Model name: model_name=EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_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=3.658403038978577
cohesive_energy=3.8927084030558796
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: 0.014678219374687744
Energy: 0.01524061467160431
Energy: -0.1432632014377264
Energy: 0.01524061467160431
Energy: 0.015240614672216735
Energy: 1.0879155845183583
Energy: 0.015240614672216735
Energy: 1.087915584518971
Energy: -0.1432632014383388
Energy: 0.015240614672216735
Energy: 0.014678219374687744
Energy: 0.015240614672795132
Energy: 0.015240614671025913
Energy: 1.087915584518971
Energy: 0.015240614672216735
Energy: 1.087915584518971

minimum gb energy = -0.1432632014383388 eV
minimum distance =  2.49821125358813 Angstroms
sigma value = 1


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

Energy: -2.6649174776467204
Energy: 0.7370716813315418
Energy: 0.2956299271444934
Energy: 0.7370716813330271
Energy: -2.229339227738908
Energy: -2.397075424654823
Energy: -2.33146537168995
Energy: -2.3721506509671855
Energy: 0.23194441498782398
Energy: 0.7132096949670348
Energy: -2.3932566985801187
Energy: 0.7132096949677774
Energy: -2.1322140915123438
Energy: 0.6761078275122837
Energy: -2.6425640671686024
Energy: 0.676107827511541
Energy: -1.8979620528337973
Energy: 0.7284730276345378
Energy: -2.124771976170495
Energy: 0.7284730276352805
Energy: -2.274162590146714
Energy: 0.903486173245245
Energy: -2.1331914844149193
Energy: 0.9034861732415315
Energy: -2.455136591050684
Energy: 0.6994786308995565
Energy: -2.504918694207855
Energy: 0.6994786309129257
Energy: -2.159584064099782
Energy: 0.7319339933393972
Energy: 0.33112407446117015
Energy: 0.7319339933379118
Energy: -2.252932986014533
Energy: -1.833430189774011
Energy: -2.1459668916600547
Energy: -1.7542681616495557
Energy: -2.225152999033384
Energy: 0.7138194321817943
Energy: 0.2518407115232382
Energy: 0.7138194321847653
Energy: -2.274071294181991
Energy: -2.0716429090881974
Energy: -2.4525195256938614
Energy: -2.2933394727184937
Energy: 0.291954743175215
Energy: 0.7371187277132631
Energy: -2.2690645394176645
Energy: 0.7371187277140059
Energy: -2.312491927663406
Energy: 0.7072307076042764
Energy: -2.560849352498683
Energy: 0.7072307076035336
Energy: -2.4664766413900336
Energy: 0.7140482707983763
Energy: -2.1270234613621266
Energy: 0.7140482707998618
Energy: -2.0348786008447814
Energy: 0.7284998508828624
Energy: -2.434689431622779
Energy: 0.7284998508858334
Energy: -1.9870677827869083
Energy: 0.7205183897429042
Energy: -2.4851294672416766
Energy: 0.720518389748846
Energy: -2.3811526770332234
Energy: 0.7136453707996596
Energy: -2.084085647106277
Energy: 0.7136453707996596
Energy: -2.3296082351015674
Energy: 0.636838346229837
Energy: -2.3480161812768823
Energy: 0.6368383462276087
Energy: -1.8530222341549496
Energy: 0.7370402742125252
Energy: -2.1924566942828294
Energy: 0.7370402742117825
Energy: -2.3316969605627227
Energy: -2.234306150854788
Energy: -2.3887248602963362
Energy: -1.8438645781039893
Energy: -2.0205663032530463
Energy: 0.7121641775120889
Energy: -1.8379211483324114
Energy: 0.7121641775106033
Energy: -2.3855421540748996
Energy: -2.6885699309919993
Energy: -2.292928103999453
Energy: -2.578580793684644
Energy: -2.0935625929754202
Energy: 0.727904172504866
Energy: -2.0944207306257048
Energy: 0.727904172504866
Energy: -1.9006028673157194
Energy: 0.7067721568164091
Energy: -2.2800207612050647
Energy: 0.7067721568141809
Energy: -2.38731781746805
Energy: 0.9096232272113771
Energy: -2.516566265569268
Energy: 0.9096232272091828
Energy: -2.0422232091635695
Energy: 0.7351922124496418
Energy: -2.28834330356747
Energy: 0.7351922124503845
Energy: -2.144945169781517
Energy: 0.9001242570427092
Energy: -2.3166673107041196
Energy: 0.9001242570412238
Energy: 0.2344748028350979
Energy: 0.7151791072467212
Energy: -2.4172867362808685
Energy: 0.7151791072489495
Energy: -2.4322048342065186
Energy: -2.268911529176535
Energy: -2.106271908519657
Energy: -2.3635668115192123
Energy: -2.594812692506107
Energy: 0.7366917398457504
Energy: -1.8407502627220351
Energy: 0.7366917398435223
Energy: -2.684335390704722
Energy: 0.7138853088879059
Energy: -2.2661297040972426
Energy: 0.7138853088893914
Energy: -2.0648504249443707
Energy: 0.7048218339008787
Energy: -2.24638203870856
Energy: 0.7048218339038496
Energy: -2.084868447461787
Energy: 0.7430387676347835
Energy: -2.234664621869949
Energy: 0.7430387676347835

