Model name: model_name=EAM_Dynamo_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.658364850282671
cohesive_energy=4.002359338939786
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.015087045545329131
Energy: 0.015963804404189246
Energy: 0.015546881587419492
Energy: 0.015963804404189246
Energy: 0.015963804404189246
Energy: 1.0704112403073944
Energy: 0.01596380440480168
Energy: 1.070411240308007
Energy: 0.015546881585616212
Energy: 0.015963804403576812
Energy: 0.015087045545329131
Energy: 0.015963804404189246
Energy: 0.015963804403576812
Energy: 1.070411240308007
Energy: 0.015963804403576812
Energy: 1.070411240308007

minimum gb energy = 0.015087045545329131 eV
minimum distance =  2.4999225099237 Angstroms
sigma value = 1


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

Energy: -2.9300682383735057
Energy: 0.6859226583636868
Energy: 0.18148728984156887
Energy: 0.6859226583644297
Energy: -2.425832158655861
Energy: -2.136583560564126
Energy: -2.5786426693683944
Energy: -2.0925628273069057
Energy: -2.0110249970342973
Energy: 0.6551969854376682
Energy: -2.1903664636766145
Energy: 0.6551969854369255
Energy: -2.1210091554399573
Energy: 0.6167574392648566
Energy: -2.3818305128412183
Energy: 0.6167574392648566
Energy: -2.019811872890007
Energy: 0.6772179616727123
Energy: -2.259827249672157
Energy: 0.6772179616727123
Energy: -2.5690807519173737
Energy: 0.847041279597754
Energy: -2.2619467907072885
Energy: 0.8470412795947829
Energy: -2.5160737498548844
Energy: 0.6458780590910909
Energy: -2.4872346003843875
Energy: 0.6458780592002079
Energy: -2.1896350066521433
Energy: 0.6753039519558058
Energy: -1.6910645014476016
Energy: 0.6753039519550631
Energy: -2.4035218020468943
Energy: -2.377312319597274
Energy: -2.2128139810376246
Energy: -2.322860953014105
Energy: -2.2039675045950298
Energy: 0.6684328506622446
Energy: 0.13024378230476333
Energy: 0.6684328506615017
Energy: -2.3300367093683674
Energy: -2.3158083571000216
Energy: -2.277750664166574
Energy: -2.3182886533584823
Energy: -2.0074346068923354
Energy: 0.6852109067563983
Energy: -2.3389605984374744
Energy: 0.6852109067549129
Energy: -2.410510921879032
Energy: 0.6554975125132193
Energy: -2.4600712304296595
Energy: 0.6554975125109911
Energy: -2.504425877447895
Energy: 0.6634412775459879
Energy: -1.9742802287143137
Energy: 0.6634412775459879
Energy: -2.3194919591511787
Energy: 0.6772673983787986
Energy: -2.3942114584585985
Energy: 0.6772673983780558
Energy: -1.9775361850246018
Energy: 0.6815008162220102
Energy: -2.496587926088369
Energy: 0.6815008162242384
Energy: -2.482142667861997
Energy: 0.6542571855361446
Energy: -2.1192768656040593
Energy: 0.6542571855354018
Energy: -2.5131415500685894
Energy: -1.8600184315236656
Energy: -2.582827390030914
Energy: -1.8600111700382953
Energy: -2.2897832884409857
Energy: 0.6867499282185103
Energy: -2.527339280157809
Energy: 0.6867499282185103
Energy: -2.541002081461056
Energy: -2.328842387022453
Energy: -2.3227965716328973
Energy: -2.26244049362331
Energy: -2.265992579818359
Energy: 0.6541473521859591
Energy: -2.0112559302073856
Energy: 0.6541473521859591
Energy: -2.4674333425724995
Energy: -2.729222410632849
Energy: -2.1559826772019206
Energy: -2.682424454549528
Energy: -2.298683931152984
Energy: 0.6764685191002066
Energy: -2.2454896280840915
Energy: 0.6764685191002066
Energy: -2.0439246690676223
Energy: 0.6553333036606381
Energy: -2.6204474266139623
Energy: 0.6553333036598953
Energy: -2.394209203033709
Energy: 0.8492567466385592
Energy: -2.431544498989551
Energy: 0.8492567466407874
Energy: -2.0574635259060483
Energy: 0.6752405196863999
Energy: -2.454450842319172
Energy: 0.6752405196863999
Energy: -2.1375747299349652
Energy: 0.8323394895467295
Energy: -2.5128100296840796
Energy: 0.8323394895474724
Energy: -1.9068743894306721
Energy: 0.6665631082314233
Energy: -2.3391822753897595
Energy: 0.666563108232166
Energy: -2.581031448659532
Energy: -2.0551550565149728
Energy: -1.9394674966825092
Energy: -2.164506811747017
Energy: -2.667949815049081
Energy: 0.6863504896341913
Energy: -1.9409327093321407
Energy: 0.6863504896349342
Energy: -2.5835504334669657
Energy: 0.6700115609529351
Energy: -2.7371019671965233
Energy: 0.6700115609544206
Energy: -1.8784306428987338
Energy: 0.6585880582048872
Energy: -2.5023472495308434
Energy: 0.6585880582034017
Energy: -2.0817967623301423
Energy: 0.6877900041180255
Energy: -2.260620810475472
Energy: 0.6877900041180255

minimum gb energy = -2.9300682383735057 eV
minimum distance =  2.23878800516306 Angstroms
sigma value = 1


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

Energy: -2.125118831657455
Energy: 0.7597414932382925
Energy: 0.31342831743796346
Energy: 0.7597414932365988
Energy: -1.7257344958566798
Energy: 0.6674085358660896
Energy: -1.5969900124443783
Energy: 0.6674085358686302
Energy: -1.4522000354232611
Energy: 0.7618167100718057
Energy: -1.9300942893730988
Energy: 0.7618167100751931
Energy: -1.6839262645109818
Energy: 0.7454196197252205
Energy: -1.879300836409149
Energy: 0.7454196197235653
Energy: -1.6752731300770258
Energy: 0.7332113249417782
Energy: -1.8106669816325267
Energy: 0.7332113249468593
Energy: -1.947666742357252
Energy: 0.7335063036213887
Energy: -1.6215689098901558
Energy: 0.7335063036163074
Energy: -1.7058352086738695
Energy: -1.9152386463358593
Energy: -1.655685668732153
Energy: -1.9615387732482248
Energy: 0.23089806164783216
Energy: 0.7617850566089999
Energy: -1.5658401925676133
Energy: 0.7617850566123873
Energy: -1.8217837451837213
Energy: -1.50929651333337
Energy: -2.04987501919642
Energy: -1.6490818287548117
Energy: -1.649297769309936
Energy: 0.7623269172780959
Energy: 0.26557360536489066
Energy: 0.7623269172806365
Energy: -1.7301344501047586
Energy: 0.6616353761639399
Energy: -2.1745216112841264
Energy: 0.6616353761588587
Energy: -1.7236634797552655
Energy: 0.7472746759149057
Energy: -1.8443176508468506
Energy: 0.7472746759174462
Energy: -2.0035033327851783
Energy: 0.7363674041362501
Energy: -1.7143442281731345
Energy: 0.7363674041345565
Energy: -2.0359811797979375
Energy: 0.7359452145399169
Energy: -1.7547323700075972
Energy: 0.7359452145348356
Energy: -1.4446442602526208
Energy: 0.7475458680792246
Energy: -1.8117680497135107
Energy: 0.747545868084306
Energy: -1.6701828168397401
Energy: 0.665134903601391
Energy: -1.6989459390477175
Energy: 0.665134903601391
Energy: -1.6384763824574977
Energy: 0.7614459565432592
Energy: 0.2903000975118735
Energy: 0.7614459565500341
Energy: -1.7273932798573084
Energy: -1.6660932208293944
Energy: -1.9927865319686182
Energy: -1.6456732125979525
Energy: -1.392044885437091
Energy: 0.7614381918789377
Energy: -1.586415723550027
Energy: 0.761438191883172
Energy: -1.7273339993831778
Energy: -1.7718617332716324
Energy: -1.9830129265369485
Energy: -1.6898901346904218
Energy: -1.9037385070378492
Energy: 0.7330163612219093
Energy: -1.5934367124389925
Energy: 0.7330163612185218
Energy: -1.6246968970772286
Energy: 0.733477549582793
Energy: -1.7501024601370871
Energy: 0.7334775495794055
Energy: -1.7067968724174205
Energy: 0.7430631632659794
Energy: -1.6857542888613237
Energy: 0.7430631632668262
Energy: -1.3468488643618481
Energy: 0.7615582784051784
Energy: -1.671047394152687
Energy: 0.7615582784043317
Energy: -1.555487785470847
Energy: 0.6737419584932646
Energy: -1.6851374370008516
Energy: 0.6737419584932646
Energy: -1.8371045041918763
Energy: 0.7597414932374456
Energy: 0.33198500952424087
Energy: 0.7597414932365988
Energy: -1.8137486322997354
Energy: 0.6674085358677834
Energy: -1.687398822708795
Energy: 0.6674085358643959
Energy: -1.4093977324176192
Energy: 0.7618167100726525
Energy: -1.7766621228712975
Energy: 0.7618167100743464
Energy: -1.8036160015560563
Energy: 0.7454196197252205
Energy: -1.8818267794952994
Energy: 0.7454196197235653

minimum gb energy = -2.1745216112841264 eV
minimum distance =  2.23479931348646 Angstroms
sigma value = 25


