097
Energy: 1.090837254041659
Energy: 1.2116235436912215
Energy: 1.0908372540414133
Energy: 1.0585301288695879
Energy: 1.0626312888307774
Energy: 1.2114531884626032
Energy: 1.0626312888307774
Energy: 1.0616778427994085
Energy: 1.0619188036448803
Energy: 1.1476294308317818
Energy: 1.0619188036448803
Energy: 1.1430878968448013
Energy: 1.1334549247728383
Energy: 1.1455140462651756
Energy: 1.1334549247725927
Energy: 1.1442069947363172
Energy: 1.1303586613307848
Energy: 1.1452668614793113
Energy: 1.130358661330539
Energy: 1.147569655166928
Energy: 1.1328226057003903
Energy: 1.143923452356963
Energy: 1.1328226057001447
Energy: 1.1479091140660298
Energy: 1.0629160560989124
Energy: 1.0594194118543605
Energy: 1.0629160560991886
Energy: 1.1771228727195922
Energy: 1.0611848557600252
Energy: 1.0617876866933813
Energy: 1.0611848557600252
Energy: 1.3276173993607099
Energy: 1.0628883376251446
Energy: 1.062177001873436
Energy: 1.0628883376251446
Energy: 1.0634213885845143
Energy: 1.0614775306053494
Energy: 1.3215377148958305
Energy: 1.0614775306053494
Energy: 1.0606313120719444
Energy: 1.0629160647071465
Energy: 1.3213680252391249
Energy: 1.0629160647071465
Energy: 1.0612464599748461
Energy: 1.1648120676784908
Energy: 1.0622260672465087
Energy: 1.1648120676782452
Energy: 1.0642921658230353
Energy: 1.0617158906660245
Energy: 1.0622626502386174
Energy: 1.0617158906660245

minimum gb energy = 1.0579607294036701 eV
minimum distance =  2.28369168537083 Angstroms
sigma value = 13


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

Energy: 1.4715359461255573
Energy: 1.0403462941263184
Energy: 1.1973254234238508
Energy: 1.1963063561947191
Energy: 1.0187010123676443
Energy: 1.0599590517158664
Energy: 1.032155325414478
Energy: 1.0599590517158664
Energy: 1.0302958472589685
Energy: 1.0306754242423657
Energy: 1.242604499670691
Energy: 1.0306754242423657
Energy: 1.0274807001507997
Energy: 1.0303241231362945
Energy: 1.235110610191667
Energy: 1.0303241231374274
Energy: 1.0309114127063177
Energy: 1.0758040655063932
Energy: 1.0779618068728867
Energy: 1.0758040655063932
Energy: 1.1600882067861185
Energy: 1.0663947765514812
Energy: 1.0512407745156513
Energy: 1.0663947765503483
Energy: 1.156435261602839
Energy: 1.0656983603024548
Energy: 1.0484527077828336
Energy: 1.0656983603035879
Energy: 1.1267638441024788
Energy: 1.0524611099663033
Energy: 1.0510004157530999
Energy: 1.0524611099663033
Energy: 1.1071595646114667
Energy: 1.06770278904605
Energy: 1.04712719631039
Energy: 1.06770278904605
Energy: 1.15687846919018
Energy: 1.0672828774864251
Energy: 1.0455472507740349
Energy: 1.0672828774875582
Energy: 1.1544997924946714
Energy: 1.1058827122009764
Energy: 1.0791733553913976
Energy: 1.1058827122009764
Energy: 1.027429416714446
Energy: 1.0298971187263732
Energy: 1.0785035788911512
Energy: 1.0298971187263732
Energy: 1.0302798776105155
Energy: 1.0302727505950444
Energy: 1.1444263216463746
Energy: 1.0302727505950444
Energy: 1.0297981783684749
Energy: 1.0626640690849352
Energy: 1.147176975248465
Energy: 1.0626640690849352
Energy: 1.0280372214194982
Energy: 1.2002256878263542
Energy: 1.198356522413194
Energy: 1.2002256878263542
Energy: 1.0287905502936012
Energy: 1.0313503965199189
Energy: 1.0302593943549865
Energy: 1.0313503965199189
Energy: 1.0300588407882707
Energy: 1.065294823042917
Energy: 1.030092662262399
Energy: 1.065294823042917
Energy: 1.0343745681521386
Energy: 1.064309532749036
Energy: 1.035426728001468
Energy: 1.064309532749036
Energy: 1.0320710699339275
Energy: 1.0301980591110862
Energy: 1.01869180810554
Energy: 1.0301980591110862
Energy: 1.1456420623135872
Energy: 1.0301669509350257
Energy: 1.030405366069844
Energy: 1.0301669509350257
Energy: 1.2358558360173175
Energy: 1.0304678962619396
Energy: 1.0296146241941244
Energy: 1.0304678962608065
Energy: 1.0778748844677315
Energy: 1.0298818156694938
Energy: 1.0319363175615497
Energy: 1.0298818156694938
Energy: 1.049567498955134
Energy: 1.0657985367759766
Energy: 1.155702530328041
Energy: 1.0657985367759766
Energy: 1.049409141189543
Energy: 1.0660978406266837
Energy: 1.0695027261436227
Energy: 1.0660978406266837
Energy: 1.0470987178609223
Energy: 1.0501216681022538
Energy: 1.1063974757484445
Energy: 1.0501216681022538
Energy: 1.0459891966116615
Energy: 1.0501624574091604
Energy: 1.1076963316080892
Energy: 1.0501624574080273
Energy: 1.0464186175079047
Energy: 1.0676254920336141
Energy: 1.1573205641415216
Energy: 1.0676254920336141
Energy: 1.0794284829131113
Energy: 1.0666097460534032
Energy: 1.1539782685302993
Energy: 1.0666097460534032
Energy: 1.0780647595366275
Energy: 1.0303221701008949
Energy: 1.0288824016848719
Energy: 1.0303221701008949
Energy: 1.1543751914183278
Energy: 1.030056802402173
Energy: 1.0333606873843695
Energy: 1.030056802402173
Energy: 1.145621285518058
Energy: 1.031050695935966
Energy: 1.0298854393077685
Energy: 1.031050695934833
Energy: 1.0340136323261253
Energy: 1.0317058786060331
Energy: 1.0289981838601705
Energy: 1.0317058786049005
Energy: 1.198371750909817
Energy: 1.1970555269289411
Energy: 1.028384011289915
Energy: 1.197055526927808
Energy: 1.029596391297651
Energy: 1.1165163242431453
Energy: 1.0298184179648775
Energy: 1.1165163242431453
Energy: 1.0183219918902218
Energy: 1.029302365545511
Energy: 1.0311423784182472
Energy: 1.0293023655466438