minimum gb energy = -2.6885699309919993 eV
minimum distance =  2.23516211167151 Angstroms
sigma value = 1


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

Energy: -1.9976697766552527
Energy: 0.8142681933765508
Energy: -1.2505722908028558
Energy: 0.8142681933850194
Energy: -1.5960802689728677
Energy: 0.7237068532782719
Energy: -1.5978568204505745
Energy: 0.7237068532740377
Energy: 0.32350357391012985
Energy: 0.8150444363166891
Energy: -1.613651294682699
Energy: 0.8150444363149953
Energy: -1.7258257071785994
Energy: 0.7745504723828397
Energy: -1.6934398344766153
Energy: 0.7745504723819928
Energy: -1.7787911531571419
Energy: 0.7815679221087538
Energy: 0.4123459949583376
Energy: 0.7815679221079069
Energy: -1.9498037022368062
Energy: 0.7827220540280844
Energy: -1.3339719679049102
Energy: 0.7827220540297779
Energy: -1.6874587963050198
Energy: -1.719577141565735
Energy: -1.6896368452053514
Energy: -1.7195782522629723
Energy: 0.30454897286246924
Energy: 0.8152397076867964
Energy: -1.4318454085719334
Energy: 0.8152397076867964
Energy: -1.6116832028034904
Energy: 0.8974903104458352
Energy: -1.9241835075911347
Energy: 0.8974903104432947
Energy: -1.5746673680543757
Energy: 0.8152856290218748
Energy: -1.1987376345054785
Energy: 0.8152856290244154
Energy: -1.6833480098603884
Energy: 0.6367242676252614
Energy: -1.6957632098598678
Energy: 0.6367241700446786
Energy: -1.5090003613708662
Energy: 0.7980226530545589
Energy: -1.6930611448506072
Energy: 0.7980226530579463
Energy: -2.1854003109356053
Energy: 0.7845435138655231
Energy: -1.5107926284440605
Energy: 0.7845435138697573
Energy: -1.944885675135902
Energy: 0.7850662029449736
Energy: -1.5054111517996707
Energy: 0.7850662029458205
Energy: -1.3559036480698856
Energy: 0.7978655831416442
Energy: -1.566191554838283
Energy: 0.7978655831365632
Energy: -1.505123276166888
Energy: -1.5289394206999654
Energy: -1.7758254569632017
Energy: -1.531261637063842
Energy: -1.5246347049557851
Energy: 0.8153282299447535
Energy: 0.32086989536382193
Energy: 0.8153282299481409
Energy: -1.693495733442984
Energy: 0.8983148701690918
Energy: -1.7751994428175069
Energy: 0.8983148702080469
Energy: 0.29870010414439546
Energy: 0.8147492135787887
Energy: 0.41025610763585524
Energy: 0.8147492135737076
Energy: -1.6761810363025134
Energy: -1.6793082888588204
Energy: -1.6243442596943898
Energy: -1.627283346920158
Energy: -1.788133205856755
Energy: 0.7819471708785545
Energy: -1.526228149685979
Energy: 0.7819471708802482
Energy: -1.7382160550788937
Energy: 0.781677450854352
Energy: -1.5289502365852192
Energy: 0.781677450854352
Energy: -1.6140915976146442
Energy: 0.7713929516297361
Energy: -1.5207524145771483
Energy: 0.7713929516339704
Energy: 0.3234552551911912
Energy: 0.8153111858742939
Energy: -1.6535337670780743
Energy: 0.8153111858692128
Energy: -1.7331916303221038
Energy: 0.733194043721105
Energy: -1.7921684131586884
Energy: 0.7331940437202581
Energy: -1.8289008625738257
Energy: 0.814268193375704
Energy: 0.3769590816870283
Energy: 0.8142681933833257
Energy: -1.7147486234536238
Energy: 0.7237068532774252
Energy: -1.7698925078739183
Energy: 0.7237068532723441
Energy: 0.3235035739016998
Energy: 0.8150444363149953
Energy: -1.7267391021984189
Energy: 0.8150444363158422
Energy: -1.7560568885667882
Energy: 0.7745504723819928
Energy: -1.6787327829390875
Energy: 0.7745504723794523