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

Energy: -1.518782960310645
Energy: 0.8192949699603124
Energy: -0.910175328786917
Energy: 0.8192949699612968
Energy: -1.2246079883871677
Energy: 0.6326091602617062
Energy: -1.3246172408668526
Energy: 0.6326091603276204
Energy: -0.8688143013038324
Energy: 0.8610591377420554
Energy: -1.1562706763016188
Energy: 0.8610591377420554
Energy: -0.9310296727138325
Energy: 0.8501151037359644
Energy: -1.0673992217047665
Energy: 0.85011510373498
Energy: -1.1724710548738446
Energy: 0.8326206411938855
Energy: -1.0014866564769982
Energy: 0.832620641190932
Energy: -1.5358125403472207
Energy: 0.8629461370281848
Energy: -1.1512179393659154
Energy: 0.8629461370291693
Energy: -1.5707046391823862
Energy: -0.9748760631169588
Energy: -1.3953035421041535
Energy: -0.9396537291669881
Energy: -1.5870899345973937
Energy: 0.8208132388230122
Energy: -1.120440376598274
Energy: 0.8208132388230122
Energy: -1.3582685167095605
Energy: 0.7412477963857246
Energy: -1.1128146096191824
Energy: 0.7412477963857246
Energy: -0.9801435739604236
Energy: 0.8632772043984228
Energy: -0.9915623654380087
Energy: 0.8632772043974384
Energy: -0.99166750111343
Energy: 0.8388518725695178
Energy: -1.2942881049082506
Energy: 0.8388518725675488
Energy: -1.2772094262125127
Energy: 0.828033078445715
Energy: -1.1633108052729415
Energy: 0.8280330784447305
Energy: -1.1061191494537814
Energy: 0.8413210383833063
Energy: -0.8890387696415635
Energy: 0.8413210383842907
Energy: -1.4296631646927345
Energy: 0.6128599542488504
Energy: -1.1087335274420316
Energy: 0.6128599542262525
Energy: 0.3309403847026599
Energy: 0.826249358470614
Energy: -1.254336745909376
Energy: 0.8262493584696295
Energy: -1.579530125194242
Energy: -1.439037607121516
Energy: -1.0349779199420575
Energy: -1.1987774973450966
Energy: 0.3440740050237335
Energy: 0.8611041942758589
Energy: 0.35316374992510574
Energy: 0.8611041942768434
Energy: -1.0094054226084634
Energy: -1.0425881708716664
Energy: -0.9551613342513394
Energy: -1.0836901296228258
Energy: -1.0013586689600134
Energy: 0.839385432846355
Energy: -1.1409717401798407
Energy: 0.8393854328473395
Energy: -1.1518127591516392
Energy: 0.8630416562893425
Energy: -1.1845011034894966
Energy: 0.8630416562893425
Energy: -1.3519118009863662
Energy: 0.8168331406934191
Energy: -1.4693471101045006
Energy: 0.8168331406924346
Energy: -1.4781172768326238
Energy: 0.8194842486157629
Energy: -1.320525752131472
Energy: 0.8194842486147784
Energy: -1.3783802324507077
Energy: 0.8195171820854458
Energy: -1.3643094209466042
Energy: 0.8195171820864303
Energy: -0.8614773778640565
Energy: 0.8607654165972508
Energy: -0.9769839724723662
Energy: 0.8607654165972508
Energy: -1.3287789515016908
Energy: -1.3075410076785423
Energy: -1.0707796404891539
Energy: -1.067684870573276

minimum gb energy = -1.5870899345973937 eV
minimum distance =  2.16217601707154 Angstroms
sigma value = 9


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

Energy: -0.331869514282424
Energy: 0.9518428483263709
Energy: -0.42674220656668654
Energy: 0.9518428483240221
Energy: -0.6669083931978401
Energy: 0.7787341592512219
Energy: -0.4206834139342031
Energy: 0.7787341594507887
Energy: -0.1884644962089976
Energy: 0.9611715342636655
Energy: -0.42287655086870474
Energy: 0.9611715342613169
Energy: -0.7381170075714245
Energy: 0.9808979256392286
Energy: -0.4746608557991859
Energy: 0.9808979256392286
Energy: -0.8097488440215045
Energy: 0.7791302124528358
Energy: -0.7399469712984166
Energy: 0.7791302124434406
Energy: 0.48559310444493003
Energy: 0.9560852582328422
Energy: -0.6063953854783196
Energy: 0.9560852582316678
Energy: -0.890658562673492
Energy: -0.3287251600517469
Energy: -0.5441714794081928
Energy: -0.37526974721287965
Energy: -0.587604622723135
Energy: 0.9548694783219647
Energy: -0.4517204003113129
Energy: 0.954869478323139
Energy: -0.9406763397189699
Energy: 0.7762941262726609
Energy: -0.34766789100695467
Energy: 0.7762941255577759
Energy: -0.7951196865923696
Energy: 0.9535598902714231
Energy: -0.5603753105669227
Energy: 0.9535598902702488
Energy: -0.3860619083754924
Energy: 0.9273358834247647
Energy: -0.36204694388870634
Energy: 0.9273358834224159
Energy: -0.6384220125301925
Energy: 0.7573528102613232
Energy: -0.5911432250083695
Energy: 0.7573528106557591
Energy: -0.34100905353703154
Energy: 0.9555060928303978
Energy: 0.48204806112240417
Energy: 0.9555060928315721
Energy: -0.7070096869817809
Energy: 0.7065578748434334
Energy: -0.3604778985355389
Energy: 0.7065578758494612
Energy: -0.34426020574778243
Energy: 0.9555281250015443
Energy: -0.7286906428395811
Energy: 0.9555281250050675
Energy: -0.8002573362004205
Energy: -0.4850906948110521
Energy: -0.6130838006077964
Energy: -0.6391601770588675
Energy: -0.4783057269408887
Energy: 0.9269462859958986
Energy: -0.3480296402449299
Energy: 0.9269462859947242
Energy: -0.8649389331649285
Energy: 0.9544733874590344
Energy: -0.4764299803540222
Energy: 0.9544733874578599
Energy: -0.7371134677484734
Energy: 0.7771638938814871
Energy: -0.712371347777739
Energy: 0.7771638939155446
Energy: -0.6001260530008411
Energy: 0.955253491287841
Energy: -0.5454897313732402
Energy: 0.9552534912843178
Energy: -0.9864373486002389
Energy: -0.3297022502591206
Energy: -0.4706054043649614
Energy: -0.2897890704432148

minimum gb energy = -0.9864373486002389 eV
minimum distance =  2.18155484470157 Angstroms
sigma value = 25


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

Energy: 0.7757854112855168
Energy: 1.027875423072044
Energy: 0.5643700246592351
Energy: 1.027875423072044
Energy: 0.7405580003746881
Energy: 0.9058955767555583
Energy: 0.7077677015723901
Energy: 0.9058955767555583
Energy: 0.6018461498320126
Energy: 1.0994586529937942
Energy: 0.7141226595332778
Energy: 1.0994586529908894
Energy: 0.7680880274230191
Energy: 1.0198300882611415
Energy: 0.5791262423645375
Energy: 1.0198300882596891
Energy: 0.5950350070034064
Energy: 0.7416714504208141
Energy: 0.7454309111931559
Energy: 0.7416714504237188
Energy: 0.7113470439353536
Energy: 1.090619430193716
Energy: 0.7182833893852183
Energy: 1.090619430193716
Energy: 0.7333017819907662
Energy: 0.8772906895136428
Energy: 0.7134722740044861
Energy: 0.8772906895136428
Energy: 0.5876072239017542
Energy: 1.0283697054531233
Energy: 0.7775140024774698
Energy: 1.028369705451671
Energy: 0.713606349045422
Energy: 0.904767421264857
Energy: 0.7411946253238564
Energy: 0.904767421264857
Energy: 0.6480756800793223
Energy: 0.9367240082665054
Energy: 0.7130122907132027
Energy: 0.9367240082665054
Energy: 0.7125717776738408
Energy: 1.0277073506247196
Energy: -0.5472816378135755
Energy: 1.0277073506247196
Energy: 0.7085743066231782
Energy: 0.836175467170694
Energy: 0.5974996023625839
Energy: 0.8361754672766836
Energy: 0.6180336878060334
Energy: 1.0838525310524363
Energy: 0.7109607059687203
Energy: 1.0838525310524363
Energy: 0.7131835697644008
Energy: 0.882197750919632
Energy: 0.8124964250524883
Energy: 0.882197750919632
Energy: 0.7436892314705883
Energy: 1.0267639786843625
Energy: 0.5838757253081377
Energy: 1.0267639786843625
Energy: 0.7440478504912568
Energy: 0.9370113877236701
Energy: 0.71234009536689
Energy: 0.9370113877222177
Energy: 0.7137430658738622
Energy: 0.7540107364044364
Energy: 0.6209417785989901
Energy: 0.7540107364044364

minimum gb energy = -0.5472816378135755 eV
minimum distance =  2.34059388783992 Angstroms
sigma value = 17