minimum gb energy = 1.0183219918902218 eV
minimum distance =  2.29090876656701 Angstroms
sigma value = 37


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

Energy: 1.52999944156753
Energy: 1.0099595572972133
Energy: 1.1468685261197362
Energy: 1.1474151717368444
Energy: 0.9724987057788453
Energy: 0.992986852803751
Energy: 0.9941798910971069
Energy: 0.9929868528041276
Energy: 0.9928956556979135
Energy: 0.9930504582275738
Energy: 0.9945090935921668
Energy: 0.9930504582279504
Energy: 0.9908499748203657
Energy: 0.9927746229382677
Energy: 1.0032055626031018
Energy: 0.9927746229380685
Energy: 0.983760121862343
Energy: 0.9828466163014932
Energy: 0.9826751685404039
Energy: 0.9828466163018698
Energy: 1.0723768784118302
Energy: 1.0061465212622256
Energy: 0.9831105662697094
Energy: 1.006146521263001
Energy: 1.0638165639544293
Energy: 1.0046066807512777
Energy: 0.98252667528079
Energy: 1.0046066807516767
Energy: 1.0307847435684974
Energy: 1.0316565426399862
Energy: 0.983330305426138
Energy: 1.0316565426399862
Energy: 1.0279089769662846
Energy: 0.985642479598833
Energy: 1.029654408210374
Energy: 0.9856424795986336
Energy: 1.0299007102790678
Energy: 0.9849939982285655
Energy: 1.0295424078370035
Energy: 0.9849939982289643
Energy: 1.0283177076313712
Energy: 1.0792024528262263
Energy: 1.0309758262137225
Energy: 1.0792024528264257
Energy: 0.9829786211821889
Energy: 1.0054569385992609
Energy: 1.0707866530918313
Energy: 1.0054569385988623
Energy: 0.9831084566254708
Energy: 1.0055319666284503
Energy: 1.0532962436386792
Energy: 1.0055319666280516
Energy: 0.9831561675979603
Energy: 1.0711308122777956
Energy: 0.9924733327686914
Energy: 1.0711308122776184
Energy: 0.9792946022224737
Energy: 1.0019040381565842
Energy: 0.9921313583201485
Energy: 1.0019040381567836
Energy: 0.9782423308815358
Energy: 0.9927463315540432
Energy: 0.9926236553500576
Energy: 0.9927463315540432
Energy: 0.983123959632219
Energy: 0.9830995336320099
Energy: 0.9929411313110077
Energy: 0.9830995336323866
Energy: 1.1455974904219106
Energy: 1.146014519215211
Energy: 0.9864844905229933
Energy: 1.1460145192148343
Energy: 0.992522942584984
Energy: 0.9936193349813159
Energy: 0.9867345263448989
Energy: 0.9936193349809394
Energy: 0.992668224012663
Energy: 0.9926943559472277
Energy: 0.9924023887932298
Energy: 0.992694355947427

