Model name: model_name=MEAM_LAMMPS_LeeBaskesKim_2001_Fe__MO_196726067688_000
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=3.567322969436645
cohesive_energy=4.225801906680588
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=[0.0, 3.1107861525744e-19, 3.7156078319094e-19, 4.17195580257162e-19, 4.55479590926592e-19, 4.8827134009467e-19, 5.16706770994902e-19, 5.4154371317517e-19, 5.63323702337766e-19, 5.8244728264119e-19, 5.9922207199917e-19, 6.138932034367079e-19, 6.2665934685642e-19, 6.376839242749739e-19, 6.471047228828939e-19, 6.550387015744619e-19, 6.61588399654254e-19, 6.668387324838719e-19, 6.70866604541748e-19, 6.737425115997779e-19, 6.7552573419342e-19, 6.7627074632823e-19, 6.762723485048639e-19, 6.769949301667979e-19, 6.75839760813684e-19, 6.725937509532e-19, 6.6767667086345385e-19, 6.610212291258179e-19, 6.523101947667599e-19, 6.41162249747388e-19, 6.27111160667208e-19, 6.09594563527686e-19, 5.879203180229339e-19, 5.61237668360298e-19, 5.284939844912399e-19, 4.8836747069271e-19, 4.39203078501786e-19, 3.78887536938222e-19, 3.04714769667192e-19, 2.1316799897706597e-19, 9.96319948559436e-20, -4.2045600970735195e-20, -2.2017271522091395e-19, -4.46191772979294e-19, -7.361280653744699e-19, -1.1129696227510739e-18, -1.6105079524967998e-18, -2.27999348078004e-18, -3.20180580715194e-18, -4.50773998152534e-18, -6.42517691179752e-18, -9.373085787759479e-18, -1.419188836277592e-17, -2.2771896716705398e-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: 0.016737378342832617
Energy: -0.43840437437985696
Energy: 0.5814349746352276
Energy: 0.12847438903214536
Energy: -0.4384043744031517
Energy: 0.6836253271433202
Energy: 0.12847438903214536
Energy: 0.6836206070740128
Energy: 0.58143497463648
Energy: 0.12847438903214536
Energy: 0.016737378342832617
Energy: -0.43840437441889624
Energy: 0.12847438903214536
Energy: 0.6836224123860668
Energy: -0.43840437442265345
Energy: 0.6836275821488477

minimum gb energy = -0.43840437442265345 eV
minimum distance =  2.48576577482258 Angstroms
sigma value = 1


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

Energy: 1.6027963016206859
Energy: 0.464942268686706
Energy: 0.3063616864705577
Energy: 0.38642640375782134
Energy: 0.8547149772754825
Energy: 0.3291022733153304
Energy: 0.30874370786820404
Energy: 0.32905615357486884
Energy: 0.3040216537499589
Energy: 0.31701986781372826
Energy: 0.4640372339671028
Energy: 0.3170198677434961
Energy: 0.32490526249008006
Energy: 0.3244018573785616
Energy: 0.30777522135585783
Energy: 0.32440185719662534
Energy: 0.46975454638968744
Energy: 0.3297203101280049
Energy: 0.8429013818812685
Energy: 0.32972085191804035
Energy: 0.4017946550169815
Energy: 0.42949518008915816
Energy: 0.3067065780801657
Energy: 0.4294951809214345
Energy: 0.9095349803000737
Energy: 1.0343928594718217
Energy: 0.8704457638030721
Energy: 1.0343928594718217
Energy: 0.88105581413796
Energy: 0.455616306002475
Energy: 0.3789803046579931
Energy: 0.45561630581272744
Energy: 1.2178325368533236
Energy: 1.0685351599734452
Energy: 0.9163328688264306
Energy: 1.0685351599726642
Energy: 0.9103766178158832
Energy: 1.0527213334348402
Energy: 0.8816792819186514
Energy: 1.0527212993122905
Energy: 0.8757985300170615
Energy: 1.0638353814606625
Energy: 1.0617041782206866
Energy: 1.0638353814614434
Energy: 0.8840404205080606
Energy: 1.045347318790479
Energy: 0.3713278490497482
Energy: 1.0453473188052496
Energy: 1.0405306763693847
Energy: 0.4223500704981677
Energy: 0.4243629341085536
Energy: 0.4223500704973866
Energy: 0.38237469050376804
Energy: 0.41914664520546124
Energy: 0.8772037221792263
Energy: 0.41914664520624234
Energy: 0.44181994653630896
Energy: 0.3273392712413312
Energy: 0.8673093336283703
Energy: 0.3273392712694525
Energy: 0.3423521348041489
Energy: 0.3210920678567013
Energy: 0.35125423123083443
Energy: 0.3210920678574825
Energy: 0.31009146585146796
Energy: 0.30813513675644033
Energy: 0.4380587935534066
Energy: 0.30813513669323855
Energy: 0.36016878914342265
Energy: 0.3169903155479148
Energy: 0.8688853728253743
Energy: 0.3169903136771393
Energy: 0.47790719501718354
Energy: 0.29645202846716395
Energy: 0.2856554158629122
Energy: 0.29645202845935253
Energy: 0.4611934967788149
Energy: 0.34986856595392707
Energy: 0.3422483254508644
Energy: 0.3498684090099698
Energy: 0.2670066218934061
Energy: 0.33057428874747535
Energy: 0.7963716484752231
Energy: 0.3305742887537245
Energy: 0.3280070695023925
Energy: 0.34795530445157763
Energy: 0.38207209928533276
Energy: 0.347955300802131
Energy: 0.4339046389075853
Energy: 0.4185108036906917
Energy: 0.8991330271242814
Energy: 0.41851080369225396
Energy: 0.3841048157657291
Energy: 0.4191255133844703
Energy: 0.8849249462870555
Energy: 0.4191255107437683
Energy: 0.9262543408545028
Energy: 1.070060257943556
Energy: 1.234304820534902
Energy: 1.070060257942775
Energy: 0.8909862724401132
Energy: 1.046798409029364
Energy: 0.9078629202407797
Energy: 1.0467984090309264
Energy: 1.266476460350934
Energy: 1.0695947215331258
Energy: 0.8768875194003394
Energy: 1.0695947215331258
Energy: 0.3753562286995461
Energy: 1.051280239535534
Energy: 0.8838556558015972
Energy: 1.051280239535534
Energy: 0.4215691482082616
Energy: 0.41313664358964036
Energy: 1.0231536178335705
Energy: 0.41313664358964036
Energy: 0.8682799092677067
Energy: 0.4145077845525935
Energy: 0.904951047466055
Energy: 0.41450778455415577
Energy: 0.8617327562740752
Energy: 0.3143503822868284
Energy: 0.4412454537518472
Energy: 0.3143503822165962
Energy: 0.28688868844272825
Energy: 0.31891630430167794
Energy: 0.3431652331295435
Energy: 0.31891630428136813
Energy: 0.41596487885782196
Energy: 0.31401356463112245
Energy: 0.29097094666696466
Energy: 0.3140135631304685

minimum gb energy = 0.2670066218934061 eV
minimum distance =  2.23685624426801 Angstroms
sigma value = 1


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

Energy: 1.4436129467139123
Energy: 0.38853762991655605
Energy: 0.46212218521306253
Energy: 0.5231451763093561
Energy: 0.5625144121654525
Energy: 0.8839967542198196
Energy: 0.4885484734737168
Energy: 0.8839967542198196
Energy: 0.46184060212684336
Energy: 0.45209303516562177
Energy: 1.6768210386200972
Energy: 0.45209303516562177
Energy: 0.4741581632242895
Energy: 0.4680161629749431
Energy: 0.4785197026028363
Energy: 0.46801603420756976
Energy: 0.5953711699925761
Energy: 0.4948570396393865
Energy: 0.42635403932131655
Energy: 0.49485703964027716
Energy: 0.5577598784955984
Energy: 0.6138749875115345
Energy: 0.9171730011696011
Energy: 0.6138749895902579
Energy: 1.014583943317697
Energy: 0.5925323148687686
Energy: 1.3841895509571402
Energy: 0.5925323148696592
Energy: 0.5334685105459605
Energy: 0.6293307678059683
Energy: 0.5372269319353642
Energy: 0.629330767804187
Energy: 0.6079298444619241
Energy: 1.1637204779915338
Energy: 0.5509108885840605
Energy: 1.163720477993315
Energy: 0.5359756012747741
Energy: 1.1536541291989615
Energy: 0.5376284813281731
Energy: 1.153654128143103
Energy: 0.5803735621610142
Energy: 0.5876711695419063
Energy: 1.1263187825700767
Energy: 0.5876711695427971
Energy: 0.9721294064041831
Energy: 0.5779273148144212
Energy: 0.5553953829542091
Energy: 0.5779273147138188
Energy: 0.42533700108951633
Energy: 0.47753471219205895
Energy: 0.605628617663448
Energy: 0.47753471219116833
Energy: 0.4749694539227641
Energy: 0.4740725035040702
Energy: 0.4719381390741774
Energy: 0.4740725035378742
Energy: 0.5851612276606897
Energy: 0.4624829053144722
Energy: 0.4627642895947484
Energy: 0.4624829048105699
Energy: 0.5691916521245481
Energy: 0.48692517038131283
Energy: 0.5615804656348307
Energy: 0.48692538249558714
Energy: 0.4377794946980678
Energy: 0.6707968982206042
Energy: 0.6137560475867072
Energy: 0.6707968982312918
Energy: 0.5006897989011933
Energy: 0.545378119936554
Energy: 0.5865967781040327
Energy: 0.5453781199516545
Energy: 0.6124655592160729
Energy: 0.49488491979132365
Energy: 0.4276965453958945
Energy: 0.4948849197895423
Energy: 0.5562811120570015
Energy: 0.4921809412978849
Energy: 0.46227011602981694
Energy: 0.49218094076819446
Energy: 1.0126301978773158
Energy: 1.1409167884791678
Energy: 0.5992746767112741
Energy: 1.1409167884720426
Energy: 0.5257164259493615
Energy: 0.5862144619381322
Energy: 0.5452029905913669
Energy: 0.5862144619399134
Energy: 1.4047206519817657
Energy: 1.1540314275029753
Energy: 0.566049848175593
Energy: 1.1540314275003034
Energy: 0.5403356011343183
Energy: 1.1478581881632013
Energy: 0.5339489053181827
Energy: 1.1478581881623109
Energy: 0.5792820075524668
Energy: 0.58612365521272
Energy: 1.1302604370517113
Energy: 0.5861236552145014
Energy: 0.5816224596493942
Energy: 0.5748800349836716
Energy: 0.5460311382659014
Energy: 0.5748800349845623
Energy: 0.4312265910798075
Energy: 0.5170358807832863
Energy: 0.6100522359195902
Energy: 0.5170358807841771
Energy: 0.45504562648927016
Energy: 0.4698683131996656
Energy: 0.4641161479752305
Energy: 0.46986831320322825
Energy: 0.6237716968101975
Energy: 0.495256125053812
Energy: 0.4445706132485639
Energy: 0.49525612471731034

minimum gb energy = 0.38853762991655605 eV
minimum distance =  2.25378978374558 Angstroms
sigma value = 25