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

Energy: 0.838552143836709
Energy: 1.0336238326798228
Energy: -0.04335994353955908
Energy: 1.0336238326798228
Energy: 0.7323191023981149
Energy: 0.7284490698545663
Energy: 0.7226284053439763
Energy: 0.7284490698545663
Energy: 0.6759836378230772
Energy: 1.0546284943743647
Energy: 0.7210914256009253
Energy: 1.054628494373542
Energy: 0.7203136062710661
Energy: 1.0087068726028272
Energy: 0.6796922502171359
Energy: 1.0087068725888437
Energy: 0.760951891085771
Energy: 0.9068873517844841
Energy: 0.7175313592057695
Energy: 0.9068873517844841
Energy: 0.7872678009070803
Energy: 1.0260881652171492
Energy: 0.5826504406353307
Energy: 1.0260881652187943
Energy: 0.7253215439473675
Energy: 0.8270897053933093
Energy: 0.6886956499878357
Energy: 0.8270897053924867
Energy: 0.623389033281473
Energy: 1.1022292528262532
Energy: 0.7891422228270127
Energy: 1.1022292528262532
Energy: 0.7531643620973756
Energy: 1.0167286986701645
Energy: 0.6239231952302149
Energy: 1.016728698670987
Energy: 0.6676595525374199
Energy: 0.9117846621073542
Energy: 0.7207138358658299
Energy: 0.9117846621073542
Energy: 0.7593059241832084
Energy: 1.0137691298409208
Energy: 0.6296147421302808
Energy: 1.013769129838453
Energy: 0.7749581091402015
Energy: 0.8818148743584053
Energy: 0.78711834688012
Energy: 0.8818148743592279
Energy: 0.6502626752032058
Energy: 1.0128335119598573
Energy: 0.8252184083677478
Energy: 1.0128335119598573
Energy: 0.7590837289578702
Energy: 1.0260630689651131
Energy: 0.7279048343512351
Energy: 1.0260630689659356
Energy: 0.6981359916089059
Energy: 0.8139597304115649
Energy: 0.7568755215017957
Energy: 0.8139597304123874
Energy: 0.642840485400908
Energy: 1.0705735516507282
Energy: 0.6495797754268146
Energy: 1.0705735516515509
Energy: 0.7205647161374671
Energy: 0.8753950986487686
Energy: 0.6951746475794841
Energy: 0.8753950986397205
Energy: 0.5354812829803342
Energy: 1.00439233030295
Energy: 0.7869488901613678
Energy: 1.0043923303037725
Energy: 0.7974671765279627
Energy: 0.9603880036008663
Energy: 0.8233389206526648
Energy: 0.9603880036000437
Energy: 0.7282525502435454
Energy: 1.0130632855460606
Energy: 0.727201239479434
Energy: 1.013063285545238
Energy: 0.6040037716193956
Energy: 0.9776230010305007
Energy: 0.7209291416938683
Energy: 0.9776230010305007
Energy: 0.7555767265047367
Energy: 0.6382806204878393
Energy: 0.6536261526214167
Energy: 0.6382806204886619
Energy: 0.698635884454722
Energy: 1.0007969926451088
Energy: 0.7628879322257177
Energy: 1.0007969926492215
Energy: 0.8095386859709222
Energy: 0.8481856808307554
Energy: 0.705895802159086
Energy: 0.8481856808307554
Energy: 0.814302831323371
Energy: 1.0424949012500824
Energy: 0.6780895947109283
Energy: 1.0424949012484372
Energy: 0.27530967467691
Energy: 1.0049819100597353
Energy: 0.7632084598229943
Energy: 1.0049819100572677
Energy: 0.6934532977180722
Energy: 0.8232283396062823
Energy: 0.6932462214204319
Energy: 0.8232283396260235
Energy: 0.5685188888120118
Energy: 0.9836874720624518
Energy: 0.7217905532065759
Energy: 0.9836874720599842
Energy: 0.6928634567451178
Energy: 0.8572491350810152
Energy: 0.7245963331318006
Energy: 0.8572491349881045
Energy: 0.7891450230069121
Energy: 0.9810341531802547
Energy: 0.6032910651291818
Energy: 0.9810341531810771

minimum gb energy = -0.04335994353955908 eV
minimum distance =  2.26182115959159 Angstroms
sigma value = 53


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

Energy: 0.8628739048499913
Energy: 0.8676582117854064
Energy: 0.7219389165405583
Energy: 0.8676582117873
Energy: 0.8189370229559512
Energy: 0.8090129147825121
Energy: 0.6410519839506817
Energy: 0.8090129147806185
Energy: 0.8244905242930605
Energy: 1.000291140116533
Energy: 0.8544175557215195
Energy: 1.0002911401032777
Energy: 0.8242143115826619
Energy: 1.0047911529712004
Energy: 0.7736240531649945
Energy: 1.0047911529712004
Energy: 0.8189996439222337
Energy: 0.8088320463753589
Energy: 0.6756394600824006
Energy: 0.808832046293975
Energy: 0.8628739048499913
Energy: 0.8676582117854064
Energy: 0.5174248607398484
Energy: 0.8676582117854064
Energy: 0.8189370229465259
Energy: 0.8090129147825121
Energy: 0.7178608791403334
Energy: 0.8090129147825121
Energy: 0.8244905242930605
Energy: 1.0002911401032777
Energy: 0.8544175557196259
Energy: 1.0002911400994903
Energy: 0.8242143115826619
Energy: 1.0047911529712004
Energy: 0.7368814884588326
Energy: 1.0047911529693065
Energy: 0.8189993261836345
Energy: 0.8088320462220592
Energy: 0.7217559724672624
Energy: 0.8088320462258466
Energy: 0.8628739048499913
Energy: 0.8676582117854064
Energy: 0.6444731520943116
Energy: 0.8676582117854064
Energy: 0.81893702295027
Energy: 0.8090129147825121
Energy: 0.7178608791403334
Energy: 0.8090129147825121
Energy: 0.824490524291167
Energy: 1.0002911400994903
Energy: 0.8544175557215195
Energy: 1.0002911401032777

minimum gb energy = 0.5174248607398484 eV
minimum distance =  2.29627665308715 Angstroms
sigma value = 9


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

Energy: 0.9196030780744997
Energy: 1.0304414636905417
Energy: -0.888517292080959
Energy: 1.030441463689841
Energy: 0.6996856737388115
Energy: 0.6958900784915231
Energy: 0.6289661884006438
Energy: 0.6958900784908223
Energy: 0.642181894830439
Energy: 0.984956377757543
Energy: 0.6091963468293897
Energy: 0.9849563777610473
Energy: 0.6336961315736226
Energy: 0.8611719161558968
Energy: 0.7489643273340704
Energy: 0.8611719161608029
Energy: 0.6503797179506471
Energy: 0.6893784890319703
Energy: 0.7178063061839423
Energy: 0.689378489029167
Energy: 0.9065340226989853
Energy: 0.7082393154318545
Energy: 0.6024550539578637
Energy: 0.7082393154283502
Energy: 0.6551979934645009
Energy: 0.6588344877373052
Energy: 0.718612984290056
Energy: 0.6588344877169799
Energy: 0.8002084419706874
Energy: 1.0401365548712063
Energy: 0.6468130160749406
Energy: 1.0401365548705055
Energy: 0.6604324548789057
Energy: 0.8759462580246045
Energy: 0.83054420984937
Energy: 0.8759462667297533
Energy: 0.6625072453524158
Energy: 0.7643107905832627
Energy: 0.7110820948440882
Energy: 0.7643107906315592
Energy: 0.7493161584162978
Energy: 1.048522764463122
Energy: 0.5611783978705523
Energy: 1.0485227644652246
Energy: 0.6351785590559362
Energy: 1.0468430669355897
Energy: 0.7373706776481813
Energy: 1.0468430669355897
Energy: 0.7243434052090875
Energy: 1.0280789790943312
Energy: 0.6599870064761679
Energy: 1.0280789791034424
Energy: 0.6406747592487749
Energy: 1.0501263987733613
Energy: 0.9186236407641969
Energy: 1.0501263987740623
Energy: 0.6886817213352725
Energy: 0.8958012312647807
Energy: 0.6507382937116707
Energy: 0.8957913839379893
Energy: 0.7248453152556688
Energy: 1.0049923108696401
Energy: 0.6272250191137893
Energy: 1.0049923108647338
Energy: 0.6905370907257307
Energy: 0.9101392864081039
Energy: 0.6881745883828675
Energy: 0.9101392864060012
Energy: 0.7508889972138512
Energy: 0.6690545982566228
Energy: 0.6908052735786431
Energy: 0.6690545982545201
Energy: 0.668221430122083
Energy: 0.8896044337845985
Energy: 0.9070149456413334
Energy: 0.8896044337334984
Energy: 0.6008481390425585
Energy: 0.7944825529201195
Energy: 0.7161143560683098
Energy: 0.7944825529215213
Energy: 0.6436821800859013
Energy: 1.029694138324363
Energy: 0.6401749859646014
Energy: 1.0296941383215594
Energy: 0.745739559296167
Energy: 0.7923195237897013
Energy: 0.6617444889767036
Energy: 0.7923195238422028
Energy: 0.8272135513398458
Energy: 0.8936119657208649
Energy: 0.6603469941649812
Energy: 0.8936119657048086
Energy: 0.07194593500857624
Energy: 1.052450816398429
Energy: 0.8257221836148881
Energy: 1.052450816397728
Energy: 0.7312292067666571
Energy: 0.7486259590672849
Energy: 0.680965618214214
Energy: 0.7486259590644814
Energy: 0.6780301916494494
Energy: 0.9421111145697719
Energy: 0.7077089149411219
Energy: 0.9421111145396341
Energy: 0.6530471324346122
Energy: 0.9084141656591586
Energy: 0.6322326369831124
Energy: 0.9084141656058924
Energy: 0.9049408778531223
Energy: 0.8584425557234519
Energy: 0.6340476945833983
Energy: 0.8584425557290589
Energy: 0.6594455642599223
Energy: 0.9834181195622821
Energy: 0.713027000728051
Energy: 0.9834181195629829
Energy: 0.7274107091814174
Energy: 0.735471735698118
Energy: 0.7233905571981464
Energy: 0.7354717352483493
Energy: 0.683867030677949
Energy: 1.046609841156451
Energy: 0.8259089434585851
Energy: 1.0466098411557498
Energy: 0.6995104159822177
Energy: 0.6703400265240368
Energy: 0.6602483280300266
Energy: 0.6703400265247378
Energy: 0.6584837209855918
Energy: 0.7940386200363461
Energy: 0.6547136067630506
Energy: 0.7940386200363461
Energy: 0.6395987801814534
Energy: 1.0377603510822977
Energy: 0.6334174257380228
Energy: 1.0377603511040245
Energy: 0.6527716566509459
Energy: 0.7154537392474102
Energy: 0.6829013460774446
Energy: 0.715453739248812

minimum gb energy = -0.888517292080959 eV
minimum distance =  2.29658519264017 Angstroms
sigma value = 73