minimum gb energy = -2.1854003109356053 eV
minimum distance =  2.2333674118069 Angstroms
sigma value = 25


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

Energy: -1.229879186319374
Energy: 0.8690472371216321
Energy: -1.0826651123525968
Energy: 0.8690472371206477
Energy: -1.0187594947453826
Energy: 0.7262670525364993
Energy: -1.5278536156471274
Energy: 0.7262670525325615
Energy: 0.4073222206799576
Energy: 0.9198026009939309
Energy: -1.0533915713294888
Energy: 0.9198026009919621
Energy: -0.8375026788344435
Energy: 0.9040550944515526
Energy: -1.0959524698958325
Energy: 0.9040550944525371
Energy: -1.007830304257625
Energy: 0.8825994939022228
Energy: 0.4856879618500702
Energy: 0.8825994939012384
Energy: -1.2903402406343667
Energy: 0.9290264724656813
Energy: -1.085153507838768
Energy: 0.9290264724656813
Energy: -1.285649403528881
Energy: -1.0199526021909402
Energy: -1.3592913423902553
Energy: -1.076941103997443
Energy: -1.4259183867081642
Energy: 0.8721605663841061
Energy: -1.165739563763626
Energy: 0.8721605663841061
Energy: -1.4404090418874507
Energy: 0.664615164782858
Energy: -1.0735649612452616
Energy: 0.6646151827458847
Energy: -1.0156197239954774
Energy: 0.9214425845499397
Energy: -0.8924611204118786
Energy: 0.9214425845469862
Energy: -0.9701431886667613
Energy: 0.8910588879924016
Energy: -1.1769178783133187
Energy: 0.8910588879924016
Energy: -1.2310153595600468
Energy: 0.8805386521395654
Energy: -1.0320722303836314
Energy: 0.880538652138581
Energy: -1.1448090650280907
Energy: 0.8961059142244051
Energy: -0.9639465872706348
Energy: 0.8961059142253895
Energy: -1.4957534775677135
Energy: -0.9989113480064212
Energy: -1.117811083136919
Energy: -1.018864577374467
Energy: 0.32250692855954066
Energy: 0.8773729132047517
Energy: -1.05203215303802
Energy: 0.8773729132037673
Energy: -1.443733046093808
Energy: -0.6283731813344887
Energy: -1.0330697811344562
Energy: 0.9411539332114025
Energy: 0.43669435548638896
Energy: 0.9197529700830996
Energy: 0.4285891306684483
Energy: 0.9197529700830996
Energy: -0.9869596938398283
Energy: 0.7622290060830254
Energy: -0.7866165781772837
Energy: 0.7622290060751499
Energy: -0.6817485707732628
Energy: 0.8940757229434425
Energy: -1.0250993331868428
Energy: 0.8940757229414736
Energy: -1.1558491109240159
Energy: 0.9288552364488846
Energy: -0.9319108833535592
Energy: 0.9288552364488846
Energy: -1.218364027344765
Energy: 0.8692243267940456
Energy: -1.3805388359660813
Energy: 0.86922432679503
Energy: -1.2336998627430773
Energy: 0.8698961453744233
Energy: -0.9719393883758349
Energy: 0.8698961453754077
Energy: -1.173962818486042
Energy: 0.7614730302546231
Energy: -1.729024863420062
Energy: 0.7614730303067537
Energy: 0.4204251925401213
Energy: 0.9184999059924468
Energy: -0.927797311119094
Energy: 0.9184999059392869
Energy: -1.3424969029126945
Energy: -1.0097287467689686
Energy: -1.0473146438789025
Energy: -1.0977843366923408