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

Energy: 1.4531200682978729
Energy: 0.6223043804257673
Energy: 0.6071058341598131
Energy: 0.6678514122381823
Energy: 1.0572247640710495
Energy: 0.6496101950350783
Energy: 0.6766287091512254
Energy: 0.6496101950113122
Energy: 0.6329042066395014
Energy: 0.6668986966493264
Energy: 1.5037701652602504
Energy: 0.6668986966524324
Energy: 0.6365449793240493
Energy: 0.6494275414518701
Energy: 0.6537604345562794
Energy: 0.6494275452975475
Energy: 1.363915849102223
Energy: 0.670588662498824
Energy: 1.0123975760242807
Energy: 0.6705886624998593
Energy: 0.7216161898949837
Energy: 0.7861207447790334
Energy: 0.6530856614282763
Energy: 0.7861207447779981
Energy: 0.7281626640140988
Energy: 0.7716466237687462
Energy: 1.0998203912803628
Energy: 0.7716466237687462
Energy: 0.6960686561543563
Energy: 0.7895309065570972
Energy: 0.713940463565434
Energy: 0.7895309065374255
Energy: 0.7538781690547718
Energy: 1.2595948685687985
Energy: 0.7962462453126173
Energy: 1.259594868569834
Energy: 0.7419816289441992
Energy: 0.7585916378188527
Energy: 0.6320919638864488
Energy: 0.7585916378188527
Energy: 0.7439647570556658
Energy: 0.6533099397220897
Energy: 1.0545711223138754
Energy: 0.6533099397210544
Energy: 0.6631512546476148
Energy: 0.6382657489419067
Energy: 0.6333994429425429
Energy: 0.6382657489408715
Energy: 0.5991219736460186
Energy: 0.5858340627661306
Energy: 0.7643892725639679
Energy: 0.5858355684769408
Energy: 0.686611443052528
Energy: 0.6343751500486363
Energy: 0.7218645030698913
Energy: 0.6343751500538132
Energy: 0.8129989629159295
Energy: 0.8786628309818048
Energy: 0.606970954101804
Energy: 0.8786628309818048
Energy: 0.7590391528171709
Energy: 0.7119508465640324
Energy: 0.6720649242796528
Energy: 0.7119508465609263
Energy: 0.6059663376520749
Energy: 0.6562569635490332
Energy: 0.6789547831524675
Energy: 0.6562569635500686
Energy: 0.638291656029949
Energy: 0.6757868845922453
Energy: 0.7342595227244278
Energy: 0.6757868787947862
Energy: 0.8665705239173837
Energy: 0.7612326109595279
Energy: 0.7134588971674136
Energy: 0.7612326109595279
Energy: 0.7241963631300846
Energy: 1.2395662352807644
Energy: 0.7182597856468692
Energy: 1.2395662352217964
Energy: 1.1372137538465321
Energy: 0.7382049251049694
Energy: 0.8644781017884208
Energy: 0.73820492510704
Energy: 0.7147322969759162
Energy: 0.7618820575600834
Energy: 0.7254909504133649
Energy: 0.7618820575600834
Energy: 0.6156116481688817
Energy: 0.6511541175788772
Energy: 0.5438873056791278
Energy: 0.6511541175809479
Energy: 0.6367041234993427
Energy: 0.636898539213425
Energy: 0.5389608987287645
Energy: 0.636898539213425
Energy: 0.7647098292083119
Energy: 0.6564708049922391
Energy: 0.6062239958082922
Energy: 0.6564708049932744

minimum gb energy = 0.5389608987287645 eV
minimum distance =  2.24471374764775 Angstroms
sigma value = 9


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

Energy: 1.5628379858935675
Energy: 0.7315065294196441
Energy: 0.8045071622819958
Energy: 0.8247588704489472
Energy: 0.9153431052394869
Energy: 0.8297900019492359
Energy: 0.8692064611548604
Energy: 0.8297900019492359
Energy: 0.8245226624465999
Energy: 0.7889184809344769
Energy: 0.9828365942890875
Energy: 0.788918480948063
Energy: 0.8305216158289495
Energy: 0.938988498676196
Energy: 0.809854161750902
Energy: 0.9389884986799014
Energy: 1.2487274834782194
Energy: 0.8785597321366949
Energy: 0.8007612118046509
Energy: 0.8785597321354598
Energy: 0.883080529495362
Energy: 1.0210010413942352
Energy: 0.8089695575196001
Energy: 1.0210010413806492
Energy: 0.9236314463747117
Energy: 0.9634791990632084
Energy: 1.1561435862193692
Energy: 0.9634791990619733
Energy: 0.8952732633299643
Energy: 1.3030679313794664
Energy: 0.7976603948977905
Energy: 1.3030679313942874
Energy: 0.8928149072219329
Energy: 0.9622489134465282
Energy: 0.8824905764831693
Energy: 0.9622489134465282
Energy: 0.9340390097628293
Energy: 0.9438913668272924
Energy: 0.7761182231982681
Energy: 0.9438913668260572
Energy: 1.3808706718174593
Energy: 0.6856062347220957
Energy: 0.6776553424808094
Energy: 0.6856062347220957
Energy: 0.8970959664316421
Energy: 0.6348481650156399
Energy: 0.6905824477410851
Energy: 0.6348481650156399
Energy: 0.8627591440066916
Energy: 0.9181062242431546
Energy: 0.8681991076488429
Energy: 0.9181062242419195
Energy: 0.8702074511233653
Energy: 1.1695321198790227
Energy: 0.9447227517702604
Energy: 1.1695321198790227
Energy: 1.2692606196635958
Energy: 0.820027987490918
Energy: 0.7875158858471571
Energy: 0.820027987490918
Energy: 0.9607024919052107
Energy: 0.8191999048155344
Energy: 0.7970389163869985
Energy: 0.8191999048180045
Energy: 0.8849808158177095
Energy: 0.9768980459928749
Energy: 0.93748910667983
Energy: 0.9768980459928749
Energy: 0.9400714044726975
Energy: 0.9692772578471058
Energy: 0.8003758914893926
Energy: 0.9692772578471058
Energy: 0.8471997775596791
Energy: 0.8480439346177241
Energy: 0.9000147542916417
Energy: 0.8480439346201663
Energy: 0.8983056204672044
Energy: 0.879153358982542
Energy: 0.7304316125667786
Energy: 0.8791533589788367
Energy: 1.0509420711533628
Energy: 0.8089608059578244
Energy: 0.7774106399099001
Energy: 0.8089608059738808

minimum gb energy = 0.6348481650156399 eV
minimum distance =  2.25221109705628 Angstroms
sigma value = 25


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

Energy: 1.3913632680958952
Energy: 1.2032591693046284
Energy: 1.2584363647563792
Energy: 1.2568363313243982
Energy: 1.3096930766277362
Energy: 0.7886616419699576
Energy: 0.9153520534155469
Energy: 0.7886616419623204
Energy: 1.2357751514846285
Energy: 0.8505549534625002
Energy: 1.0380028178741296
Energy: 0.8505549312862233
Energy: 1.2043543071650678
Energy: 0.9402245552477396
Energy: 0.7630220861197435
Energy: 0.9402245552279176
Energy: 1.2297283943177344
Energy: 1.3177722928141413
Energy: 0.853011095347411
Energy: 1.3177722928156685
Energy: 0.9150315080711445
Energy: 0.9123501142249383
Energy: 0.7612260294391792
Energy: 0.9123502370057938
Energy: 0.9840472825423051
Energy: 0.891151085083033
Energy: 0.8734721453395551
Energy: 0.891151085076958
Energy: 0.7655363723226074
Energy: 1.310972289656643
Energy: 0.753844864732054
Energy: 1.310972289653588
Energy: 0.7688295427500788
Energy: 0.8446809349358341
Energy: 0.8993803645861845
Energy: 0.8446809342915312
Energy: 0.8330447960851932
Energy: 0.8867478479874926
Energy: 0.9794086816248768
Energy: 0.8867478479874926
Energy: 1.23754277665818
Energy: 1.1844647208196828
Energy: 0.8116874035768386
Energy: 1.1844647208181551
Energy: 1.1983299227820023
Energy: 0.8879208825550323
Energy: 0.8640174507224296
Energy: 0.8879208825596147
Energy: 0.773987313117172
Energy: 0.9622895207311049
Energy: 0.9218025340011328
Energy: 0.9622895207402695
Energy: 0.7369914277966261
Energy: 1.3121107282968443
Energy: 0.9090018664863133
Energy: 1.3121107282968443
Energy: 0.8983598259339431
Energy: 1.3140778963659827
Energy: 0.7570995492899559
Energy: 1.314077896364455
Energy: 0.7526316477487135
Energy: 1.3155364159470624
Energy: 0.7257945150942774
Energy: 1.3155364159470624
Energy: 0.8901051292909201
Energy: 1.1948696033716537
Energy: 1.1969546514844853
Energy: 1.1948696033319401

minimum gb energy = 0.7257945150942774 eV
minimum distance =  2.27437952524044 Angstroms
sigma value = 17