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

Energy: 0.9384036989287635
Energy: 0.88409822025207
Energy: 0.45764097778848184
Energy: 0.8840982027215372
Energy: 0.8237168697951015
Energy: 0.7799272267628983
Energy: 0.8445447014141547
Energy: 0.7799272267684331
Energy: 0.7512239187852071
Energy: 0.9230720358573294
Energy: 0.8050883385746465
Energy: 0.9230720358506574
Energy: 0.7155824726140608
Energy: 0.8828706310831549
Energy: 0.8138713620464916
Energy: 0.882870631072035
Energy: 0.6420905375056696
Energy: 0.778696950806805
Energy: 0.6805830295027341
Energy: 0.778696950807917
Energy: 0.8423678113940365
Energy: 0.9226407015214887
Energy: 0.4912133275139261
Energy: 0.922640701657101
Energy: 0.7240369382930223
Energy: 0.6627878191171748
Energy: 0.7770619647973668
Energy: 0.6627878191171748
Energy: 0.803839397367848
Energy: 0.9261724343016503
Energy: 0.5944889027537916
Energy: 0.9261724125173996
Energy: 0.6932114103080316
Energy: 0.711254498961337
Energy: 0.9199358088041658
Energy: 0.711254498963561
Energy: 0.7361150500281294
Energy: 0.744728621689887
Energy: 0.7489912829898379
Energy: 0.744728621687663
Energy: 0.7629879264270923
Energy: 0.853477094179954
Energy: 0.6373692987514898
Energy: 0.8534770939343052
Energy: 0.7346890461781997
Energy: 0.862950972237842
Energy: 0.707752386030159
Energy: 0.8629509796026319
Energy: 0.8444061078909468
Energy: 0.6929239185009983
Energy: 0.6333366625138095
Energy: 0.6929239185021103
Energy: 0.05172956229416634
Energy: 1.0348700817968701
Energy: 0.8425300531455542
Energy: 1.0348700804364002
Energy: 0.7800273338723274
Energy: 0.8051083574775348
Energy: 0.7402953740683719
Energy: 0.8051083574764228
Energy: 0.6216138488054418
Energy: 0.9220590448674799
Energy: 0.8039203692335606
Energy: 0.9220590448563599
Energy: 0.8193262564438364
Energy: 0.9231232571086071
Energy: 0.7520432120493127
Energy: 0.9231232575787769
Energy: 0.9318203419649707
Energy: 0.8625769454516288
Energy: 0.7487457163357781
Energy: 0.8625769453749267
Energy: 0.6375112150304107
Energy: 0.8612729984442684
Energy: 0.8041549715658429
Energy: 0.861272979593272
Energy: 0.8232453672516539
Energy: 0.9261123143557699
Energy: 0.778972401124881
Energy: 0.9261123141790392
Energy: 0.6338611868111818
Energy: 0.9388601277848873
Energy: 0.8416508545088995
Energy: 0.9388601277848873
Energy: 0.8147720153088145
Energy: 0.7553370285078826
Energy: 0.681788846700274
Energy: 0.7553370285056586

minimum gb energy = 0.05172956229416634 eV
minimum distance =  2.2620870677071 Angstroms
sigma value = 7


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

Energy: 0.9359732628306031
Energy: 0.6062337005494166
Energy: -0.044491215061703164
Energy: 0.6062337005502031
Energy: 0.4310273836137936
Energy: 0.6957637820040152
Energy: 0.7498836658133525
Energy: 0.6957637819882893
Energy: 0.7231787306257279
Energy: 0.804651159077397
Energy: 0.6607241564692808
Energy: 0.8046511590789696
Energy: 0.17092441271313982
Energy: 0.6534297155116771
Energy: 0.8578712565241883
Energy: 0.6534297155093182
Energy: 0.7228591661903517
Energy: 0.640987263615777
Energy: 0.7435764239979473
Energy: 0.6409872636212812
Energy: 0.826053462037685
Energy: 0.8524127403070717
Energy: 0.17067399604289057
Energy: 0.8524127403840931
Energy: 0.6270658764003602
Energy: 0.9765887689235315
Energy: 0.6572613237833429
Energy: 0.9765887686916815
Energy: 0.8258089098362481
Energy: 0.6338085819005336
Energy: 0.2910697765845184
Energy: 0.6338085818966019
Energy: 0.7098736847518613
Energy: 0.8373355929919136
Energy: 0.8427345693910574
Energy: 0.8373355930335515
Energy: 0.7207352210050768
Energy: 0.6846363138093002
Energy: 0.655574773520714
Energy: 0.684636313806155
Energy: 0.6050093970518088
Energy: 0.6461825339156974
Energy: 0.6552157385797275
Energy: 0.64618253305431
Energy: 0.6144283381324415
Energy: 0.8019791884559898
Energy: 0.36165352303041776
Energy: 0.801979188459135
Energy: 0.7922325733569906
Energy: 0.8652712893683644
Energy: 0.3268897624230399
Energy: 0.8652712893267264
Energy: 0.6230466339617503
Energy: 0.9930342320304927
Energy: 0.6390930254889683
Energy: 0.9930342320108708
Energy: 0.6226876199034308
Energy: 0.6813497690081275
Energy: 0.7478541260777546
Energy: 0.6813497690128453
Energy: -0.07387652094843773
Energy: 0.9213978088281336
Energy: 0.8418097368682722
Energy: 0.9213978088304925
Energy: 0.6230282991691253
Energy: 0.6579145270322094
Energy: 0.6687687777897491
Energy: 0.6579145270298505
Energy: 0.6570798824241781
Energy: 0.7802710677030269
Energy: 0.35298726413064213
Energy: 0.7802710677022405
Energy: 0.8223133925853542
Energy: 0.851661384125902
Energy: 0.3567533255526351
Energy: 0.851661384243775
Energy: 0.7212066013292463
Energy: 0.6532525601731857
Energy: 0.41812705604428296
Energy: 0.6532525601685035
Energy: 0.14189473646472467
Energy: 0.9199974636768969
Energy: 0.8427357981838844
Energy: 0.9199974637311157
Energy: 0.7206328236687175
Energy: 0.8445432472694205
Energy: 0.4376559081655961
Energy: 0.8445432472340729
Energy: 0.6492045051920823
Energy: 0.8367204994772037
Energy: 0.7494835782067267
Energy: 0.8367204994732722
Energy: 0.9370395253221945
Energy: 0.6194786008279356
Energy: 0.08524069060245969
Energy: 0.6194786008208589
Energy: 0.7871747608424747
Energy: 0.7384053112760122
Energy: 0.7278775495503564
Energy: 0.7384053112760122
Energy: 0.627747710027957
Energy: 0.6556033796437456
Energy: 0.6628813691705314
Energy: 0.6556033889257927
Energy: 0.7233123483980705
Energy: 0.7996734776054606
Energy: 0.6532068295232534
Energy: 0.7996734776046741
Energy: -0.036379847640059464
Energy: 0.6517873964786066
Energy: 0.8575343609481986
Energy: 0.651787396474675
Energy: 0.8253870814050761
Energy: 1.0090278001814637
Energy: 0.015379010357545535
Energy: 1.0090278001893267
Energy: 0.8323782216089397
Energy: 1.1670692901599178
Energy: 0.8438152737758267
Energy: 1.1670692901536275
Energy: 0.8254347376040692
Energy: 1.0093704755498563
Energy: 0.022797440023568927
Energy: 1.009370475551429

minimum gb energy = -0.07387652094843773 eV
minimum distance =  2.24157582369339 Angstroms
sigma value = 29


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

Energy: 0.6929632928750361
Energy: 0.8647464521230875
Energy: 0.6326851725375794
Energy: 0.8647464521238789
Energy: 0.6304277753584427
Energy: 0.7075736668564725
Energy: 0.831660664320796
Energy: 0.7075730649825521
Energy: 0.7743937642545571
Energy: 0.8373571877228467
Energy: 0.6313477262086469
Energy: 0.8373571877220555
Energy: 0.8329158011362415
Energy: 1.0999794516318322
Energy: 0.8337791235209121
Energy: 1.0999794516321062
Energy: 0.8332981490899286
Energy: 0.7867476560732767
Energy: 0.6171200062011507
Energy: 0.7867476560740982
Energy: 0.5827305237135507
Energy: 0.9798533330435442
Energy: 0.5821512992924782
Energy: 0.9798533330438179
Energy: 0.7751178697196567
Energy: 0.7867537435974206
Energy: 0.8331106701016667
Energy: 0.7867537435958076
Energy: 0.8301387041088985
Energy: 1.0994214611279287
Energy: 0.8297580249992724
Energy: 1.0994214611273807
Energy: 0.6312195844551707
Energy: 0.8373792651642222
Energy: 0.6332716026656898
Energy: 0.8373792651652874

minimum gb energy = 0.5821512992924782 eV
minimum distance =  2.32976721463525 Angstroms
sigma value = 5


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

Energy: 0.5899683304454006
Energy: 0.5164396855470085
Energy: -0.42602366460999075
Energy: 0.5164396855455231
Energy: 0.5433460846067042
Energy: 0.9609323683433147
Energy: 0.5070341734017665
Energy: 0.9609323683789331
Energy: 0.5607651571118276
Energy: 0.4530857095841719
Energy: 0.6466863731101693
Energy: 0.45308570958714284
Energy: 0.1751835784929697
Energy: 0.7853903956143966
Energy: 0.5546936917820376
Energy: 0.7853903956529521
Energy: 0.5757371936446881
Energy: 0.7374074886372889
Energy: 0.7290058281872323
Energy: 0.7374074884324244
Energy: 0.17106111078172156
Energy: 0.5338422355419101
Energy: 0.482075016322179
Energy: 0.5338422355433956
Energy: 0.5521020219811329
Energy: 0.5993464940243883
Energy: 0.21985895409621992
Energy: 0.5993464940214173
Energy: 0.5436346775948999
Energy: 0.8671998977439601
Energy: 0.5306472640183264
Energy: 0.8671998977016232
Energy: 0.6028631124497087
Energy: 0.7412666547740181
Energy: 0.5093541964275521
Energy: 0.7412666548802316
Energy: 0.5518804649255966
Energy: 0.6025554986102425
Energy: 0.13165589411557319
Energy: 0.6025554986109853
Energy: -0.29521437120798355
Energy: 0.7204284439834223
Energy: 0.5594987527118027
Energy: 0.7204284554805382
Energy: 0.5523214956540632
Energy: 0.9089390421261501
Energy: 0.5433055158579352
Energy: 0.9089390421268928
Energy: 0.20428819812106103
Energy: 0.5225328327400396
Energy: 0.6805667221029242
Energy: 0.5225328327400396
Energy: 0.5664803134455922
Energy: 0.6797839814767991
Energy: 0.78426439464636
Energy: 0.6797839810774013
Energy: 0.5642756977443799
Energy: 0.7425219093958707
Energy: 0.5590555252415441
Energy: 0.7425218800776512
Energy: 0.5290442387276129
Energy: 0.4176862843518017
Energy: 0.11881386488190769
Energy: 0.4176862843518017
Energy: 0.4895979115602474
Energy: 0.7516854056548992
Energy: 0.5588042690284609
Energy: 0.7516854055116156
Energy: 0.5807918923523632
Energy: 0.5184744985606881
Energy: 0.12787193057223123
Energy: 0.5184744985614308
Energy: 0.39983283686681753
Energy: 0.5613017620594066
Energy: 0.5226674611713075
Energy: 0.5613017620571784
Energy: 0.5450016444251224
Energy: 0.7595685124801637
Energy: 0.437769729884429
Energy: 0.7595587089127791
Energy: 0.5088484634142431
Energy: 0.7792048411806412
Energy: 0.5513722740549698
Energy: 0.7792045102744414
Energy: 0.6015262377474018
Energy: 0.5616674049345366
Energy: 0.5693718065181327
Energy: 0.5616674049427071
Energy: 0.5317977680916808
Energy: 0.6970814130785592
Energy: 0.5092909156544412
Energy: 0.6970814131408828
Energy: 0.5351361239190221
Energy: 0.8838044945355025
Energy: 0.5460693324028376
Energy: 0.8838044713110514
Energy: 0.6060648061375099
Energy: 0.5635306691466855
Energy: 0.5644884707599986
Energy: 0.5635306691459426
Energy: 0.612378609747175
Energy: 0.6987280032220888
Energy: 0.5751277699824633
Energy: 0.6987280032220888
Energy: 0.522786739788049
Energy: 0.7723440385888655
Energy: 0.5320330814059725
Energy: 0.772344038542815
Energy: 0.021021045092310578
Energy: 0.9631136199267887
Energy: 0.5292384356443894
Energy: 0.963113620648473
Energy: 0.5493008211994405
Energy: 0.9164380516350181
Energy: 0.6791870998352801
Energy: 0.9164380547390774
Energy: 0.2840509182612075
Energy: 0.8708581614847942
Energy: 0.5642479298251943
Energy: 0.8708581614862797
Energy: 0.5241694515518789
Energy: 0.5137959944633745
Energy: 0.30206564469649283
Energy: 0.5137959944611462
Energy: 0.6232298941015506
Energy: 0.8705670832430316
Energy: 0.552504077407079
Energy: 0.8705670832430316
Energy: 0.5274614327561223
Energy: 0.9496831932067379
Energy: 0.22466630791565842
Energy: 0.9496831765489855