minimum gb energy = -1.729024863420062 eV
minimum distance =  2.17969444877108 Angstroms
sigma value = 9


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

Energy: -0.40200347927175173
Energy: 1.0026880468316546
Energy: -2.068127528145317
Energy: 1.0026880468304802
Energy: -0.7028569347709931
Energy: 0.8448612930766696
Energy: -0.730327928163212
Energy: 0.8448612931306638
Energy: -0.20403616961535084
Energy: 1.0043391434565425
Energy: 0.72333251151205
Energy: 1.0043391434600657
Energy: -0.8775056447531998
Energy: 1.0395871840553454
Energy: -0.388420186961659
Energy: 1.039587184057694
Energy: -0.6735495782207572
Energy: 0.8779941484811942
Energy: 0.7230777561914902
Energy: 0.8779941484142819
Energy: 0.5270216173461516
Energy: 1.0069937950397894
Energy: -0.45888546883643927
Energy: 1.006993795038615
Energy: -0.9094906407806571
Energy: -0.35558277945324307
Energy: -0.4177745293321346
Energy: -0.3469083595396878
Energy: -0.6096877383076903
Energy: 1.006836707440054
Energy: -0.5870602303498565
Energy: 1.006836707436531
Energy: -0.7848829800617227
Energy: 0.8181709948976061
Energy: -0.1682861520560645
Energy: 0.8181712957569658
Energy: -0.5775956328033339
Energy: 1.00972324385623
Energy: -0.7998100095785525
Energy: 1.0097232438527066
Energy: -0.5070265723019254
Energy: 0.9747302093124163
Energy: 0.7018510606104515
Energy: 0.9747302093147648
Energy: -0.6847047947646401
Energy: -0.5000174303027877
Energy: -0.5259117694076809
Energy: -0.45464853986191445
Energy: 0.5548790653705395
Energy: 1.0041307428532285
Energy: -0.546122896283677
Energy: 1.0041307428508797
Energy: -0.7436093855350517
Energy: -0.3000641980930832
Energy: -0.8114734222964333
Energy: -0.35599266743633884
Energy: 0.5454736620900026
Energy: 1.0041100196235495
Energy: -0.39411073307505057
Energy: 1.004110019615329
Energy: -0.5826192869374542
Energy: 0.8346597953572288
Energy: -0.44188503543374336
Energy: 0.8346597953525312
Energy: -0.7746560307402128
Energy: 0.9741860504533977
Energy: 0.7248786082125144
Energy: 0.9741860504545721
Energy: -0.5858315463938476
Energy: 1.0044696442736036
Energy: -0.5022823530908428
Energy: 1.0044696442665575
Energy: -0.9005714970167811
Energy: 0.8242520659521846
Energy: -0.9643738275940565
Energy: 0.8242520665508456
Energy: -0.1443932376588722
Energy: 1.0065352156856955
Energy: -0.429859541134114
Energy: 1.0065352156856955
Energy: -0.9153019483925816
Energy: -0.35747113959828575
Energy: -0.41987664127857954
Energy: -0.5559804047670593