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

Energy: 2.0395478628227877
Energy: 0.8202431853367349
Energy: 0.9411574362330996
Energy: 1.326116868513254
Energy: 1.2074713867184168
Energy: 1.4129615111878815
Energy: 1.3351991128885767
Energy: 1.4129615215727744
Energy: 1.1649390366768015
Energy: 1.2233908123522166
Energy: 1.201731770819599
Energy: 1.2233908122873365
Energy: 1.1703350917853013
Energy: 0.9489011627453316
Energy: 1.2092751094861045
Energy: 0.9489011628136328
Energy: 0.858069105192253
Energy: 1.4330490387799426
Energy: 1.2373142087431408
Energy: 1.4330490387808077
Energy: 1.2130468885708587
Energy: 1.5186170401960835
Energy: 1.1504899879188044
Energy: 1.5186170400741479
Energy: 1.4588512404409695
Energy: 1.1718813890652333
Energy: 1.1567063178307753
Energy: 1.171881354258149
Energy: 1.295298466478523
Energy: 1.1708667078642994
Energy: 1.2892196893751173
Energy: 1.1708667077216415
Energy: 0.8747449031187231
Energy: 1.2580186815370789
Energy: 1.1530476122279731
Energy: 1.2580186814817143
Energy: 1.262729810473868
Energy: 1.249179097241459
Energy: 0.9082957815088814
Energy: 1.249179097241459
Energy: 1.3952532723323723
Energy: 1.431911331353915
Energy: 0.7389851177323363
Energy: 1.4319113313530496
Energy: 1.2639379851028452
Energy: 1.2724706510770005
Energy: 1.2098256481083225
Energy: 1.2724706510830561
Energy: 1.1642850311906308
Energy: 1.3256549230908656
Energy: 1.2527831215393874
Energy: 1.3256549230908656
Energy: 1.2071279727545055
Energy: 1.3530204469765383
Energy: 1.1219164819827503
Energy: 1.353020441026664
Energy: 1.2806344647168628
Energy: 1.3098501450090776
Energy: 1.3015230980010346
Energy: 1.309850144932086
Energy: 0.8753754062227121
Energy: 1.348471596525188
Energy: 1.3049958716415526
Energy: 1.3484715965597909
Energy: 1.2162907116122985
Energy: 1.1922348211096983
Energy: 1.1926115526581123
Energy: 1.1922358054597992
Energy: 1.1958918672598504
Energy: 1.1620804984352688
Energy: 1.1590101148574086
Energy: 1.1620804905856605
Energy: 1.1598945051117484
Energy: 1.4768560400965978
Energy: 0.8597791550235574
Energy: 1.476856040095733
Energy: 1.3301565551494636
Energy: 1.4864728742724291
Energy: 1.136204602563074
Energy: 1.4864728742724291
Energy: 1.166531235884566
Energy: 1.1554457583386617
Energy: 1.3603868662322551
Energy: 1.1554457583352014
Energy: 1.1736685406055962
Energy: 1.162451646526045
Energy: 1.6228040682796279
Energy: 1.1624516465623782
Energy: 1.1884268885541514
Energy: 1.2472208350516365
Energy: 0.8936583435084423
Energy: 1.2472208350231284
Energy: 1.3910057778836664
Energy: 1.2617859438756682
Energy: 1.2664588101378937
Energy: 1.2617859438972556
Energy: 1.1824064637320826
Energy: 1.272236542996012
Energy: 1.2727777814116894
Energy: 1.2722365434603582
Energy: 1.1919324207095177
Energy: 1.2791992085583193
Energy: 1.184539645232683
Energy: 1.279199208698382
Energy: 1.1469354641841052
Energy: 1.438398222198621
Energy: 1.3124539513943982
Energy: 1.4383982222055418
Energy: 1.1910490536339964
Energy: 1.3319945092630452
Energy: 1.158487459711361
Energy: 1.3319945092500693
Energy: 1.1803771945140091
Energy: 1.3985928128522855
Energy: 1.1983152269394413
Energy: 1.3985928128566107
Energy: 1.2417300102325952
Energy: 1.258720533300776
Energy: 0.8464954163446453
Energy: 1.2587205332981806

minimum gb energy = 0.7389851177323363 eV
minimum distance =  2.27984582039074 Angstroms
sigma value = 53


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

Energy: 1.536473983917547
Energy: 1.1175175400225765
Energy: 1.3178131487050233
Energy: 1.3233903074364517
Energy: 1.326487869986892
Energy: 1.272054493949565
Energy: 1.2886529299953713
Energy: 1.2720544939515568
Energy: 1.247730379776716
Energy: 1.2600980209207182
Energy: 1.478048286235615
Energy: 1.2600980209247012
Energy: 1.247221913945846
Energy: 1.2262271956431616
Energy: 1.4148790048152984
Energy: 1.2262271956451531
Energy: 0.9913456542027472
Energy: 1.2262335149740873
Energy: 1.1106676443158576
Energy: 1.2262335149760788
Energy: 1.3718036333233987
Energy: 0.8185351817498079
Energy: 1.140399933064953
Energy: 0.8185351817498079
Energy: 1.3057941016900871
Energy: 1.2541805168312208
Energy: 1.2585211524137292
Energy: 1.2541805168312208
Energy: 1.302749787458177
Energy: 1.2773153747889308
Energy: 1.2836506419468485
Energy: 1.2773153747889308
Energy: 1.2490518812630336
Energy: 1.253077303636507
Energy: 1.166224263443809
Energy: 1.2530773036245575
Energy: 1.2508037292449037
Energy: 1.261555889690021
Energy: 1.2785170030611888
Energy: 1.261555889690021
Energy: 1.101592410484101
Energy: 0.841530407739011
Energy: 1.1091401387950628
Energy: 0.841530407739011
Energy: 1.2470226539071916
Energy: 0.8612552428365383
Energy: 1.12095080610723
Energy: 0.8612552428325553
Energy: 1.3095160056522361
Energy: 0.9131539489759216
Energy: 1.3112247266959316
Energy: 0.9131539489619809

minimum gb energy = 0.8185351817498079 eV
minimum distance =  2.30971499437986 Angstroms
sigma value = 9


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

Energy: 1.8041493148601169
Energy: 1.2084549843740793
Energy: 1.3624519161459479
Energy: 1.4583419214140194
Energy: 1.2150000415580942
Energy: 1.3594856429994686
Energy: 1.364005089943581
Energy: 1.3594856428218938
Energy: 1.1457945535239993
Energy: 1.1479641678982488
Energy: 1.3358947360787496
Energy: 1.1479641541368135
Energy: 1.132133047009367
Energy: 1.166125772097987
Energy: 1.3825932870511584
Energy: 1.1661257722232272
Energy: 1.135139243802997
Energy: 1.2066185938480536
Energy: 1.3359197823941946
Energy: 1.2066186230302094
Energy: 1.2001035265945497
Energy: 1.135510578269824
Energy: 1.3266725325222684
Energy: 1.1355106139075903
Energy: 1.4828604171393178
Energy: 1.236869422056166
Energy: 1.3394586305335343
Energy: 1.2368694220583776
Energy: 1.4863102083773005
Energy: 1.2491388889796897
Energy: 1.249642282243312
Energy: 1.2491388889619992
Energy: 1.1447202032576735
Energy: 1.621450245990179
Energy: 1.3364724425504464
Energy: 1.6214502459887046
Energy: 1.2606148255213387
Energy: 1.3228342419069359
Energy: 1.2534663929229912
Energy: 1.322834241915781
Energy: 1.1691838259463831
Energy: 1.182328321035893
Energy: 1.3933763977698612
Energy: 1.1823283209548787
Energy: 1.3121642003790996
Energy: 1.2719717328651576
Energy: 1.4264110136459394
Energy: 1.271971629791828
Energy: 1.29748605413918
Energy: 1.2467063095146806
Energy: 1.3192700766962469
Energy: 1.246706300074408
Energy: 1.3662954431436052
Energy: 1.1902542644809104
Energy: 1.185531011717126
Energy: 1.1902542439926778
Energy: 1.2815030453940468
Energy: 1.502705856266612
Energy: 1.1821178342599663
Energy: 1.5027058562983076
Energy: 1.3659366660492909
Energy: 1.5447966188161832
Energy: 1.3007316098113937
Energy: 1.5447966188161832
Energy: 1.2909377736498648
Energy: 1.6192884078253367
Energy: 1.2311216579445268
Energy: 1.6192884078231253
Energy: 1.2488299314184528
Energy: 1.2329550275741994
Energy: 1.7143442091138605
Energy: 1.2329848794655172
Energy: 1.3496644129599522
Energy: 1.2264161028048173
Energy: 1.3117950174006607
Energy: 1.226416102681721
Energy: 1.6383792679651814
Energy: 1.2548494295509138
Energy: 1.1377562458905965
Energy: 1.2548494293004329
Energy: 1.3440623823305085
Energy: 1.1928338581475793
Energy: 1.1724389963894475
Energy: 1.192833852291702
Energy: 1.3080473173417293
Energy: 1.231149120883389
Energy: 1.1754979146741196
Energy: 1.2311491208811778
Energy: 1.2949755576259394
Energy: 1.2992385477016097
Energy: 1.1745221067495397
Energy: 1.29923857038031
Energy: 1.3144667498434508
Energy: 1.244234338519422
Energy: 1.4378204352163582
Energy: 1.2442343376691407
Energy: 1.2587862058396195
Energy: 1.3000248768025608
Energy: 1.4774442036217548
Energy: 1.3000248768025608
Energy: 1.3093259501955352
Energy: 1.6364475716922657
Energy: 1.1380827983097492
Energy: 1.6364475716988995
Energy: 1.2470796453282833
Energy: 1.3272616293792476
Energy: 1.2521214900696793
Energy: 1.3272616293851442
Energy: 1.374971724324058
Energy: 1.2117363351835335
Energy: 1.1534669738320118
Energy: 1.2117363351886261
Energy: 1.3716183508587503
Energy: 1.2539481584796133
Energy: 1.1736329348994718
Energy: 1.2539481619682524
Energy: 1.325396372249216
Energy: 1.148034861236801
Energy: 1.3153227895976813
Energy: 1.1480348606252742
Energy: 1.1542732581578963
Energy: 1.1320350381069517
Energy: 1.2736838373599861
Energy: 1.1320350381084259
Energy: 1.1510637446307252
Energy: 1.353500641695039
Energy: 1.330479482202223
Energy: 1.3535006415557937
Energy: 1.2425628988628754
Energy: 1.4099560170656125
Energy: 1.228090507153518
Energy: 1.4099560170656125
Energy: 1.1582466063424472
Energy: 1.5597237366571963
Energy: 1.2437193122607377
Energy: 1.5597237366623562
Energy: 1.1564990529380055
Energy: 1.2206753942001565
Energy: 1.2634524031859926
Energy: 1.220675394203842

minimum gb energy = 1.1320350381069517 eV
minimum distance =  2.28028129378036 Angstroms
sigma value = 73