minimum gb energy = -0.42602366460999075 eV
minimum distance =  2.18670304916788 Angstroms
sigma value = 1


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

Energy: 0.6409514465863297
Energy: 0.5267914041947607
Energy: 0.30563380090261977
Energy: 0.5267914042029764
Energy: 0.6492265256624706
Energy: 1.1123006837655571
Energy: 0.5097600613039324
Energy: 1.1123006837706921
Energy: 0.43435890923830345
Energy: 0.5234750244681634
Energy: 0.4863314251981179
Energy: 0.5234750244671365
Energy: 0.46201981606758113
Energy: 0.7297213704110186
Energy: 0.5386084414655612
Energy: 0.7297213704551786
Energy: 0.37108728374079364
Energy: 0.9129244345960134
Energy: 0.7613328659935853
Energy: 0.9129244345939593
Energy: 0.4275175505854691
Energy: 0.8034150347351796
Energy: 0.5387873932525528
Energy: 0.8034155298755251
Energy: 0.41832647398517436
Energy: 0.6448697614294157
Energy: 0.4596924479306832
Energy: 0.6448697614242809
Energy: 0.4128333685106281
Energy: 0.8561676870299256
Energy: 0.4831946002831555
Energy: 0.8561676870391217
Energy: 0.5114988692354774
Energy: 0.8323545904821604
Energy: 0.472512029221951
Energy: 0.8323545903456191
Energy: 0.5131309923179603
Energy: 0.864689144919041
Energy: 0.4450766860512152
Energy: 0.86468914491596
Energy: 0.41049080061219867
Energy: 0.8480569396966937
Energy: 0.4483282410449857
Energy: 0.8480569394944728
Energy: 0.419729197599055
Energy: 0.5905096750987108
Energy: 0.4164530605509887
Energy: 0.5905096751058996
Energy: 0.4306904865738308
Energy: 0.8129811152754961
Energy: 0.5382600933502014
Energy: 0.8129808956821584
Energy: 0.41881228646508545
Energy: 0.9054577359948595
Energy: 0.619088870040161
Energy: 0.905457735993879
Energy: 0.4623439487116007
Energy: 0.7249986059055593
Energy: 0.5393669915706497
Energy: 0.7249986059035053
Energy: 0.4396695648945718
Energy: 0.5234714014784345
Energy: 0.48315847183900196
Energy: 0.5234714014897314
Energy: 0.6474280478732674
Energy: 1.121814297964605
Energy: 0.5089853452255059
Energy: 1.1218142979625978
Energy: 0.6409514942877268
Energy: 0.5267914042040034
Energy: 0.2479765691606088
Energy: 0.5267914042101653
Energy: 0.6492265256634977
Energy: 1.1123006837665839
Energy: 0.5097600613100942
Energy: 1.112300683769665
Energy: 0.43435890923933046
Energy: 0.5234750244640556
Energy: 0.48625830134313913
Energy: 0.5234750244661095
Energy: 0.46201981606963505
Energy: 0.7297213704531247
Energy: 0.5386084414655612
Energy: 0.7297213704418278
Energy: 0.3710872837418206
Energy: 0.9129244345949864
Energy: 0.7613328659935853
Energy: 0.9129244345939593
Energy: 0.4275175505844422
Energy: 0.8033961970747354
Energy: 0.538787393504022
Energy: 0.8033868826350357
Energy: 0.418326473999552
Energy: 0.6448697614242809
Energy: 0.4596924479276022
Energy: 0.644869761419146

minimum gb energy = 0.2479765691606088 eV
minimum distance =  2.28025379506462 Angstroms
sigma value = 17


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

Energy: 0.5442159959765809
Energy: 0.20986690138333125
Energy: -0.32137530660389274
Energy: 0.2098669013598454
Energy: 0.21121602531514114
Energy: 0.2523511725383903
Energy: 0.21004238795339283
Energy: 0.6551345976467879
Energy: 0.1569782899282976
Energy: 0.09203516969998868
Energy: 0.17664571148002808
Energy: 0.09203516847485664
Energy: -0.1392854066136561
Energy: 0.742374735393761
Energy: 0.03112274427622111
Energy: 0.7423747354159774
Energy: -0.01661319336193875
Energy: 0.6881274022255907
Energy: 0.316335018098307
Energy: 0.6881275009208803
Energy: -0.16879827314677223
Energy: 0.8729841743545441
Energy: 0.18074005125799472
Energy: 0.8729841737689552
Energy: 0.09595282738790943
Energy: 0.30366205382983896
Energy: 0.4031941454861863
Energy: 0.3541660168422464
Energy: -0.03430711650952406
Energy: 0.4588891522306008
Energy: -0.07369048025237476
Energy: 0.45888915101620187
Energy: 0.04240087903003742
Energy: 0.5309583172413829
Energy: 0.17622839393681045
Energy: 0.5309583172597907
Energy: 0.04224326852708402
Energy: 0.37118354728503744
Energy: 0.11714058292390266
Energy: 0.37253298976485505
Energy: 0.08651941496472733
Energy: 0.8511924858248804
Energy: -0.027419426455688185
Energy: 0.8511924858236108
Energy: 0.11943059038334794
Energy: 0.20949538053484448
Energy: -0.009901188004076718
Energy: 0.2094942483238515
Energy: -0.1664801170388044
Energy: 0.7436684609392582
Energy: 0.13257689347025028
Energy: 0.7436685072265253
Energy: -0.04192345520375506
Energy: 0.649075777165109
Energy: 0.19599880599670136
Energy: 0.6490757809852865
Energy: -0.06482914407345253
Energy: 0.8600305833263999
Energy: 0.23253832357363224
Energy: 0.8600305731120614
Energy: 0.13774659750133678
Energy: 0.1907556642878591
Energy: 0.3592462974722452
Energy: 0.19152554636913885
Energy: 0.0360286149502425
Energy: 0.553763482369448
Energy: 0.12718221910050231
Energy: 0.5537634823738337
Energy: 0.25351052218050696
Energy: 0.23960388936618712
Energy: -0.147050086360343
Energy: 0.2396038893503183
Energy: 0.31945794331899335
Energy: 1.0708408122974333
Energy: 0.13394470467121414
Energy: 1.0708408122942592
Energy: 0.4120938333684124
Energy: 0.052386036584509625
Energy: -0.28306485111161134
Energy: 0.0523860365902224
Energy: 0.24158672213874818
Energy: 0.7896708754268428
Energy: 0.21640519533864652
Energy: 0.7896708754268428
Energy: 0.18103325832626607
Energy: 0.9328178795262494
Energy: 0.21327963757925436
Energy: 0.9328178794938771
Energy: -0.039199461140872305
Energy: 0.7625512395099895
Energy: 0.18417661745900873
Energy: 0.7625512393000016
Energy: 0.18609637714252383
Energy: 0.7933810377003212
Energy: 0.2604381735815763
Energy: 0.793381037679432
Energy: -0.21777575521236306
Energy: 0.2424250697268755
Energy: 0.07012695558158198
Energy: 0.24242506331551844
Energy: 0.2537076117078467
Energy: 0.3617906899382228
Energy: 0.009780450178004564
Energy: 0.36179068995091784
Energy: 0.1477698022983059
Energy: 0.21738432065675853
Energy: 0.1970051254431149
Energy: 0.2008833309594363
Energy: 0.1772332704271332
Energy: 0.8318193781284575
Energy: -0.0352739758001774
Energy: 0.8318193781227448
Energy: 0.1639998929793163
Energy: 0.5518182721132078
Energy: -0.03396236950643772
Energy: 0.5049949008333847
Energy: 0.2665298443287977
Energy: 0.8720086429235183
Energy: -0.0931382587489914
Energy: 0.8720086429133621
Energy: 0.038389556585015784
Energy: 0.28081274951750645
Energy: 0.1467289276135751
Energy: 0.2808213155482641
Energy: -0.01213197996697911
Energy: 0.7503981466785975
Energy: 0.10497502019340828
Energy: 0.7504577785427086
Energy: 0.1488851729062632
Energy: 0.7725274612173451
Energy: 0.29401384043732937
Energy: 0.7725274612991705
Energy: -0.08924941903158452
Energy: 0.6406752842589365
Energy: 0.15627140116398922
Energy: 0.6406752840051504
Energy: -0.03764899351199732
Energy: 0.17790403509436048
Energy: 0.028980821734231766
Energy: 0.17790403486400264
Energy: 0.04725076639120115
Energy: 0.8026976662254987
Energy: 0.10975591329109766
Energy: 0.8026976662261333
Energy: 0.21165258776155957
Energy: 0.8076849945334832
Energy: -0.1716550813461422
Energy: 0.8076850123342232
Energy: 0.3471729695853882
Energy: 0.8891466803817974
Energy: 0.21031630758489794
Energy: 0.8891466804052832

minimum gb energy = -0.32137530660389274 eV
minimum distance =  2.19321224025117 Angstroms
sigma value = 89