minimum gb energy = 0.9724987057788453 eV
minimum distance =  2.29384214539021 Angstroms
sigma value = 25


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

Energy: 1.1394577233715169
Energy: 0.9492679552191168
Energy: 1.0531751876852755
Energy: 1.0530136437503905
Energy: 0.9110008085417286
Energy: 0.9564921238378942
Energy: 0.9328465390229959
Energy: 0.9564921238363722
Energy: 0.9318245689833776
Energy: 0.9547258941850061
Energy: 0.9062381495139823
Energy: 0.9547258941850061
Energy: 0.9311856100749681
Energy: 0.9503785780361695
Energy: 0.9106281651712645
Energy: 0.9503785780361695
Energy: 0.9110773653371492
Energy: 0.918986937218301
Energy: 0.9102394119390821
Energy: 0.918986937218301
Energy: 0.9110345705174843
Energy: 0.9304473934311361
Energy: 0.9104445666527167
Energy: 0.9304473934311361
Energy: 0.9108311237992208
Energy: 0.9292521874579601
Energy: 0.9120461475053367
Energy: 0.9292521874579601
Energy: 0.9424715421349199
Energy: 0.9366654646155802
Energy: 0.9102030524250352
Energy: 0.9366654646155802
Energy: 0.921119123401978
Energy: 0.8970894573792796
Energy: 0.9114046308190353
Energy: 0.8970894573777576
Energy: 0.9214893268977616
Energy: 0.8969584693440166
Energy: 0.9365755681822228
Energy: 0.8969584693440166
Energy: 0.920871036258168
Energy: 0.92544803493533
Energy: 0.9656807986851821
Energy: 0.92544803493533
Energy: 0.9313493323425549
Energy: 0.8856639718377183
Energy: 0.9319901794620867
Energy: 0.8856639718361962
Energy: 0.9554004780224487
Energy: 0.8863856893792659
Energy: 0.931266467435238
Energy: 0.8863856893792659
Energy: 0.9651626698371402
Energy: 0.9118461460523761
Energy: 0.9163332119499381
Energy: 0.9118461460523761
Energy: 0.9115322011077005
Energy: 0.89746250743872
Energy: 0.9214512322195921
Energy: 0.89746250743872
Energy: 0.9110968163765782
Energy: 0.8970336111460157
Energy: 0.9234058227658777
Energy: 0.8970336111460157
Energy: 0.9105579429035867
Energy: 0.9197033058527803
Energy: 0.9413558603587159
Energy: 0.9197033058527803
Energy: 0.9107831920116781
Energy: 0.9293917630433713
Energy: 0.9083290806315842
Energy: 0.9293917630433713
Energy: 0.9105910367564246
Energy: 0.9316976989402154
Energy: 0.9119085085500964
Energy: 0.9316976989402154
Energy: 0.9098050440226462
Energy: 0.9352056926454546
Energy: 0.9317591860781281
Energy: 0.9352056926454546
Energy: 0.9084689412112864
Energy: 0.9542637106721945
Energy: 0.9323616734913308
Energy: 0.9542637106721945
Energy: 0.9097433474614993
Energy: 0.9535364232585225
Energy: 0.9318767175924212
Energy: 0.9535364232600447
Energy: 0.9101960276878012
Energy: 0.9317363963808194
Energy: 1.0261051404857688
Energy: 0.9317363963823415
Energy: 1.053110841080159
Energy: 1.0524684495635117
Energy: 0.9062190466636009
Energy: 1.0524684495635117
Energy: 0.9322201283391651
Energy: 0.932678714937931
Energy: 0.9326525569050229
Energy: 0.932678714937931
Energy: 0.9041915743305293
Energy: 0.9322223864421918
Energy: 0.9320617638168393
Energy: 0.9322223864452359

minimum gb energy = 0.8856639718361962 eV
minimum distance =  2.30152592801965 Angstroms
sigma value = 41