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

Energy: 1.6941865638527345
Energy: 1.01139647872106
Energy: 1.1587705034737246
Energy: 1.1340809929214888
Energy: 1.1471558859981177
Energy: 1.1783902997264506
Energy: 1.1277596836885275
Energy: 1.17839029972762
Energy: 0.9932353619434164
Energy: 0.9854342791761436
Energy: 1.2365434956473809
Energy: 0.98543722862849
Energy: 0.9963673346776704
Energy: 1.030559914233743
Energy: 1.1724665150557647
Energy: 1.0305599144827344
Energy: 0.9983835173073399
Energy: 0.9925563235074818
Energy: 1.1531379767084313
Energy: 0.9925563234969832
Energy: 0.9916432868281623
Energy: 1.2464259692412993
Energy: 1.1544269028778047
Energy: 1.2464259692120891
Energy: 1.170146534318877
Energy: 1.0984410059789467
Energy: 1.1438501664557326
Energy: 1.0984410059789467
Energy: 1.369701387037983
Energy: 1.24682226144427
Energy: 1.2636452049406892
Energy: 1.24682226144427
Energy: 1.0519280096433397
Energy: 1.4029171437566235
Energy: 1.1173240423559303
Energy: 1.402917143755454
Energy: 1.1314417229474674
Energy: 1.2189501385304728
Energy: 1.2497141658558355
Energy: 1.2189500818513912
Energy: 1.0127713295615068
Energy: 0.9163793383533507
Energy: 1.1303324237900838
Energy: 0.9163793383591983
Energy: 1.3264273728856468
Energy: 0.9396991860330357
Energy: 1.2761802078221098
Energy: 0.9396991860271884
Energy: 1.1895189864426152
Energy: 1.180027370920036
Energy: 1.2109034039488795
Energy: 1.180027370920036
Energy: 1.1814384494578536
Energy: 1.1820935227502656
Energy: 1.0151762776413913
Energy: 1.1820935227502656
Energy: 1.0845980667466928
Energy: 1.1798522318980658
Energy: 0.9848537103774628
Energy: 1.1798522319588516
Energy: 1.139313612137808
Energy: 1.0438153591813149
Energy: 1.05481817931887
Energy: 1.0438153573413878
Energy: 1.212539250984464
Energy: 1.300690922596599
Energy: 1.0630488730071104
Energy: 1.3006909225977685
Energy: 1.125846997466333
Energy: 1.101514713048097
Energy: 1.1515587982799667
Energy: 1.101514719056505
Energy: 1.0675334926134565
Energy: 0.983408939764481
Energy: 1.3738934850913047
Energy: 1.007055119995669
Energy: 1.2697636132766337
Energy: 1.1288206196632016
Energy: 1.089294330383656
Energy: 1.12882098429857
Energy: 1.0583286470681523
Energy: 1.246579117504037
Energy: 1.0865774344545545
Energy: 1.2465791175578065
Energy: 1.3182117105016904
Energy: 1.0663641835231952
Energy: 1.030437373691649
Energy: 1.0663641835231952

minimum gb energy = 0.9163793383533507 eV
minimum distance =  2.30902452349431 Angstroms
sigma value = 7


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

Energy: 1.4963278568887712
Energy: 0.913122835131064
Energy: 1.3559219901382908
Energy: 1.336696887789249
Energy: 1.2789656004655394
Energy: 1.6716906707603734
Energy: 1.327161779245545
Energy: 1.6716906707620272
Energy: 1.1289220654747296
Energy: 1.4207332551887897
Energy: 1.2385523225345165
Energy: 1.4207332551747314
Energy: 1.134551463973769
Energy: 0.9182371440537704
Energy: 1.3624258215493612
Energy: 0.9182371440545976
Energy: 1.1407200658560939
Energy: 1.1412923982523793
Energy: 1.2748126241892375
Energy: 1.1412923982523793
Energy: 1.3436612461373656
Energy: 1.1463620603014344
Energy: 1.025072671784849
Energy: 1.1463620600642148
Energy: 1.3746232323866012
Energy: 1.496400962104169
Energy: 1.3408742101506161
Energy: 1.496400962104169
Energy: 1.4114504534122922
Energy: 1.1426509222621708
Energy: 1.1459296434399404
Energy: 1.1426509222555552
Energy: 1.3663464064135047
Energy: 1.1926315257553108
Energy: 1.202461170664112
Energy: 1.1926315249874195
Energy: 1.5050710016409494
Energy: 1.626697895352988
Energy: 1.1179645165369558
Energy: 1.6266978953620843
Energy: 1.3136413681332455
Energy: 1.1797172979559571
Energy: 1.1915126792711264
Energy: 1.1797172979543034
Energy: 1.1994397483266428
Energy: 1.1959537565059477
Energy: 1.306543378832151
Energy: 1.1959537565026401
Energy: 1.1913346663021882
Energy: 1.166398014511569
Energy: 1.2047489937694256
Energy: 1.1663980146041488
Energy: 1.262399612372856
Energy: 1.4312454712167695
Energy: 1.077849841663104
Energy: 1.4312454712068459
Energy: 1.2155522662075184
Energy: 1.1380993638072894
Energy: 1.0886169422948613
Energy: 1.1380993638039818
Energy: 1.5337561358972671
Energy: 1.190286262190186
Energy: 1.2036964995773853
Energy: 1.190286262189359
Energy: 1.290892670287819
Energy: 1.185691764588726
Energy: 1.3324700698797327
Energy: 1.1856917645895526
Energy: 1.131001371842538
Energy: 1.6657207950899464
Energy: 1.3824027886951407
Energy: 1.6657207950874653
Energy: 1.198837291463362
Energy: 1.199156894996632
Energy: 1.3874362886023377
Energy: 1.1991568949958051
Energy: 1.152457474305348
Energy: 1.1390585212067115
Energy: 1.5473444441496413
Energy: 1.1390585212645974
Energy: 1.3496484007183742
Energy: 1.3794647641264832
Energy: 1.2748503746734947
Energy: 1.3794647641256563
Energy: 1.387788474849907
Energy: 1.43387381121945
Energy: 1.3551774772497798
Energy: 1.4338738112334706
Energy: 1.3937280658977689
Energy: 1.1686316119780515
Energy: 1.1270329855725318
Energy: 1.168631611942493
Energy: 1.4027798769802
Energy: 1.1738796748567724
Energy: 1.1286066185128616
Energy: 1.173879674859253
Energy: 1.239905615073729
Energy: 1.413422090120595
Energy: 1.1187483238409133
Energy: 1.4134220837237061
Energy: 1.27266961794468
Energy: 1.672629489508556
Energy: 1.2330374852467259
Energy: 1.6726294895052483
Energy: 1.3524018989448212
Energy: 1.1778254576574154
Energy: 1.4631564660870169
Energy: 1.177825411137765
Energy: 1.1983318437802097
Energy: 1.3750311668797122
Energy: 1.201445458341478
Energy: 1.3750311669648494
Energy: 1.3874300168601599
Energy: 1.4615995618387483
Energy: 1.1867194332139548
Energy: 1.4615995618362676
Energy: 1.1927208308365003
Energy: 1.1819023333291625
Energy: 1.0911854870997584
Energy: 1.1819023333275087
Energy: 1.2516528147534085
Energy: 1.1943759689871098
Energy: 1.206281025350569
Energy: 1.194375968985456

minimum gb energy = 0.913122835131064 eV
minimum distance =  2.2782768711117 Angstroms
sigma value = 29


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

Energy: 1.1975390758438447
Energy: -2.491438910290317
Energy: 1.3365020897308417
Energy: 1.112941786832252
Energy: 1.0985837181865237
Energy: 1.0690173455625624
Energy: 0.823923486397141
Energy: 1.0690173457793342
Energy: 0.7997932907738854
Energy: 1.1323474176461465
Energy: 1.1210298852453007
Energy: 1.1323474176461465
Energy: 1.0908242500327032
Energy: 1.033105752897184
Energy: 0.8029938185506404
Energy: 1.0331057529900953
Energy: 0.8093078180284404
Energy: 1.2591080925127793
Energy: 1.0934027626594656
Energy: 1.2591080925119473
Energy: 0.8280687957828401
Energy: 1.1146483788409238
Energy: 1.1103290635454606
Energy: 1.1146483788572785
Energy: 1.1125805286566446
Energy: 1.1330622652627291
Energy: 0.8241210283474618
Energy: 1.1330622652641376
Energy: 0.8250652389464883
Energy: 0.9995683731976763
Energy: 1.0901924541443753
Energy: 0.9995683731999168
Energy: 1.098105357928632
Energy: 1.0419920015076238
Energy: 1.186413592304635
Energy: 1.0419920015070476

minimum gb energy = -2.491438910290317 eV
minimum distance =  2.30859653513222 Angstroms
sigma value = 5