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

Energy: 0.5448244875948117
Energy: 0.4089802792624821
Energy: 0.4913777157526893
Energy: 0.4089802792624821
Energy: 0.39583943443142633
Energy: 0.4798354935058467
Energy: 0.3909740897306909
Energy: 0.4798354934875774
Energy: 0.37468377785237506
Energy: 0.9449982805263164
Energy: 0.48446906577848853
Energy: 0.9449982805263164
Energy: 0.12325533616737229
Energy: 0.46844626826816843
Energy: 0.3783585893287241
Energy: 0.4684462682665076
Energy: 0.3968374861754778
Energy: 0.8991902241761739
Energy: 0.5986906684709982
Energy: 0.899190224174513
Energy: 0.3955699989949037
Energy: 0.40661059901688273
Energy: 0.3914506468229226
Energy: 0.4066106008280315
Energy: 0.38357101870411986
Energy: 0.5879742578447664
Energy: 0.41366786864169847
Energy: 0.5879742578447664
Energy: -0.06998161614943695
Energy: 0.5850101112149217
Energy: 0.408414000750237
Energy: 0.5850101054709733
Energy: 0.3991057810307318
Energy: 0.41912789621271107
Energy: 0.1996814466846251
Energy: 0.4191278902081236
Energy: 0.455930456768508
Energy: 0.43860477291764577
Energy: 0.3941236455321687
Energy: 0.4386047351518981
Energy: 0.3900724230903738
Energy: 0.5371071144587392
Energy: 0.42850020743167
Energy: 0.5371071144537566
Energy: 0.39148983208319243
Energy: 0.6213695283373908
Energy: 0.3766430878052787
Energy: 0.6213695283373908
Energy: 0.4285404366491353
Energy: 0.872724469498047
Energy: -0.04570142491219987
Energy: 0.872724469498047
Energy: 0.39492104537410283
Energy: 0.4796458003579704
Energy: 0.39378671894979334
Energy: 0.4796458003579704
Energy: 0.13912460698379067
Energy: 0.8791330027019544
Energy: 0.3967684728758872
Energy: 0.8791330027019544

minimum gb energy = -0.06998161614943695 eV
minimum distance =  2.19928496739886 Angstroms
sigma value = 13


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

Energy: 0.46166384213530826
Energy: 0.8230332541417698
Energy: -0.611591977786218
Energy: 0.8230332541911942
Energy: 0.05542093298972481
Energy: 0.8497326892169758
Energy: -0.24830366479338417
Energy: 0.8497326892225449
Energy: 0.4268714603515923
Energy: 0.8308807221641267
Energy: -0.42484913583377354
Energy: 0.8308807220639486
Energy: -0.34083964464994704
Energy: 0.8603047799647734
Energy: -0.4894634006778558
Energy: 0.8603047799926182
Energy: -0.3238820949450239
Energy: 0.42761742065792724
Energy: -0.042980854980904135
Energy: 0.42761526936899436
Energy: -0.4600071000060377
Energy: 0.6632289819191969
Energy: -0.21320358490689048
Energy: 0.6632289817438377
Energy: -0.3018267529520029
Energy: 0.9692851807943388
Energy: 0.044065060239402744
Energy: 0.969285180795035
Energy: -0.459436434556323
Energy: 0.849882801551349
Energy: -0.23067762258877578
Energy: 0.8498828015555256
Energy: -0.1399506714932098
Energy: 0.8245834569566667
Energy: -0.0811452121207653
Energy: 0.8245834563068069
Energy: -0.2838405090760103
Energy: 0.7005307337635515
Energy: -0.20138248682201287
Energy: 0.7005307337774739
Energy: -0.29687964121296395
Energy: 0.6480213380501819
Energy: -0.4416991841614339
Energy: 0.6480213379117172
Energy: 0.11825781412747755
Energy: 0.6825235973189733
Energy: -0.42494072238736297
Energy: 0.6825235965445079
Energy: 0.26137339507568713
Energy: 0.8412637252095972
Energy: -0.3925276126693094
Energy: 0.841263725208205
Energy: 0.14671129339656072
Energy: 0.7004085883799032
Energy: -0.45001082702021206
Energy: 0.7004085883861684
Energy: -0.31709266039145945
Energy: 0.8139578314652878
Energy: -0.5513896522339221
Energy: 0.8139578314645916
Energy: -0.3568757392242173
Energy: 0.6822796202323287
Energy: -0.36984951236658303
Energy: 0.6822796202337209
Energy: -0.13794965028322173
Energy: 0.9575117997399896
Energy: -0.4008638194629941
Energy: 0.9575117997434701
Energy: -0.40355568142770626
Energy: 0.8407889066946156
Energy: -0.23738654639029502
Energy: 0.8407889067029689
Energy: -0.11836746000612083
Energy: 0.8224262705192604
Energy: -0.2455317997071432
Energy: 0.8224262705248294
Energy: -0.14197462534790972
Energy: 0.8195758371933138
Energy: -0.25213327662116286
Energy: 0.819575837188441
Energy: -0.4068009165628249
Energy: 0.8534260415009661
Energy: -0.24973624365998942
Energy: 0.853426041505143
Energy: -0.14812174199223993
Energy: 0.9472836739878117
Energy: -0.40248463450591115
Energy: 0.9472836739816098
Energy: -0.36034385432353044
Energy: 0.6812526525497606
Energy: -0.3904128667069453
Energy: 0.6812526522665662
Energy: -0.12829012311387422
Energy: 0.7756133766055688
Energy: -0.4590962884850293
Energy: 0.7756133760851239
Energy: 0.15037024809496546
Energy: 0.6957872982479468
Energy: -0.4423722025699343
Energy: 0.6957872982653499
Energy: 0.22826293921283253
Energy: 0.8436093832585938
Energy: -0.4510116039451891
Energy: 0.8436093832537209
Energy: 0.04980986778510004
Energy: 0.6289184355718606
Energy: -0.5045065637431071
Energy: 0.628918439413432
Energy: -0.029363753138249526
Energy: 0.6671043142796453
Energy: -0.47354775181961345
Energy: 0.6671043142838221
Energy: -0.23476173998486669
Energy: 0.667185067724276
Energy: -0.06960583771012949
Energy: 0.6671850471950563
Energy: -0.033000156962142646
Energy: 0.8260227701750885
Energy: 0.24852399088944896
Energy: 0.8260227702008449
Energy: -0.4582248001074584
Energy: 0.8420828319747189
Energy: -0.24688039651300603
Energy: 0.8420828317659462
Energy: -0.2939015441881621
Energy: 0.9685744741461559
Energy: 0.3304039469664879
Energy: 0.9685744741872272
Energy: -0.45577204844889674
Energy: 0.7262804169414196
Energy: -0.2485543574134363
Energy: 0.7262804169442041
Energy: -0.30941283950842685
Energy: 0.4277177416927878
Energy: 0.29923409284314606
Energy: 0.42772350029523143
Energy: -0.33533665552916186
Energy: 0.8686258819830437
Energy: -0.21050135758680263
Energy: 0.8686258819746902

minimum gb energy = -0.611591977786218 eV
minimum distance =  2.19943639148804 Angstroms
sigma value = 37


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

Energy: 0.5899722186823789
Energy: 0.6267917493191917
Energy: -0.3572207251502789
Energy: 0.6267917493191917
Energy: 0.6471573009776846
Energy: 0.7138181141257796
Energy: 0.32125823002372195
Energy: 0.7138181141197913
Energy: 0.3676345707316156
Energy: 0.9769422258681976
Energy: 0.13436833396768105
Energy: 0.9769422258681976
Energy: 0.19792809033530848
Energy: 0.5903533247160705
Energy: 0.19811361666619448
Energy: 0.5903533247112799
Energy: 0.18635508954484903
Energy: 0.7131009761215585
Energy: 0.19940805809392637
Energy: 0.7131009762568385
Energy: -0.13675997756525665
Energy: 0.8680042267770622
Energy: 0.32200284413259345
Energy: 0.8680042267770622
Energy: 0.22624023590023815
Energy: 1.0737526778852524
Energy: 0.6564560439869003
Energy: 1.0737526778852524
Energy: 0.07268112808480037
Energy: 0.3756960990805066
Energy: 0.37810110857722584
Energy: 0.3756960990817042
Energy: -0.028393663375797212
Energy: 0.6993295014553246
Energy: 0.48912651295033804
Energy: 0.6993295014541269
Energy: 0.09527604952238254
Energy: 0.7174001756042282
Energy: 0.3243449773156671
Energy: 0.7174001756030579
Energy: 0.2341657242095307
Energy: 0.9726664537827048
Energy: 0.1777891836057423
Energy: 0.9726664537827048
Energy: 0.4605004108542294
Energy: 0.718449176025975
Energy: 0.1862650339797672
Energy: 0.7184491760271727
Energy: 0.3516327958579778
Energy: 0.8781893283652845
Energy: -0.08968596772179767
Energy: 0.8781893283652845
Energy: 0.6208069824075318
Energy: 1.073288243595273
Energy: 0.15545416589509273
Energy: 1.0732882435964706
Energy: 0.5812035624852168
Energy: 0.6218497100366144
Energy: 0.07629451306541499
Energy: 0.6218497099994873
Energy: 0.4805091314160504
Energy: 0.6581519836547675
Energy: -0.00989657298875532
Energy: 0.6581519836535699
Energy: 0.3417694416505646
Energy: 0.7184186582219046
Energy: -0.19058669944021212
Energy: 0.7184186582231024
Energy: 0.1676316673652159
Energy: 0.969683168875004
Energy: 0.19878004923803017
Energy: 0.9696831688738063
Energy: 0.23797110368474902
Energy: 0.6601254278692664
Energy: 0.14907068607512897
Energy: 0.6601254278405227
Energy: 0.13192004605981245
Energy: 0.9430756759668649
Energy: 0.3179497907756887
Energy: 0.9430756759656672

minimum gb energy = -0.3572207251502789 eV
minimum distance =  2.20794138003344 Angstroms
sigma value = 25