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

Energy: 1.0377613833120183
Energy: 0.8914067492632708
Energy: 0.9755430680062785
Energy: 0.9754932092317503
Energy: 0.8570633476578512
Energy: 0.8934199045773686
Energy: 0.8762156550897607
Energy: 0.8934199045761207
Energy: 0.8757128907293963
Energy: 0.892921882834502
Energy: 0.8465327947089302
Energy: 0.892921882834502
Energy: 0.8760380674406204
Energy: 0.890976586912954
Energy: 0.8550064972927134
Energy: 0.890976586912954
Energy: 0.8543011584647976
Energy: 0.8606743164270911
Energy: 0.8546984158039335
Energy: 0.8606743164270911
Energy: 0.8779964510885299
Energy: 0.8697442798446748
Energy: 0.8528850788410193
Energy: 0.8697442798459227
Energy: 0.85761938262141
Energy: 0.8686618282713002
Energy: 0.8540811992249634
Energy: 0.8686618282713002
Energy: 0.8751299241363266
Energy: 0.876460797811989
Energy: 0.8532388600163385
Energy: 0.8764607978094933
Energy: 0.8566969705749522
Energy: 0.8359016506205321
Energy: 0.8461864218288743
Energy: 0.8359016506205321
Energy: 0.8560958852932061
Energy: 0.835799679510685
Energy: 0.8462104533013477
Energy: 0.835799679510685
Energy: 0.8550934054286093
Energy: 0.8728033121740518
Energy: 0.9010107745522783
Energy: 0.8728033121752997
Energy: 0.8540998496201391
Energy: 0.8176431173053786
Energy: 0.8765917291152336
Energy: 0.8176431173041308
Energy: 0.8777645403856931
Energy: 0.8166251343936888
Energy: 0.8777032322640801
Energy: 0.8166251343936888
Energy: 0.8951333015887148
Energy: 0.8113968796643409
Energy: 0.8612873550887339
Energy: 0.8113968796643409
Energy: 0.858627915968246
Energy: 0.8100668832410735
Energy: 0.8594426313068158
Energy: 0.8100668832410735
Energy: 0.8577516200993192
Energy: 0.8102814313050184
Energy: 0.878238105131405
Energy: 0.8102814313050184
Energy: 0.8586323248710545
Energy: 0.8165999361388918
Energy: 0.8952156303085529
Energy: 0.8165999361388918
Energy: 0.8632763350637148
Energy: 0.816812922583207
Energy: 0.8543745809518668
Energy: 0.816812922583207
Energy: 0.8825378638168351
Energy: 0.8161883832734333
Energy: 0.8540773668647066
Energy: 0.8161883832734333
Energy: 0.8970436199689314
Energy: 0.8365036475889932
Energy: 0.8570446077588667
Energy: 0.8365036475877452
Energy: 0.8539767617327096
Energy: 0.8365540493636074
Energy: 0.856006655873512
Energy: 0.8365540493623594
Energy: 0.8547046395609023
Energy: 0.8366908382979471
Energy: 0.8564261678851669
Energy: 0.836690838299195
Energy: 0.8555788253154789
Energy: 0.8582877388022054
Energy: 0.8556489774345672
Energy: 0.8582877388022054
Energy: 0.854522237682561
Energy: 0.8686855892048435
Energy: 0.8509440607649159
Energy: 0.8686855892048435
Energy: 0.8533633807358575
Energy: 0.8609104878123831
Energy: 0.8541078537220168
Energy: 0.8609104878123831
Energy: 0.8543410958974802
Energy: 0.8927252180156723
Energy: 0.8781363120457708
Energy: 0.8927252180169202
Energy: 0.8529286654418924
Energy: 0.8910522228972564
Energy: 0.8762346538797403
Energy: 0.8910522228972564
Energy: 0.8536521793350964
Energy: 0.8761312439642577
Energy: 0.8760021813108927
Energy: 0.8761312439642577
Energy: 0.8792086845482591
Energy: 0.8904537383275117
Energy: 0.8508690259064187
Energy: 0.8904537383275117
Energy: 0.875524683502709
Energy: 0.8907660988755497
Energy: 0.8507799058729895
Energy: 0.8907660988755497
Energy: 0.8766578193267929
Energy: 0.8786453645238615
Energy: 0.8758348567167272
Energy: 0.8786453645238615
Energy: 0.8461177670053015
Energy: 0.8913705125931385
Energy: 0.8791651074264072
Energy: 0.8913705125943864