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

Energy: 1.555752827346261
Energy: 1.0238235776174507
Energy: 1.3009989179059953
Energy: 1.2945941644805308
Energy: 1.317911511564463
Energy: 1.0402193816083185
Energy: 1.234444781998484
Energy: 1.0402193816059753
Energy: 1.2295630501134676
Energy: 1.2709796087364567
Energy: 1.23107394198147
Energy: 1.270979607970507
Energy: 1.1128440787762008
Energy: 1.3397669620510022
Energy: 1.2262322640020318
Energy: 1.3397669620502213
Energy: 1.2227137414494418
Energy: 1.0398809561450286
Energy: -3.2773422190003956
Energy: 1.0398809561442472
Energy: 1.0523202624027823
Energy: 1.0426019031817566
Energy: 1.2829598199690246
Energy: 1.0426019031817566
Energy: 1.079473799147652
Energy: 1.0744843405165578
Energy: 1.3586590811456456
Energy: 1.0744843405134334
Energy: 1.0517671058933953
Energy: 1.0334828072251507
Energy: 1.3512859353793365
Energy: 1.0334833460395854
Energy: 1.3454696388494871
Energy: 1.3015390541345186
Energy: 1.364054366366088
Energy: 1.3015390414761776
Energy: 1.3035591376322202
Energy: 1.0307983412947943
Energy: 1.0395012819367184
Energy: 1.030798341102703
Energy: 1.3226069709146175
Energy: 1.0420117924386907
Energy: 1.036811387689202
Energy: 1.0420117924379095
Energy: 1.3090764452509434
Energy: 1.0381543506448951
Energy: 1.0367268250309372
Energy: 1.0381543506347404
Energy: 1.3607935405531
Energy: 1.2992284375238663
Energy: 1.368924069378475
Energy: 1.299228437521523
Energy: 1.3480740780868006
Energy: 1.5550770487933496
Energy: 1.2140702025786918
Energy: 1.5550770487933496
Energy: 1.0649026771521872
Energy: 1.0712664455790917
Energy: 1.177460521451374
Energy: 1.0712664466792303
Energy: 1.0582325432003268
Energy: 1.03900521403813
Energy: 1.361226359366172
Energy: 1.0390052030819787
Energy: 1.0566153484616085
Energy: 1.054326491020489
Energy: 0.9680091271561291
Energy: 1.0543264910220513
Energy: 1.2315142705492257
Energy: 1.0421819778956345
Energy: 1.3377675170207515
Energy: 1.042181977897978
Energy: 1.2495108841882243
Energy: 1.1640546800511884
Energy: 1.2293296163063505
Energy: 1.1640546806547305
Energy: 1.2298961075201695
Energy: 1.3056707460343435
Energy: 1.111131589166094
Energy: 1.305670745998411
Energy: 1.0077991144723812
Energy: 1.0424612362663905
Energy: 1.2352471210029745
Energy: 1.042461236267953
Energy: 1.3125044762884441
Energy: 1.038974720860746
Energy: 1.0551881746698264
Energy: 1.038974720860746
Energy: 1.3594362670446871
Energy: 1.0676277101509755
Energy: 1.0817697299076756
Energy: 1.0676277101509755
Energy: 1.357001084154525
Energy: 1.0518969872779693
Energy: 1.0484618931693572
Energy: 1.0518970587203726
Energy: 1.3737009675435454
Energy: 1.2922821846330217
Energy: 1.334158905258065
Energy: 1.2922821846330217
Energy: 1.0409000615170052
Energy: 1.2838619962237665
Energy: 1.1698788602169843
Energy: 1.283861996747703
Energy: 1.0379613838178057
Energy: 1.040107884060797
Energy: 1.3491706749451553
Energy: 1.0401078840186149
Energy: 1.0384626844337688
Energy: 1.0497911023333981
Energy: 1.3119285749231901
Energy: 1.0497911023396476
Energy: 1.3638605197742464
Energy: 1.2777179481382472
Energy: 1.3898258709872822
Energy: 1.2777179481624625
Energy: 1.2277138384796387
Energy: 1.5359460708857813
Energy: 1.3347761676366672
Energy: 1.5359460708865624
Energy: 1.219540003819425
Energy: 1.0426661004849802
Energy: 1.05551367438365
Energy: 1.0426661004615456
Energy: 1.3630031348978318
Energy: 1.0633152847617102
Energy: 1.0559371925879102
Energy: 1.0633152846203937
Energy: 0.9643011922737431
Energy: 1.0342992889073914
Energy: 1.0595667470166181
Energy: 1.0342992889073914

minimum gb energy = -3.2773422190003956 eV
minimum distance =  2.29635979369636 Angstroms
sigma value = 1


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

Energy: 1.2237665903783106
Energy: 0.9297587113251499
Energy: 1.279765413193191
Energy: 1.269519222916343
Energy: 1.3752459596683326
Energy: 0.8215420848522609
Energy: 1.0365988631987657
Energy: 0.8215420843092337
Energy: 1.024502989047916
Energy: 0.9258532123557666
Energy: 1.025553672103022
Energy: 0.9258532099655831
Energy: 0.9401808978301147
Energy: 1.043646448335582
Energy: 1.0300217689859046
Energy: 1.0436464602973496
Energy: 1.033258430370803
Energy: 0.8087307428784247
Energy: 1.1776618083771704
Energy: 0.8087307430209442
Energy: 0.7900977313134457
Energy: 0.807303800495655
Energy: 1.1575968625993882
Energy: 0.8073038004978151
Energy: 0.8177417555055891
Energy: 0.8211546963424018
Energy: 1.197529008825708
Energy: 0.8211546965691173
Energy: 0.810932959702001
Energy: 0.8129454049370788
Energy: 1.1161039193019928
Energy: 0.8129454040345372
Energy: 1.0299341100198078
Energy: 1.210362132525897
Energy: 1.42777461470393
Energy: 1.2103621325248173
Energy: 1.1710049845400925
Energy: 1.2053613602809354
Energy: 1.0939705155837969
Energy: 1.205361360243133
Energy: 1.2789251272386073
Energy: 1.1708664296380962
Energy: 1.0851983710261985
Energy: 1.1708664293228646
Energy: 1.2125957154779266
Energy: 0.9635029958632423
Energy: 1.1058284837171255
Energy: 0.9635029958621621
Energy: 1.2165744446275595
Energy: 0.9555805766915502
Energy: 1.3581477956832555
Energy: 0.9555805766915502
Energy: 1.4105690646328688
Energy: 1.428683734822209
Energy: 1.3290468512433136
Energy: 1.4286837348189685
Energy: 1.113659076434838
Energy: 1.0305388920656244
Energy: -2.2777385922245434
Energy: 1.0305388920645442
Energy: 1.1204138518192717
Energy: -2.401202862316755
Energy: 1.219203866140727
Energy: -2.2963147262940464
Energy: 1.1500404351235507
Energy: 0.9752319569009826
Energy: 1.1013318480281395
Energy: 0.9752319568977426
Energy: 0.827584140486345
Energy: 0.8050307407434066
Energy: 1.1692472282318178
Energy: 0.8050307216833541
Energy: 1.0377340787957388
Energy: 0.8305778964244506
Energy: 1.1930507267380837
Energy: 0.8305778963802171
Energy: 0.8314518811214787
Energy: 1.084367270026344
Energy: 1.148104303637549
Energy: 1.0843670755746515
Energy: 1.1260676165643988
Energy: 0.9875761613362972
Energy: 1.4425468254936442
Energy: 0.9875761613254965
Energy: 1.1255297888390987
Energy: 0.809355686970257
Energy: 1.0100571356532764
Energy: 0.8093387080342045
Energy: 1.1773824892285143
Energy: 0.811600345136241
Energy: 1.0103956595511356
Energy: 0.8116003451718832
Energy: 1.1959463065230547
Energy: 0.7946927402043236
Energy: 0.9901406027848205
Energy: 0.7946927402064835

minimum gb energy = -2.401202862316755 eV
minimum distance =  2.32785494474289 Angstroms
sigma value = 17


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

Energy: 1.4345613423511379
Energy: 0.9290475341726498
Energy: 1.2616161662374923
Energy: 1.2372448520999138
Energy: 1.5195475065421498
Energy: 0.9606998993163501
Energy: 1.1216449887075828
Energy: 0.9606998993009961
Energy: 1.2628389898879784
Energy: 1.2311300270350627
Energy: 1.1526724400594455
Energy: 1.2311300270363978
Energy: 1.3025074860628367
Energy: 1.4106009901616046
Energy: 1.1289152777866236
Energy: 1.4106009901616046
Energy: 1.2856872978865481
Energy: 0.931833693877777
Energy: 1.375793962651607
Energy: 0.9318336938757744
Energy: 0.9384596109007896
Energy: 0.946113390758282
Energy: 1.5061231874715908
Energy: 0.9461133908030089
Energy: 0.9366865757460322
Energy: 0.9365206830632535
Energy: 1.5120694641895331
Energy: 0.9365206830632535
Energy: 0.9443752572666876
Energy: 0.9304296956402298
Energy: 1.4838670043878648
Energy: 0.9304296956408975
Energy: 1.4180025624963848
Energy: 0.9417868493943125
Energy: 1.4928469715124462
Energy: 0.9417868493769557
Energy: 1.1363685104141092
Energy: 1.1957440021196046
Energy: 1.1222615532563498
Energy: 1.1957440021916408
Energy: 1.4094658518090062
Energy: 1.2481317915669694
Energy: 0.9921860095056915
Energy: 1.2481317915663017
Energy: 1.4799701415627378
Energy: 0.9458463931385559
Energy: 1.1217052862976657
Energy: 0.9458463931385559
Energy: 1.4605366989201753
Energy: 0.9324766515033911
Energy: 0.9614917168807061
Energy: 0.9324766515033911
Energy: 1.5200564766492615
Energy: 0.9591312498474874
Energy: 0.9730413949847403
Energy: 0.9591312499215267
Energy: 1.2601594904621765
Energy: 0.962075678287163
Energy: 0.9588298226318753
Energy: 0.9620756782978442
Energy: 1.5557653234980702
Energy: 1.2940453873080675
Energy: 1.531145345141796
Energy: 1.2940453873080675
Energy: 0.9690092854930761
Energy: 1.1897747782407624
Energy: 1.3696305604260912
Energy: 1.18977477420047
Energy: 0.9669730573392541
Energy: 0.9616168572490137
Energy: 1.5297538957842882
Energy: 0.9616168572550217
Energy: 0.9646836558298381
Energy: 0.9546695583134245
Energy: 1.4491174980855281
Energy: 0.9546695583134245
Energy: 1.1563986040104004
Energy: 0.9407696745713188
Energy: 1.4389996077599736
Energy: 0.9407696745719862
Energy: 1.1273100711082729
Energy: 0.9602787943284478
Energy: 1.527765812158928
Energy: 0.9602789125979864
Energy: 1.130452612566394
Energy: 1.3700712827362576
Energy: 1.2592563671578525
Energy: 1.3700712827315846
Energy: 1.142064510038831
Energy: 1.3892478360805343
Energy: 1.2938228082943615
Energy: 1.389247836076529
Energy: 1.3698276578064261
Energy: 0.9237881441556554
Energy: 1.293331191233651
Energy: 0.9237881441563229
Energy: 1.5018094519392111
Energy: 0.9414667887880075
Energy: 0.9408064316768139
Energy: 0.941466788782667
Energy: 1.4936385561030137
Energy: 0.9406149408817199
Energy: 0.9476952038755856
Energy: 0.9406149408823875
Energy: 1.477454632158972
Energy: 0.9376840487438722
Energy: 0.9521302287455023
Energy: 0.9376840405751687
Energy: 1.4862215085264776
Energy: 0.9363522248750374
Energy: 1.4201749263330319
Energy: 0.9363522245941136
Energy: 1.1260025968019383
Energy: 1.218548393420184
Energy: 1.147080682706017
Energy: 1.2185483934315329
Energy: 0.9854889485466173
Energy: 1.2443288959196526
Energy: 1.4115321963969636
Energy: 1.2443288959169823
Energy: 1.1259321012352492
Energy: 0.9309570914115978
Energy: 1.4930652328633673
Energy: 0.9309570914182733
Energy: 0.9636864388606687
Energy: 0.9326312044609862
Energy: 1.485783194768512
Energy: 0.9326312044469673
Energy: 0.96543034715507
Energy: 0.9532534342708604
Energy: 1.5415249858730848
Energy: 0.9532534342675226
Energy: 0.9579244909560449
Energy: 0.9429977376259446
Energy: 1.3020175638263438
Energy: 0.9429984569333844
Energy: 1.537657744353379
Energy: 0.9879627404450466
Energy: 1.5395931891954306
Energy: 0.987962740438371
Energy: 1.3718154943799987
Energy: 0.9365014100163827
Energy: 0.9714556828947964
Energy: 0.9365014538900438
Energy: 1.5236045339060562
Energy: 0.9635299354735433
Energy: 0.9861374198190951
Energy: 0.963529931142981
Energy: 1.4673315464630974
Energy: 0.9496248710643834
Energy: 0.9581683692578766
Energy: 0.9496248710597105

minimum gb energy = 0.9237881441556554 eV
minimum distance =  2.28314111224187 Angstroms
sigma value = 89