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

Energy: 0.2928503838962586
Energy: 0.7465608151244814
Energy: -0.6067379668383853
Energy: 0.7465608151244814
Energy: 0.13132284756229115
Energy: 0.7454911435943076
Energy: 0.22809308742554452
Energy: 0.7454911435943076
Energy: 0.24766306148535108
Energy: 0.023506615535177747
Energy: -0.46288661419670885
Energy: 0.02350661553704816
Energy: -0.1847247696150968
Energy: 0.7790184319572868
Energy: 0.22650983893623464
Energy: 0.7790184319582222
Energy: 0.2082363441568801
Energy: 0.807599598268666
Energy: -0.25323184372696883
Energy: 0.8075995982696011
Energy: -0.554114918332125
Energy: 0.7982342675552939
Energy: 0.2278599196359063
Energy: 0.7982342675562292
Energy: 0.21850157030745238
Energy: 0.5722112561106508
Energy: -0.23357931372199964
Energy: 0.5722112560994282
Energy: -0.6711997394217527
Energy: 0.5835628937045113
Energy: 0.24911491372874373
Energy: 0.5835628937091875
Energy: 0.20702264200474216
Energy: 0.7874730456038794
Energy: 0.06181790540104855
Energy: 0.7874730456020514
Energy: -0.5974631328926243
Energy: 0.7761394414593829
Energy: 0.2956990608308527
Energy: 0.776139441455642
Energy: 0.21214967748742947
Energy: 0.5404169025861952
Energy: 0.08265659936760532
Energy: 0.5404169025852601
Energy: -0.5141336193199447
Energy: 0.8317284850818791
Energy: 0.24790999931954316
Energy: 0.8317284850818791
Energy: 0.20865785179127852
Energy: 0.7827635288470788
Energy: -0.16590954447376158
Energy: 0.7827635288461435
Energy: -0.19465978053290448
Energy: 0.7898851587659971
Energy: 0.22748003230221348
Energy: 0.7898851587650619
Energy: 0.22496365459746812
Energy: 0.5363164382531691
Energy: -0.5444065692237732
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Energy: 0.22907514689314243
Energy: 0.8102054132012092
Energy: 0.2149522894031858
Energy: 0.8102054132021445
Energy: 0.2088335126498054
Energy: 0.5811597762168829
Energy: -0.675887167863646
Energy: 0.5811597762187534
Energy: 0.08362042970670235
Energy: 0.7908735080860202
Energy: 0.22547127094109184
Energy: 0.7908735080860202
Energy: 0.3089243304794869
Energy: 0.7799400515654608
Energy: -0.4871854752611837
Energy: 0.7799400515654608
Energy: 0.1394879313261002
Energy: 0.7987679422442283
Energy: 0.17140610419529362
Energy: 0.7987679422423579
Energy: 0.2092915721748248
Energy: 0.8187144957304164
Energy: -0.17736807090725756
Energy: 0.818714495728546
Energy: -0.26220885538323746
Energy: 0.7768723408885421
Energy: 0.22901088691617838
Energy: 0.7768723396854395
Energy: 0.18124764209885338
Energy: 0.16013491809251687
Energy: -0.1925701114177153
Energy: 0.16043561049767222
Energy: -0.2077907518901504
Energy: 0.8005134905577082
Energy: 0.1837379596887046
Energy: 0.8005134905502265
Energy: -0.27029931125802065
Energy: 0.8187278731302331
Energy: 0.19863352922013092
Energy: 0.8187278731339739
Energy: -0.14735609849213926
Energy: 0.5789831968656577
Energy: 0.18808970529766086
Energy: 0.5789831968665928

minimum gb energy = -0.675887167863646 eV
minimum distance =  2.21451499804419 Angstroms
sigma value = 41


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

Energy: 0.16955223591741733
Energy: 0.588468290531563
Energy: -1.2647147645872416
Energy: 0.5884682905269628
Energy: -0.25971724365834475
Energy: 0.6435048747205284
Energy: -0.481106511935346
Energy: 0.6435048747197616
Energy: -0.19585000523446527
Energy: 0.5386273083021839
Energy: -1.3929007151366277
Energy: 0.5386273083021839
Energy: -0.492689334340457
Energy: 0.5977829823411507
Energy: -0.4274047034222165
Energy: 0.5977829823495845
Energy: -0.09230419391057688
Energy: 0.6705798776001842
Energy: -1.3317257943225995
Energy: 0.6705798775994175
Energy: -0.6997550757319091
Energy: 0.6036241224428238
Energy: -0.48548569079277837
Energy: 0.6036241224343898
Energy: -0.31959815137496284
Energy: 0.5669557075584255
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Energy: 0.5669557075561253
Energy: -0.42997659091608165
Energy: 0.4362839951203555
Energy: -0.4140786333817794
Energy: 0.4362839951632567
Energy: -0.6158402089412494
Energy: 0.005630870626009481
Energy: -0.5241990938518478
Energy: 0.005632347240265834
Energy: -0.6889996357264655
Energy: 0.6136793420394046
Energy: -0.19985003413115132
Energy: 0.6136793420363376
Energy: -0.2912378647977907
Energy: 0.6481144328652403
Energy: -0.18295241738104315
Energy: 0.6481144328621733
Energy: -0.41123345690199486
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Energy: 0.27162862027296947
Energy: 0.6167028089167593
Energy: -0.2481666858423933
Energy: 0.03721823831936867
Energy: -0.24809316196601036
Energy: 0.04011551296913781
Energy: -0.4435870752356949
Energy: 0.2965725212585626
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Energy: 0.3016577931340013
Energy: -0.27989916171813406
Energy: 0.5622132563413665
Energy: -0.500059885156529
Energy: 0.5622132563436667
Energy: -0.26582654140730144
Energy: -0.017205600456934977
Energy: -0.47006817382989147
Energy: -0.01721491383899199
Energy: -0.39597945880409263
Energy: 0.6001264475054552
Energy: -0.7931844537565684
Energy: 0.6001264474717545
Energy: -0.15039444077468467
Energy: 0.6319447390581201
Energy: -0.5747768539779928
Energy: 0.6319447390627204
Energy: -0.3643247887543032
Energy: 0.42806330828719885
Energy: -0.5371448046081851
Energy: 0.4280633083032999
Energy: 0.07833395588236783
Energy: 0.007593469996923197
Energy: -0.623803342268671
Energy: 0.007608427787984903
Energy: -0.048581560684486956
Energy: 0.5859129804819558
Energy: -0.9161478130339347
Energy: 0.5859129806842647
Energy: -0.2342787560459637
Energy: 0.49683172426494615
Energy: -0.46162285057565106
Energy: 0.49683175074708025
Energy: 0.3773060106095354
Energy: 0.6057731891598662
Energy: -0.5235882971707262
Energy: 0.6057731891552658
Energy: -0.23145251196510774
Energy: 0.6766458313146024
Energy: -0.5926252237083075
Energy: 0.6766458313153692
Energy: -0.04707115447291659
Energy: 0.6398307319685519
Energy: -1.3718402050607623
Energy: 0.6398307319731523
Energy: -0.47021120183877463
Energy: 0.6478905779470004
Energy: -0.48686544366513956
Energy: 0.6478905779447003
Energy: -0.11662131897771891
Energy: 0.616336038788029
Energy: -0.28496197825076364
Energy: 0.6163360387910958
Energy: -0.19935435589876474
Energy: 0.6303373894916343
Energy: -0.6065356480178049
Energy: 0.6303373894954678
Energy: -0.28937528559316805
Energy: 0.6355915125908809
Energy: -0.173172078329839
Energy: 0.6355915125947145
Energy: -0.48017885066676314
Energy: 0.6301327698254179
Energy: -0.5190146530877147
Energy: 0.6301327699005214
Energy: -0.5038175031763606
Energy: 0.24097541168683012
Energy: 0.06789250365893466
Energy: 0.24097543545293823
Energy: -0.46500550281318614
Energy: 0.634546429261205
Energy: -0.18332348050135935
Energy: 0.6345464292597065

minimum gb energy = -1.3929007151366277 eV
minimum distance =  2.20895996083437 Angstroms
sigma value = 15