minimum gb energy = 0.8100668832410735 eV
minimum distance =  2.31744215912067 Angstroms
sigma value = 15


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

Energy: 0.9585138565483791
Energy: 0.8399266282107974
Energy: 0.9104976428233038
Energy: 0.9096350381981443
Energy: 0.8090747181811149
Energy: 0.840999954024383
Energy: 0.8259879095786303
Energy: 0.840999954024383
Energy: 0.8253682643400638
Energy: 0.8395371846923044
Energy: 0.7979143034335666
Energy: 0.8395371846912474
Energy: 0.8258112766340091
Energy: 0.8381617259523535
Energy: 0.8079953286028233
Energy: 0.8381617259512963
Energy: 0.8053821745609303
Energy: 0.810244881027494
Energy: 0.8041496327447296
Energy: 0.8102448810264368
Energy: 0.8060683178825471
Energy: 0.8175718746523306
Energy: 0.8040847496312346
Energy: 0.8175718746512735
Energy: 0.7960937816968309
Energy: 0.8178525235582564
Energy: 0.8044396805489656
Energy: 0.8178525235571993
Energy: 0.8034992593575797
Energy: 0.8032736427943828
Energy: 0.805053122672874
Energy: 0.8032736427933257
Energy: 0.8058764448611981
Energy: 0.7870791237558566
Energy: 0.797701285549704
Energy: 0.7870791237537905
Energy: 0.8029417052943174
Energy: 0.7870831697415539
Energy: 0.8189637450361378
Energy: 0.7870831697404967
Energy: 0.805042930703017
Energy: 0.7677934517313341
Energy: 0.8248079439662321
Energy: 0.7677934517313341
Energy: 0.8060210410746785
Energy: 0.7666001781036536
Energy: 0.8164799322204738
Energy: 0.7666001781015394
Energy: 0.8385177369350694
Energy: 0.7664934795313876
Energy: 0.8162649132973316
Energy: 0.7664934795313876
Energy: 0.8399768070523462
Energy: 0.7540460702512962
Energy: 0.8078390703397814
Energy: 0.7540460702523534
Energy: 0.8229897797025987
Energy: 0.7552434324013126
Energy: 0.8079672236801866
Energy: 0.7552434324013126
Energy: 0.8145129844575094
Energy: 0.7555100814377612
Energy: 0.8377974511587575
Energy: 0.7555100814367041
Energy: 0.8159722365985669
Energy: 0.7499700379309093
Energy: 0.8399560531973125
Energy: 0.7499700379298522
Energy: 0.8136999056210953
Energy: 0.7506191460413144
Energy: 0.8109966140045545
Energy: 0.7506191460423716
Energy: 0.8408785926908936
Energy: 0.7500751148735756
Energy: 0.8099600966054085
Energy: 0.7500751148746327
Energy: 0.8382262914995859
Energy: 0.7536613667443698
Energy: 0.8131497775784734
Energy: 0.7536613667433126
Energy: 0.8085737747005662
Energy: 0.7555190903321152
Energy: 0.8212450706700273
Energy: 0.7555190903300008
Energy: 0.807500214661952
Energy: 0.7538789648061728
Energy: 0.8389967173986566
Energy: 0.7538789648051156
Energy: 0.8164673953918602
Energy: 0.7664668172562787
Energy: 0.8387175256193692
Energy: 0.7664668172562787
Energy: 0.8171552677027102
Energy: 0.7662204798730234
Energy: 0.803293353578818
Energy: 0.7662204798719663
Energy: 0.8471945281619557
Energy: 0.7664296860056358
Energy: 0.8048195329852439
Energy: 0.7664296860045786
Energy: 0.8252186744243495
Energy: 0.7869233283427163
Energy: 0.8029382149778744
Energy: 0.7869233283427163
Energy: 0.8022403895686586
Energy: 0.7872042596750958
Energy: 0.8047551600148876
Energy: 0.7872042596750958
Energy: 0.8048839848906333
Energy: 0.8457858975007948
Energy: 0.8030368904215051
Energy: 0.8457858975007948
Energy: 0.8046084978515341
Energy: 0.8176343101807803
Energy: 0.8021481781203667
Energy: 0.8176343101797231
Energy: 0.8112188519329551
Energy: 0.8179593639465652
Energy: 0.8019390271391235
Energy: 0.817959363945508
Energy: 0.8048743220917017
Energy: 0.810820194830648
Energy: 0.8024565066858984
Energy: 0.8108201948317052
Energy: 0.801594193315356
Energy: 0.8377931442680655
Energy: 0.8258559214702735
Energy: 0.8377931442691225
Energy: 0.8028110202764313
Energy: 0.8396328708277022
Energy: 0.8256372060881274
Energy: 0.8396328708266451
Energy: 0.8046323484992739
Energy: 0.8214034719875684
Energy: 0.8266659311408175
Energy: 0.8214034719886256
Energy: 0.9102045531473205
Energy: 0.9109666668406273
Energy: 0.8055172912878293
Energy: 0.9109666668395702
Energy: 0.8255420895299928
Energy: 0.8401217509716273
Energy: 0.8035925281937886
Energy: 0.8401217509705703
Energy: 0.7966757460607646
Energy: 0.8399419232578338
Energy: 0.826061449328303
Energy: 0.8399419232567766