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

Energy: -1.3332516519172872
Energy: 0.8515016002854788
Energy: 0.6640186410596112
Energy: 0.6553315114803949
Energy: 1.626255020973121
Energy: 0.7537094215052238
Energy: 1.0002590881618645
Energy: 0.7537094215052238
Energy: 0.8731705721776739
Energy: 0.7419100112357309
Energy: 1.0098799077619103
Energy: 0.7419100112339841
Energy: 0.8463366799787979
Energy: 0.7677691860004731
Energy: 1.290130532360971
Energy: 0.7677691860004731
Energy: 0.6274298115730802
Energy: 0.6585208616854258
Energy: 1.042282974343465
Energy: 0.6585208616888795
Energy: 0.668703537619151
Energy: 0.6391983571498956
Energy: 1.1983319295941803
Energy: 0.6391983571516423
Energy: 0.6526283754936014
Energy: 0.6790454367710371
Energy: 1.2884401923912918
Energy: 0.6790454368112112
Energy: 0.6804013780321676
Energy: 0.6682383621978818
Energy: 1.38669465408931
Energy: 0.6682383616810976
Energy: 1.037175307706782
Energy: 0.6862968147304304
Energy: 1.6203277863922323
Energy: 0.6862968147286836
Energy: 1.0244780725966138
Energy: 0.7522439170952049
Energy: 0.6817940200331484
Energy: 0.7522439170969517
Energy: 1.0082205363445584
Energy: 0.7586641172637316
Energy: 0.8594824426557706
Energy: 0.7586641172637316
Energy: 1.2130356524490487
Energy: 0.6462282264174756
Energy: 0.6810261078642099
Energy: 0.6462282264262091
Energy: 1.1855027247550884
Energy: 0.6614842727580356
Energy: 0.6554753578664431
Energy: 0.6614842727580356
Energy: 0.6778387152425143
Energy: 0.6557442298081201
Energy: 0.6700667615598086
Energy: 0.6557442298081201
Energy: 1.673026301988276
Energy: 0.6833049083694683
Energy: 0.6655158979006531
Energy: 0.6833049083694683

minimum gb energy = -1.3332516519172872 eV
minimum distance =  2.35031912298934 Angstroms
sigma value = 13


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

Energy: 1.324843919834682
Energy: 0.7430510890478338
Energy: 1.1399577296945482
Energy: 0.7756232005530036
Energy: 1.4575132406079048
Energy: 0.7661127705038784
Energy: 0.9642330597941519
Energy: 0.766112770312932
Energy: 1.4642191217686378
Energy: 1.0257264879583212
Energy: 0.9545857955131636
Energy: 1.0257264879685708
Energy: 1.1260908831659446
Energy: 1.1505639410434205
Energy: 0.9621861749726441
Energy: 1.1505639410441526
Energy: 1.1494081099556508
Energy: 1.0388830835979528
Energy: 1.2990067516715038
Energy: 1.0388831031891526
Energy: 0.953687341507583
Energy: 0.7599577168874145
Energy: 1.2599910326531392
Energy: 0.7599577172584586
Energy: 0.9608888353849955
Energy: 0.764108868270131
Energy: 1.1400775767990154
Energy: 0.7641088689002073
Energy: 0.9546254488307584
Energy: 0.7602616408927754
Energy: 1.568589792124396
Energy: 0.7602616495219654
Energy: 0.7759180434484219
Energy: 0.7615328892652343
Energy: 1.5904484092433038
Energy: 0.7615328892593776
Energy: 0.7631678648394344
Energy: 0.7652730621305515
Energy: 1.1467986895518918
Energy: 0.7652730621371404
Energy: 0.7741445486638051
Energy: 0.7600669823940105
Energy: 1.4318207986200535
Energy: 0.7600669824115811
Energy: 1.315154470627881
Energy: 1.1124923143485168
Energy: 1.153227698359657
Energy: 1.1124923143133758
Energy: 1.303481940624688
Energy: 1.252848066991859
Energy: 1.303927037888341
Energy: 1.252848066980145
Energy: 1.303949204971593
Energy: 1.0112821518483566
Energy: 1.1380612192166009
Energy: 1.0112821514919543
Energy: 1.5919424538464757
Energy: 0.7590591466385809
Energy: 1.1793179855108864
Energy: 0.7590591472569435
Energy: 1.605879555264996
Energy: 0.748847771546268
Energy: 0.7847392316588506
Energy: 0.7488477604004999
Energy: 1.4281227886934356
Energy: 0.7675301804526512
Energy: 0.7728143455954251
Energy: 0.7675301804541154
Energy: 1.3519449661961163
Energy: 0.7567730148113614
Energy: 0.7534896703603052
Energy: 0.7567730148128257
Energy: 1.7322655912676654
Energy: 0.7719759535569016
Energy: 0.9478744854237264
Energy: 0.7719759535714772
Energy: 1.2944230703560695
Energy: 0.7652787865205793
Energy: 0.97079567215721
Energy: 0.765278785897092
Energy: 1.224220006668679
Energy: 1.000053962478167
Energy: 0.9816039717988957
Energy: 1.0000539636088035
Energy: 1.3642233357566171
Energy: 0.8094858832828667
Energy: 1.2743995785513598
Energy: 0.809485883190688
Energy: 0.9599536423365298
Energy: 0.7759114585135409
Energy: 1.2759603241569086
Energy: 0.7759121018624362
Energy: 0.7587775641925647
Energy: 0.7594065179398912
Energy: 1.131483870058244
Energy: 0.759406517966979
Energy: 0.9496479668219341
Energy: 0.735490533336894
Energy: 1.5592372209507828
Energy: 0.7354905333346976
Energy: 0.7544982013623646
Energy: 0.7366596084990701
Energy: 1.559315493996425
Energy: 0.7366596084910169
Energy: 0.773488769572223
Energy: 0.7613221651806634
Energy: 1.2854614264241169
Energy: 0.7613221651828596
Energy: 0.7843070951953016
Energy: 0.7747029069423153
Energy: 1.42432166307015
Energy: 0.7747029067718013
Energy: 1.3338497227352566
Energy: 0.7406407397542205
Energy: 1.1080490371580998
Energy: 0.7406407384962642
Energy: 0.9412695559740397
Energy: 1.2338601666970788
Energy: 1.3110761377015516
Energy: 1.233860166698543
Energy: 1.296353450197644
Energy: 1.3207770092502953
Energy: 1.2172174883486482
Energy: 1.3207770092554199
Energy: 1.5975962055110549
Energy: 0.7534464844547715
Energy: 1.1536773494871875
Energy: 0.753446484507483
Energy: 1.601269988232687
Energy: 0.749963769172592
Energy: 0.772616613992741
Energy: 0.7499637691762525
Energy: 1.471218698182248
Energy: 0.7634872585478755
Energy: 0.7636358608830195
Energy: 0.7634872585420186
Energy: 1.7360634475855863
Energy: 0.7493678961766292
Energy: 0.7579434167178779
Energy: 0.7493678961780935

minimum gb energy = 0.7354905333346976 eV
minimum distance =  2.26897830750481 Angstroms
sigma value = 37


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

Energy: -1.3408789955153444
Energy: 0.5470697318296699
Energy: 0.5625326128178411
Energy: 0.5117037391869449
Energy: 1.2022180004040128
Energy: 0.841832301065145
Energy: 0.8203515515908824
Energy: 0.8418323010034551
Energy: 1.2157898256371085
Energy: 0.826025138979857
Energy: 0.8113940126184266
Energy: 0.826025138979857
Energy: 1.1937653860743611
Energy: 0.6351537561344549
Energy: 0.9814793112217011
Energy: 0.6351537562062213
Energy: 1.0968287376711479
Energy: -1.8903393488511677
Energy: 0.9946861635021432
Energy: -1.8316173628000054
Energy: 0.6805233033253086
Energy: 0.7640196586184905
Energy: 1.178106155816294
Energy: 0.7640196586675849
Energy: 0.6677375232875888
Energy: 0.772050901066467
Energy: 1.0710460827448396
Energy: 0.7720509010677264
Energy: 0.7931446566889557
Energy: 0.5374322633165199
Energy: 1.474656997494969
Energy: 0.5374322660661995
Energy: 0.6624736653072645
Energy: 0.5260642267055529
Energy: -1.3935019893281246
Energy: 0.5260642286532068
Energy: 0.6520314396438122
Energy: 0.5227000532913227
Energy: 1.3140317957054437
Energy: 0.5227000525976194
Energy: 0.7164474046369448
Energy: 0.7099592780469902
Energy: 1.4504256545238374
Energy: 0.7099592782433959
Energy: 0.9584056980881179
Energy: 0.8327129903515151
Energy: 1.0701135433200575
Energy: 0.8327129903515151
Energy: 0.9501047808819318
Energy: 0.8380188998976328
Energy: -1.686134971158578
Energy: 0.8380188999744375
Energy: 1.0966581136408926
Energy: -2.02081065401563
Energy: 1.1944443568510585
Energy: -2.0098376831568405
Energy: 0.9946861635034027
Energy: -1.8443964649371107
Energy: 1.112739440868904
Energy: -1.9191212309489944
Energy: 1.1781061554813939
Energy: 0.7988358994089636
Energy: 0.6865677744925799
Energy: 0.7988358994089636
Energy: 1.0719939168415666
Energy: 0.5393616621156689
Energy: 0.6808481202882136
Energy: 0.5393617215619807
Energy: 1.4746569969976715
Energy: 0.6733685824452018
Energy: 0.7202415047738705
Energy: 0.6733685030713995
Energy: -1.530123429216858
Energy: 0.5148983908360474
Energy: 0.5728335292958442
Energy: 0.514898389845202
Energy: 1.457286735774474
Energy: 0.510877262981852
Energy: 0.5366044498787483
Energy: 0.510877262981852

minimum gb energy = -2.02081065401563 eV
minimum distance =  2.30315593872645 Angstroms
sigma value = 25