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

Energy: 0.11010921481729911
Energy: -0.6213423231061067
Energy: -1.117305453420218
Energy: -0.5294561030675793
Energy: -0.626712142081468
Energy: -0.6262797504281976
Energy: -0.7070707514393033
Energy: -0.597734729780536
Energy: -0.5890743638174033
Energy: 0.47493179915535305
Energy: -1.0508513432221611
Energy: 0.4749317991560026
Energy: -0.7469442321717391
Energy: -0.9567172211795405
Energy: -0.7984079391561556
Energy: -0.9676440785670802
Energy: -0.9695605708773595
Energy: -0.4888060371234923
Energy: -1.8305519398339725
Energy: -0.4888838492349039
Energy: -0.9486570757765925
Energy: -0.6852593825776057
Energy: -0.8854739527069083
Energy: -0.6954972709555831
Energy: -0.8250090731298793
Energy: -0.7524736449026106
Energy: -1.0217297058831751
Energy: -0.7493167654599037
Energy: -1.0189482106133274
Energy: 0.4794218357189834
Energy: -0.8958532524441272
Energy: 0.4794218357482117
Energy: -1.3502434853675083
Energy: -0.5682889513807187
Energy: -1.0355318423292046
Energy: -0.6055137670058429
Energy: -1.1575169882269665
Energy: -0.6278039908786038
Energy: -0.9272407285590288
Energy: -0.687250621889944
Energy: -0.2464566757083857
Energy: -0.8313202777625777
Energy: -0.6705498389891363
Energy: -0.8807985331275571
Energy: -1.1650342280064427
Energy: -0.8984929666533065
Energy: -0.7525876102449227
Energy: -0.8227977472665648
Energy: -1.3259804786330835
Energy: 0.526791403641057
Energy: -0.47283333028947305
Energy: 0.5267914036443047
Energy: -1.293906191521461
Energy: -0.6845673398492219
Energy: 0.10545924038345886
Energy: -0.6604409516329169
Energy: -0.8120953047096527
Energy: -0.758761535289428
Energy: -0.5787165001790966
Energy: -0.748784058960653
Energy: -1.169836857489633
Energy: 0.5471109383348607
Energy: -0.7562361215603421
Energy: 0.5471109383380492
Energy: -1.2384632172390306
Energy: 0.5419259974412949
Energy: -0.7660063642789835
Energy: 0.5419259974412949
Energy: -0.9568586898002207
Energy: -0.6161678172732453
Energy: -0.8609162742767207
Energy: -0.5981600600273469
Energy: -0.8104714791744505
Energy: 0.5037760081150425
Energy: -0.8896486879254291
Energy: 0.503776008114393
Energy: -1.2841813194702216
Energy: 0.10002618256663097
Energy: -0.7493110748404224
Energy: 0.10002641468997599
Energy: -0.8184259540745257
Energy: -0.2937210365678124
Energy: -1.0701713001125257
Energy: -0.18265578075295053
Energy: -0.5210383491039038
Energy: -0.7266222646038698
Energy: -1.4110867239833569
Energy: -0.7266426510288545
Energy: -0.2562990169401007
Energy: 0.5174326501937012
Energy: -1.4276997758887626
Energy: 0.5174326501943507
Energy: -0.7646449547923586
Energy: 0.525381797769829
Energy: -0.7551244177820154
Energy: 0.5253817977730766
Energy: -0.0038081567546097285
Energy: -0.06105765170434063
Energy: -1.3251663557380653
Energy: -0.14985585616370692
Energy: -0.574748846736374
Energy: -0.3711770266291284
Energy: -1.3499063530253967
Energy: -0.35637591551864156
Energy: 0.10872367809766025
Energy: -0.5991687836688191
Energy: -1.4170763665369495
Energy: -0.730760876535061
Energy: -0.5750824884177274
Energy: -0.5597366649238216
Energy: -0.8806569999365979
Energy: -0.4682266970563255
Energy: -0.006014546359501708
Energy: 0.5982011533409091
Energy: -1.201839960687444
Energy: 0.5982011533428576
Energy: -0.5678325087138636
Energy: 0.5394407949805489
Energy: -1.2574572384409488
Energy: 0.5394407949831469
Energy: -0.05827758240599005
Energy: -0.6105967214695895
Energy: -1.0147398020520364
Energy: -0.6129379878699953
Energy: -0.8804763208678306
Energy: -0.5780057470015435
Energy: -0.867409417425866
Energy: -0.3580713472795059
Energy: -1.314871276608589
Energy: -0.28012036161349385
Energy: -1.0205626349186692
Energy: 0.09714453226309978
Energy: -1.2563139487042485
Energy: -0.27540290632883063
Energy: -1.2568421305619175
Energy: -0.2757862462482013
Energy: -1.2243646829218309
Energy: -0.7495547670384596
Energy: -0.7523711328013754
Energy: -0.6253324962139499
Energy: -1.4169642212966727
Energy: -0.4624350330115101
Energy: -0.21331838512528162
Energy: -0.44983087183390524
Energy: -0.8488053694736396
Energy: 0.17330816225406045
Energy: -0.7671794062526495
Energy: 0.1733007313571488

minimum gb energy = -1.8305519398339725 eV
minimum distance =  2.23768393108173 Angstroms
sigma value = 85


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

Energy: 0.5837683373948258
Energy: 0.4680124476125662
Energy: -0.9379214316309803
Energy: 0.46801244761538285
Energy: 0.47611031107396695
Energy: 0.22276780573780766
Energy: -0.1848311143239605
Energy: 0.22271813137895202
Energy: 0.5402985184734309
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Energy: -0.6057752061481283
Energy: 0.5019932424607902
Energy: -0.05397342040083399
Energy: 0.2901676234707268
Energy: 0.0505535978921191
Energy: 0.29016586097048425
Energy: 0.12030698844511255
Energy: 0.4113291163080881
Energy: -0.5211347249812337
Energy: 0.4113291163080881
Energy: -0.026735190132103834
Energy: 0.22394529781746678
Energy: -0.06320549635121828
Energy: 0.22394955936027378
Energy: 0.008457199115430403
Energy: 0.4621740395995735
Energy: -0.33480776381021854
Energy: 0.4621740414824954
Energy: -0.13793206829564333
Energy: 0.26363979363915013
Energy: 0.06957608314777872
Energy: 0.26363993917717876
Energy: 0.02159593172454047
Energy: 0.43582283980224173
Energy: -0.46064974313043516
Energy: 0.4358228398011151
Energy: -0.19759470030926005
Energy: 0.46832395593265513
Energy: 0.027731593107550197
Energy: 0.4683239559320918
Energy: -0.14535384315041844
Energy: 0.28619704522962147
Energy: -0.12065507490109334
Energy: 0.2861970520180758
Energy: -0.6131357608094643
Energy: 0.26461570509879356
Energy: 0.1674101402656721
Energy: 0.264615536515679
Energy: 0.010160738875020512
Energy: 0.436980151121001
Energy: 0.021334216001642467
Energy: 0.43698014901904714
Energy: -1.0685213283523305
Energy: 0.46069438813183206
Energy: 0.1635879170610943
Energy: 0.46069438813295865
Energy: -0.06138191200199055
Energy: 0.4737688183065456
Energy: 0.29008268771889606
Energy: 0.4737688184456106
Energy: -0.48315463421792926
Energy: 0.4631908146984343
Energy: 0.448042078161312
Energy: 0.4631908146984343
Energy: 0.02004640995705882
Energy: 0.4602443734276563
Energy: 0.25729630982397156
Energy: 0.46024437342709296
Energy: -0.7700894818733586
Energy: 0.43437032811432624
Energy: 0.10438903207301702
Energy: 0.4343703281182694
Energy: -0.01763989895450769
Energy: 0.2969722896066642
Energy: 0.23809744370529615
Energy: 0.2969722850322149
Energy: -0.537743749603524
Energy: 0.4394984294977061
Energy: 0.1608408795899435
Energy: 0.43949842884058465
Energy: 0.019583575365720012
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Energy: -0.16809664153353532
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Energy: -0.3228136813732084
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Energy: -0.250030482497944
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Energy: -0.2465884479044626
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Energy: -0.14464139591469063
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Energy: -0.13018518769572773
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Energy: 0.18834327044880708
Energy: -0.5887084510645361
Energy: 0.2568222512790026
Energy: 0.3050456684615136
Energy: 0.4786593551056968
Energy: 0.07100105403788082
Energy: 0.4786593551079501
Energy: 0.11335586420479003
Energy: 0.4801458085404603
Energy: -1.0451742957645032
Energy: 0.48014580854158695
Energy: 0.42546825753043654
Energy: 0.25638237932488533
Energy: -0.11069074916468169
Energy: 0.2564011189850301
Energy: 0.5831252117725991
Energy: 0.22579895356196208
Energy: -0.5635443089938855
Energy: 0.22579895071674877
Energy: 0.4709867905433464
Energy: 0.47604861184309644
Energy: 0.06934973943326965
Energy: 0.4760486118419697
Energy: 0.09352162864380476
Energy: 0.4621633015968108
Energy: -1.0055628129115908
Energy: 0.4621633015973741
Energy: 0.37886034799448953
Energy: 0.4706219356147042
Energy: -0.11036051848781882
Energy: 0.4706219334862739
Energy: 0.19203492743362516
Energy: 0.4383235288362763
Energy: -0.3343683402221966
Energy: 0.4383235143443447
Energy: 0.08626410708407896
Energy: 0.48047282515607753
Energy: -0.18520102831677618
Energy: 0.48047282515607753
Energy: -0.13132280252996403
Energy: 0.46091398481424395
Energy: -0.3304341847250258
Energy: 0.4609139848294282
Energy: 0.0452965972664772
Energy: 0.4596550374883081
Energy: -0.13654516428855196
Energy: 0.4596550374905614
Energy: -0.011073956987957236
Energy: 0.4891222979465397
Energy: -0.03987065478271805
Energy: 0.489122297948793
Energy: -0.31587601241738783
Energy: 0.3493839391972449
Energy: -0.13467097066599462
Energy: 0.3493838115273229
Energy: -0.115909897866488
Energy: 0.5075548802675993
Energy: 0.2292400954683795
Energy: 0.5075548802563584
Energy: -0.6421976186689752
Energy: 0.2611263381528645
Energy: 0.18817491644203946
Energy: 0.26113668255215555
Energy: -0.0378433401384278
Energy: 0.4875829654893851
Energy: 0.34830663196395206
Energy: 0.4875829654888218

minimum gb energy = -1.0685213283523305 eV
minimum distance =  2.24149622243965 Angstroms
sigma value = 113


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

Energy: 0.017065261145690375
Energy: 0.017757791591319797
Energy: 0.45465918433929403
Energy: 0.017757791592570852
Energy: 0.4535330453992108
Energy: 0.08238437835414983
Energy: -5.340112389897697
Energy: 0.08238437835670005
Energy: 0.017065261145690375
Energy: 0.017757791591319797
Energy: -1.3464109272590068
Energy: 0.017757791592570852
Energy: 0.4535330454009189
Energy: 0.08238437835414983
Energy: -5.340112389897697
Energy: 0.08238437835670005
Energy: 0.017065261145690375
Energy: 0.017757791591752857
Energy: 0.45467212205280594
Energy: 0.01775779159300391
Energy: 0.4535330454004859
Energy: 0.08238437835414983
Energy: -5.340112389897697
Energy: 0.08238437835626698

minimum gb energy = -5.340112389897697 eV
minimum distance =  2.55705152374888 Angstroms
sigma value = 1