minimum gb energy = 0.7499700379298522 eV
minimum distance =  2.31855113202496 Angstroms
sigma value = 85


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

Energy: 0.93193059819714
Energy: 0.7292645007096623
Energy: 0.8110823714550335
Energy: 0.8108020417828012
Energy: 0.7105140086000263
Energy: 0.742318634566071
Energy: 0.7181251593585727
Energy: 0.7423186345669877
Energy: 0.7303889979463434
Energy: 0.741522147153493
Energy: 0.7195782285204442
Energy: 0.741522147153493
Energy: 0.7301778751277893
Energy: 0.7401691503875114
Energy: 0.6972430837243504
Energy: 0.7401691503875114
Energy: 0.7191241753173399
Energy: 0.7204913321634513
Energy: 0.718307061425329
Energy: 0.7204913321643682
Energy: 0.7614138394619052
Energy: 0.7256951322073407
Energy: 0.7182286655408593
Energy: 0.7256951322073407
Energy: 0.6993507928917738
Energy: 0.725389084248834
Energy: 0.7178504403072401
Energy: 0.7253890842479169
Energy: 0.7246671666656903
Energy: 0.737876121520629
Energy: 0.7391848724914908
Energy: 0.737876121520629
Energy: 0.7244713110652752
Energy: 0.7052338648430388
Energy: 0.7400498744723991
Energy: 0.7052338648430388
Energy: 0.7246472648282742
Energy: 0.70521631399842
Energy: 0.7632644679327317
Energy: 0.70521631399842
Energy: 0.7244280544211453
Energy: 0.6952983662163409
Energy: 0.7619513604205665
Energy: 0.6952983662163409
Energy: 0.7265028742017492
Energy: 0.6934755811532877
Energy: 0.7434169948863822
Energy: 0.6934755811542045
Energy: 0.7685915628856463
Energy: 0.6937122145174873
Energy: 0.7432081081070849
Energy: 0.6937122145174873
Energy: 0.7696418731400665
Energy: 0.6891823626962227
Energy: 0.7438215648201971
Energy: 0.6891823626962227
Energy: 0.7678011048084986
Energy: 0.6878645650072235
Energy: 0.7448916181178845
Energy: 0.6878645650072235
Energy: 0.7532093116782472
Energy: 0.6886646063180174
Energy: 0.7741303172039226
Energy: 0.6886646063180174
Energy: 0.7520918138627153
Energy: 0.6866945183599249
Energy: 0.7743379135035034
Energy: 0.6866945183590081
Energy: 0.7520140636955736
Energy: 0.6862133851135283
Energy: 0.758328518548868
Energy: 0.6862133851135283
Energy: 0.7774058031549581
Energy: 0.6867409274327991
Energy: 0.7597758144020023
Energy: 0.686740927433716
Energy: 0.7773888611217693
Energy: 0.6858282096148485
Energy: 0.7585899723745784
Energy: 0.6858282096157445
Energy: 0.7586257513193625
Energy: 0.6855786752760943
Energy: 0.7596073780513842
Energy: 0.6855786752770111
Energy: 0.7582369466058404
Energy: 0.6865466315701788
Energy: 0.7784474403543763
Energy: 0.6865466315710956
Energy: 0.758148734603073
Energy: 0.6861199221916382
Energy: 0.7774612214205608
Energy: 0.6861199221916382
Energy: 0.7587878092618997
Energy: 0.6857123485331368
Energy: 0.7521838689172305
Energy: 0.6857123485331368
Energy: 0.7750507293570309
Energy: 0.6876452327960284
Energy: 0.7519850615618769
Energy: 0.6876452327969453
Energy: 0.7742720407605371