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

Energy: 1.8216884764442043
Energy: 0.38542854496617573
Energy: 0.3690371796837164
Energy: 0.3539770745988005
Energy: 1.2310215459404745
Energy: 0.3245022537535849
Energy: 0.5776890886803587
Energy: 0.3245022537643592
Energy: -2.430935161633501
Energy: -2.8546662876862965
Energy: 0.5501925430124884
Energy: -2.823259791538589
Energy: 0.8180954952856998
Energy: -2.748045288812207
Energy: 0.8284985254574678
Energy: -2.6928424784616625
Energy: 1.6252386484709016
Energy: 0.648521512030245
Energy: -2.6298926146919253
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Energy: -2.775959910951924
Energy: -2.8418976644572274
Energy: -2.6133478082811368
Energy: -2.885660946894152
Energy: 1.0722620712655129
Energy: 1.2001183422242998
Energy: 1.0112998473503394
Energy: 1.2001183422252835
Energy: 0.8482863491681614
Energy: 0.6264201464697852
Energy: 1.0277972207969268
Energy: 0.6264201464697852
Energy: 0.5463403123674289
Energy: 0.3164571597266549
Energy: 1.5885034436745544
Energy: 0.31645714007121517
Energy: 0.566170968705719
Energy: -2.931344785068898
Energy: -2.2799759644540067
Energy: -2.782086868611381
Energy: 0.37030907015666154
Energy: 0.335232034072736
Energy: 1.1089013271601293
Energy: 0.33523203373457283
Energy: 0.30340029376987204
Energy: 0.3292051960708279
Energy: -2.3006662443283834
Energy: 0.3292051960629595
Energy: 0.33108248759431275
Energy: 0.33426299390424524
Energy: 1.2337585080696316
Energy: 0.33426299390424524
Energy: 0.6307096305256557
Energy: 0.34502792584574965
Energy: 1.240254601601634
Energy: 0.34502792709526325
Energy: 0.5574483495033641
Energy: 0.3375339093731118
Energy: -2.3585058049185164
Energy: 0.3375339089011856
Energy: 0.5759867790701829
Energy: 0.6003779156975355
Energy: -2.3459304956023583
Energy: 0.6003779156995026
Energy: 1.3691049204178154
Energy: 0.6409679900184537
Energy: -2.3783516800393927
Energy: 0.6409679892005408
Energy: 0.5744943199683081
Energy: -2.734382387979486
Energy: 1.0609589789818121
Energy: -2.733421810054909
Energy: -2.6198394592424528
Energy: -2.8433451724443253
Energy: -2.6805203449257164
Energy: -2.8696084907612116
Energy: 1.6060620761008275
Energy: 1.204965991522706
Energy: 1.0821044214942321
Energy: 1.204965991522706
Energy: 1.4928621028500766
Energy: 0.656913637328135
Energy: 0.569735608358813
Energy: 0.6569136368139608
Energy: -2.2597360558828012
Energy: 0.5919683681162834
Energy: 0.31765060124854316
Energy: 0.5919683681152998
Energy: 1.75527307487643
Energy: 0.3126485230160893
Energy: 0.56482046118488
Energy: 0.3126485230141222
Energy: 1.0523958011194203
Energy: 0.3308394570888026
Energy: 0.3314552685012808
Energy: 0.330839495430302
Energy: 1.5897807581890686
Energy: 0.32740543567639424
Energy: 0.3273582002133935
Energy: 0.32740543567836133
Energy: -2.3654150038861723
Energy: 0.3268550350738022
Energy: 0.3375419066643525
Energy: 0.3268550350738022

minimum gb energy = -2.931344785068898 eV
minimum distance =  2.33532000418543 Angstroms
sigma value = 41


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

Energy: -2.8520381193945235
Energy: 0.21697646725663983
Energy: 0.8666480595570795
Energy: 0.21287064362698518
Energy: 1.7753374777931168
Energy: 0.6853944637013089
Energy: 0.6835263592301686
Energy: 0.6853944637537217
Energy: 1.7345529339459276
Energy: -3.7555412836440425
Energy: 0.3592522603498611
Energy: -3.7629669740265768
Energy: 1.2369446873442331
Energy: 0.8044617359221445
Energy: 1.1633162526203364
Energy: 0.8044617359189191
Energy: 1.566583170744923
Energy: 0.7820701102139123
Energy: 1.1069337772175156
Energy: 0.7820701102171379
Energy: 1.3096055092567191
Energy: 1.06405013301536
Energy: 1.1144527361049013
Energy: 1.0640501330169727
Energy: 1.287015852893533
Energy: 1.0996662054291613
Energy: 1.55501916875208
Energy: 1.0996662054299677
Energy: 1.3931382322688257
Energy: 1.084117739802385
Energy: 1.0639937516550289
Energy: 1.0841177398039976
Energy: 0.8807319798253348
Energy: 1.0593738954485215
Energy: 1.5207176181352775
Energy: 1.0593738954485215
Energy: 0.8822873315913509
Energy: 1.0231377728469417
Energy: 1.7967952665857432
Energy: 1.0231377728469417
Energy: 0.39724079654564415
Energy: -3.4887289359182554
Energy: 1.4364555086843485
Energy: -3.4887289352098394
Energy: 0.6620560333289714
Energy: 0.7438791274079186
Energy: 1.7475279535191368
Energy: 0.7438791273240579
Energy: 0.6528645122390051
Energy: 0.18725480488847893
Energy: 1.8664928577320654
Energy: 0.18725479170646472
Energy: 0.21412289878153398
Energy: 0.19044092419942116
Energy: 1.3957306313161115
Energy: 0.19044092588315636
Energy: 0.17829731212148472
Energy: 0.13338304017777725
Energy: 1.732924358429254
Energy: 0.1333828353200036
Energy: 0.19314247341110716
Energy: 0.17521256362940557
Energy: 1.6361019664956569
Energy: 0.1752125636237611
Energy: 0.4121712153113263
Energy: 0.20038051349087196
Energy: 1.617204807935531
Energy: 0.20038030464994186
Energy: 0.6650892694103135
Energy: 0.6959822977200484
Energy: 1.808168454940827
Energy: 0.6959822977248864
Energy: 0.6809685291052899
Energy: 0.7229064264146345
Energy: 1.2259232964787579
Energy: 0.7229064265186537
Energy: 1.1337744378617203
Energy: 0.9989049817900929
Energy: 1.2368193263492449
Energy: 0.9989049817900929
Energy: 1.0872139572336184
Energy: 1.054625865519783
Energy: 1.5575252874003245
Energy: 1.0546258655205896
Energy: 1.1117994595857053
Energy: 1.0636921284070926
Energy: 1.2777741203630308
Energy: 1.0636921284070926
Energy: 1.5326265566908117
Energy: 1.0931636974909336
Energy: 1.3070367191276584
Energy: 1.09316369749174
Energy: 1.0619472486796702
Energy: 1.0916611610111913
Energy: 1.1167508960395511
Energy: 1.0916611610095786
Energy: 1.5705326712801018
Energy: 1.0374278986228826
Energy: 0.872089727962126
Energy: 1.0374278986236891
Energy: 1.4869864472168752
Energy: 1.0272192371901825
Energy: 1.1403447332124474
Energy: 1.0272192371901825
Energy: 1.433409774931621
Energy: 0.43585352740812766
Energy: 0.3713060118560825
Energy: 0.4358535273847435
Energy: 1.7636356817771561
Energy: 0.1901388321194513
Energy: 0.6706096828093221
Energy: 0.19013891391002835
Energy: 1.3986923209957751
Energy: 0.19473123191297578
Energy: 0.404449685282932
Energy: 0.19473123245220503
Energy: 1.3918971768302262
Energy: 0.17287235507332843
Energy: 0.1783910946196979
Energy: 0.17287235504994425
Energy: 1.7537232828750493
Energy: 0.4252589181992223
Energy: 0.1749870972591917
Energy: 0.4252589181968032
Energy: 1.605188571723471
Energy: 0.1919568315670472
Energy: 0.21075850051135328
Energy: 0.19195683160084065

minimum gb energy = -3.7629669740265768 eV
minimum distance =  2.32281461932148 Angstroms
sigma value = 15


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

Energy: 1.3417624351522228
Energy: 0.10658549028961237
Energy: 0.8825028003367219
Energy: 0.08687867119053666
Energy: 1.8167612457688667
Energy: 0.36145642645153386
Energy: 0.5754239668009733
Energy: 0.36145642648699255
Energy: 1.813358081225498
Energy: 0.6250527040424647
Energy: 0.5550825910295538
Energy: 0.6250527040397325
Energy: 1.4074335714435957
Energy: 0.6196005761339791
Energy: 0.9925002977591926
Energy: 0.6196003580926132
Energy: 1.7221422950313854
Energy: 0.646434226686157
Energy: 0.9251135806645807
Energy: 0.6464342268377415
Energy: 1.4677149797835316
Energy: 0.9326489863006593
Energy: 0.9323280851177024
Energy: 0.9326489862999764
Energy: 1.041066552585871
Energy: 0.9651145763471439
Energy: 1.314065616612672
Energy: 0.9651145763485101
Energy: 1.3009186360502183
Energy: 0.9905565065387774
Energy: 0.8847818067597115
Energy: 0.9905565065394603
Energy: 1.0947374102014764
Energy: 1.000000856291532
Energy: 1.3282105056464524
Energy: 1.0000008562894827
Energy: 1.0930695940342987
Energy: 0.9772076848382995
Energy: 1.7003491217889375
Energy: 0.9772076848369332
Energy: 1.0140732546889648
Energy: 0.9637854495910796
Energy: 1.2258100640407998
Energy: 0.9637854495897133
Energy: 0.7350133867877696
Energy: 0.912586415816936
Energy: 1.6690527843061742
Energy: 0.9125864158176191
Energy: 0.9490584651711472
Energy: 0.8694437525164953
Energy: 1.631564466146864
Energy: 0.8694437525096643
Energy: 0.5717665670460159
Energy: 0.6255664784452036
Energy: 1.1712140776874758
Energy: 0.6255664760690957
Energy: 0.5582257918326934
Energy: 0.6410352037814734
Energy: 1.8580161669575164
Energy: 0.641035203780107
Energy: 0.578699402577585
Energy: 0.3551669784061438
Energy: 1.5734761074745869
Energy: 0.3551622972529104
Energy: 0.3889822817188861
Energy: 0.3482835391440708
Energy: 1.5539210938617718
Energy: 0.34828353915773264
Energy: 0.3674095604485044
Energy: 0.34257561408654247
Energy: 1.835039392496306
Energy: 0.3425756140824439
Energy: 0.3749350523401004
Energy: 0.3453555486713867
Energy: 1.3316722841423239
Energy: 0.345355550517663
Energy: 0.5698104818050599
Energy: 0.3625372939391404
Energy: 1.7494670116289188
Energy: 0.36253729166139775
Energy: 0.5566103018239851
Energy: 0.35647479350959227
Energy: 1.8679849159686877
Energy: 0.3564748167456222
Energy: 0.5657535936559249
Energy: 0.6153521097823055
Energy: 1.3956511122986828
Energy: 0.6153521363312123
Energy: 0.9462914553488537
Energy: 0.6520213887658074
Energy: 1.403302377613148
Energy: 0.6520213889193791
Energy: 0.9477160164675381
Energy: 0.924809889043428
Energy: 1.7492446030132252
Energy: 0.9248098890427447
Energy: 0.9419094279216337
Energy: 0.9663088292757094
Energy: 1.0334468053729933
Energy: 0.9663088292770756
Energy: 1.306690466582803
Energy: 0.9901979983224252
Energy: 1.6854356615518034
Energy: 0.9901979983224252
Energy: 0.8910847437950948
Energy: 0.9825829024316117
Energy: 1.32845569806026
Energy: 0.9825829024302455
Energy: 1.4205522455681252
Energy: 0.9624175635474642
Energy: 1.0799924542195434
Energy: 0.9624175635481473
Energy: 1.2533673121170668
Energy: 0.9706117918323962
Energy: 1.3704507528548913
Energy: 0.9706117918310301
Energy: 1.241728784298527
Energy: 0.9634548661327514
Energy: 0.9351325535048622
Energy: 0.9634548661341177
Energy: 1.7062935459233168
Energy: 0.8895767023447777
Energy: 0.7331505850091181
Energy: 0.8895767023447777
Energy: 1.1849772028576802
Energy: 0.833824350479326
Energy: 0.9896907834554495
Energy: 0.833824350465664
Energy: 1.630188728669245
Energy: 0.6332042978093794
Energy: 0.5677228791384257
Energy: 0.6332042979834439
Energy: 1.889070678229746
Energy: 0.35216221541137516
Energy: 0.5657961485790746
Energy: 0.3521622153704517
Energy: 1.5258070335271363
Energy: 0.09257352441670529
Energy: 0.39211031752214276
Energy: 0.09257353113194433
Energy: 1.8761853037706708
Energy: 0.34930359562536856
Energy: 0.3787198428371474
Energy: 0.3493035956233193
Energy: 1.7829938522390192
Energy: 0.35618980513813586
Energy: 0.35976073958749344
Energy: 0.356189805147016

minimum gb energy = 0.08687867119053666 eV
minimum distance =  2.30746130904703 Angstroms
sigma value = 85


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

Energy: 1.3661767526335056
Energy: 0.1753942332745078
Energy: 0.7433494067270683
Energy: 0.17860227848864124
Energy: 1.640908017666759
Energy: 0.19334320984675463
Energy: 0.3544075870559786
Energy: 0.19334301631011017
Energy: -1.589660870635243
Energy: 0.39321955866655894
Energy: 0.34198426993305026
Energy: 0.3932195588732424
Energy: 1.0393504668095779
Energy: 0.4016313056991822
Energy: 0.7155171487573101
Energy: 0.40163130571636324
Energy: 1.5017788204913651
Energy: 0.41168636388189955
Energy: -2.270306224587975
Energy: 0.41168637069321795
Energy: -1.8154970903409715
Energy: -2.192820223043665
Energy: 0.6309471045355493
Energy: -2.1928202565506543
Energy: 1.039010498913429
Energy: -2.1594544561185494
Energy: -1.7410371531837419
Energy: -2.1594530049591216
Energy: 1.2174093843042135
Energy: -2.152858464813111
Energy: 0.6248025863221977
Energy: -2.152862145679031
Energy: -1.7823820530240515
Energy: -2.163917696547144
Energy: -1.879097595994961
Energy: -2.1639177085382877
Energy: -1.9521447992969476
Energy: -2.1349683336177114
Energy: -1.6721658297521387
Energy: -2.134968340260236
Energy: 0.9493711681325827
Energy: -2.0475665736917885
Energy: 0.8999383912241955
Energy: -2.0475691065193216
Energy: 0.7574240098527333
Energy: -2.137143197902197
Energy: -1.6205423192963535
Energy: -2.137143199372006
Energy: 0.9192104941222871
Energy: -2.2486655567797937
Energy: -1.739766809774175
Energy: -2.249297684498057
Energy: 0.6480134548468567
Energy: -2.175730971343377
Energy: 0.8936210860834598
Energy: -2.1757086192383297
Energy: 0.48505655358210537
Energy: 0.5917923186701323
Energy: -1.389073892828793
Energy: 0.5917923186707248
Energy: 0.6435711145596879
Energy: -2.2531875471054335
Energy: -1.7975705993766584
Energy: -2.2531855948161756
Energy: 0.347963645371906
Energy: 0.39597943634304883
Energy: -1.6774830811379384
Energy: 0.3959794338191404
Energy: 0.34408200759028545
Energy: 0.17601556167998061
Energy: -1.2681539830718658
Energy: 0.17601555809192826
Energy: 0.3758582039992429
Energy: 0.18730945475683683
Energy: -1.5320871266389997
Energy: 0.18730945525247328
Energy: 0.21530885054472063
Energy: 0.1824220938018844
Energy: -1.3401176843151248
Energy: 0.1824220935964128
Energy: 0.2013536712029771
Energy: 0.1850547000441486
Energy: -1.2473681810126465
Energy: 0.18505470041248956
Energy: 0.18379467845685482
Energy: 0.1688659874091453
Energy: 1.3195530059859315
Energy: 0.1688659860121803
Energy: 0.36213882623964705
Energy: 0.19358629017493742
Energy: -1.281341182412938
Energy: 0.19358629014590745
Energy: 0.3332454777251768
Energy: 0.16938163304372056
Energy: -1.2421940311294424
Energy: 0.16938163244443266
Energy: 0.3632841565087834
Energy: 0.40238060258704933
Energy: 1.050691765163158
Energy: 0.40238060413145305
Energy: 0.6214114986801635
Energy: 0.41727315532511977
Energy: 1.6685772370432606
Energy: 0.41727315536185156
Energy: 0.6280615559255661
Energy: -2.220697846261606
Energy: -1.5908595883811003
Energy: -2.220739030214608
Energy: 0.801898562444066
Energy: -2.1550399899391364
Energy: 1.0369173794742172
Energy: -2.156868330177598
Energy: 0.9023762156737464
Energy: -2.279417539798931
Energy: 1.3769195006053507
Energy: -2.2422689952454684
Energy: 0.8778871291756593
Energy: -2.172126650423658
Energy: -1.928784863771983
Energy: -2.172134583516675
Energy: -1.6841091608238214
Energy: -2.1128084904476103
Energy: 0.7643317943357802
Energy: -2.1128084910978218
Energy: 0.8610493548471246
Energy: -2.17471653294253
Energy: 1.1171371732199253
Energy: -2.1726464154577
Energy: -1.7419921920496326
Energy: -2.307611704764376
Energy: 0.7633957669696395
Energy: -2.2019986023084783
Energy: -1.424284853082788
Energy: -2.147998420735479
Energy: -2.0794054396474793
Energy: -2.1479984207597425
Energy: 0.9020049632922096
Energy: -2.070809254973908
Energy: 0.8106625889214149
Energy: -2.070810745185555
Energy: -1.4359067620879657
Energy: -2.2153502215449383
Energy: 0.6401047425740629
Energy: -2.2152545612021743
Energy: -1.5399448434544063
Energy: 0.37857531778561904
Energy: -2.1676956436479835
Energy: 0.3785761857425351
Energy: 1.1750554207796888
Energy: 0.1797652545727511
Energy: 0.3563795247065128
Energy: 0.1684243969070733
Energy: 1.6442255371057388
Energy: 0.1757597283159722
Energy: 0.34799598423299793
Energy: 0.17579311262595335
Energy: -1.4290528662271698
Energy: 0.20326078907570344
Energy: 0.35507865215351975
Energy: 0.20326077700756878
Energy: 1.1928613720600196
Energy: 0.18092404139379584
Energy: 0.19646031085026439
Energy: 0.18092403705839752
Energy: -1.2766733616428119
Energy: 0.18567299715224192
Energy: 0.2045278426231263
Energy: 0.18567299715105703
Energy: -1.5420279506939607
Energy: 0.1730483753947597
Energy: 0.20542626689357776
Energy: 0.1730483972291808

minimum gb energy = -2.307611704764376 eV
minimum distance =  2.3177604802369 Angstroms
sigma value = 113


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

Energy: 0.018936181962735985
Energy: 0.2016468908114701
Energy: 1.2698298370636543
Energy: -0.19577281721201722
Energy: -0.012082157410442562
Energy: 0.07446240879823854
Energy: -2.5424617565208316
Energy: 0.0744624088369512
Energy: -0.03661680629729382
Energy: 0.08767380651214696
Energy: -2.511640794376901
Energy: 0.08767380651305787
Energy: -0.009840341270149442
Energy: 0.1269902699881336
Energy: -2.4325044382782783
Energy: 0.12699026998944932
Energy: -2.456386579381956
Energy: 0.09324975758339503
Energy: -2.4371717464876133
Energy: 0.0932497575829396
Energy: -0.05854565129769776
Energy: -3.4328638199385706
Energy: -2.4614302724692254
Energy: -3.4328638199100796

minimum gb energy = -3.4328638199385706 eV
minimum distance =  2.39450960860317 Angstroms
sigma value = 1