Energy: 0.6881049515293428
Energy: 0.7679957198442442
Energy: 0.688104951528426
Energy: 0.7437292744505798
Energy: 0.6879533805087122
Energy: 0.7671331629914343
Energy: 0.6879533805087122
Energy: 0.7440128008258019
Energy: 0.7428517075138382
Energy: 0.7686277403644868
Energy: 0.7428517075138382
Energy: 0.7460101037425908
Energy: 0.6935615221190071
Energy: 0.7522937525388853
Energy: 0.6935615221199238
Energy: 0.7440124813539235
Energy: 0.6937993903337255
Energy: 0.7523968986033033
Energy: 0.6937993903337255
Energy: 0.7621564125685489
Energy: 0.7246473036972073
Energy: 0.7253225099293333
Energy: 0.7246473036981242
Energy: 0.7140918486083521
Energy: 0.7049933351568911
Energy: 0.7244622783525057
Energy: 0.7049933351559741
Energy: 0.7630690027335866
Energy: 0.7055707551174266
Energy: 0.7246342056175683
Energy: 0.7055707551174266
Energy: 0.7185516913771781
Energy: 0.718291837616266
Energy: 0.7248973763880405
Energy: 0.7182918376153492
Energy: 0.7183326727266881
Energy: 0.7253345703066103
Energy: 0.7147356653032994
Energy: 0.7253345703066103
Energy: 0.7183890405622745
Energy: 0.7262381461861339
Energy: 0.7246825486568301
Energy: 0.7262381461861339
Energy: 0.7143209841458684
Energy: 0.730461302916545
Energy: 0.7189507424177615
Energy: 0.7304613029156282
Energy: 0.7095032713724239
Energy: 0.7402452147255798
Energy: 0.7318047472401642
Energy: 0.7402452147255798
Energy: 0.7183570458599459
Energy: 0.7414816594285177
Energy: 0.7308586988945837
Energy: 0.7414816594285177
Energy: 0.718264267563742
Energy: 0.7299715377101724
Energy: 0.7086874995733824
Energy: 0.7299715377092555
Energy: 0.7302985237411976
Energy: 0.7402702550378375
Energy: 0.7108315169286682
Energy: 0.7402702550369208
Energy: 0.7310419266597292
Energy: 0.742034965763649
Energy: 0.7310549947655972
Energy: 0.742034965763649
Energy: 0.7180292439621998
Energy: 0.7407391116322458
Energy: 0.7303695438771101
Energy: 0.7407391116322458

minimum gb energy = 0.6855786752760943 eV
minimum distance =  2.31289919328301 Angstroms
sigma value = 113


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

Energy: 0.014841846189204637
Energy: 0.015047529240083502
Energy: 0.6908137450963706
Energy: 0.10593800081247055
Energy: 0.015767767205820737
Energy: 0.10564474638483586
Energy: 0.09157223725775353
Energy: 0.10564474638483586
Energy: 0.08846453392544108
Energy: 0.10660633121413933
Energy: 0.015541717990665362
Energy: 0.10660633121484418
Energy: 0.0885932039561357
Energy: 0.10733965613981698
Energy: 0.016383169282600852
Energy: 0.10733965614052184
Energy: 0.08969591482769002
Energy: 0.1057529910048216
Energy: 0.08952471530810069
Energy: 0.1057529910048216
Energy: 0.015325174851965318
Energy: 0.10642037049999242
Energy: 0.08843682228254819
Energy: 0.10642037049999242

minimum gb energy = 0.014841846189204637 eV
minimum distance =  2.45656216259393 Angstroms
sigma value = 1