minimum gb energy = -2.068127528145317 eV
minimum distance =  2.21249002534751 Angstroms
sigma value = 25


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

Energy: 0.8388344421714529
Energy: 1.0759531667178184
Energy: 0.3394588123505757
Energy: 1.0759531667178184
Energy: 0.8018122078469799
Energy: 0.9640242914134728
Energy: 0.7707155167119535
Energy: 0.9640242914120205
Energy: 0.8164619262518055
Energy: 1.1540661381379227
Energy: 0.7722817456218959
Energy: 1.1540661381379227
Energy: 0.8355871918128872
Energy: 1.072154598963111
Energy: 0.6784399453477116
Energy: 1.072154598963111
Energy: 0.6598601281756087
Energy: 0.8042633962838895
Energy: 0.7663900380662125
Energy: 0.8042633962853419
Energy: 0.769889554553961
Energy: 1.1573287733122082
Energy: 0.7753783117589697
Energy: 1.157328773310756
Energy: 0.7200273437344236
Energy: 0.9346803793630369
Energy: 0.7734999333464087
Energy: 0.9346803793659415
Energy: 0.6498664021528741
Energy: 1.0787616600444965
Energy: 0.8398661048674967
Energy: 1.078761660043044
Energy: 0.7721874802101392
Energy: 0.9635016639873735
Energy: 0.802606625875409
Energy: 0.9635016639873735
Energy: 0.7692014947256719
Energy: 1.0089157031502063
Energy: 0.770996274850646
Energy: 1.0089157031516585
Energy: 0.6983252291338813
Energy: 1.0760834553544014
Energy: -0.3941428830766709
Energy: 1.076083455352949
Energy: 0.7704148838429159
Energy: 0.8960773576820718
Energy: 0.7398454018092109
Energy: 0.8960773576719054
Energy: 0.7707671277541177
Energy: 1.1382434190791013
Energy: 0.767827476556633
Energy: 1.138243419084911
Energy: 0.7674325218849304
Energy: 0.9396773672756041
Energy: 0.838781385203262
Energy: 0.9396773672741517
Energy: 0.9082969725728874
Energy: 1.076625884325407
Energy: 0.6790458731040796
Energy: 1.0766258843268595
Energy: 0.8049640310777784
Energy: 1.0094074179113874
Energy: 0.7695631477266152
Energy: 1.0094074179128396
Energy: 0.7740979559490591
Energy: 0.8247847185641047
Energy: 0.7378848126828041
Energy: 0.8247847185641047

minimum gb energy = -0.3941428830766709 eV
minimum distance =  2.34166671130134 Angstroms
sigma value = 17


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

Energy: 0.8940897264220362
Energy: 1.088731751935209
Energy: 0.5041336049113727
Energy: 1.0887317519360316
Energy: 0.80265866862006
Energy: 0.7993887086613454
Energy: 0.7831909805272051
Energy: 0.7993887087213902
Energy: 0.7528484799803467
Energy: 1.0843017740237657
Energy: 0.8224065084523083
Energy: 1.0843017740212981
Energy: 0.7881390035675018
Energy: 1.07089780362262
Energy: 0.7387292406627597
Energy: 1.0708978036669994
Energy: 0.8449496381363333
Energy: 0.9810181250402258
Energy: 0.8146626328846551
Energy: 0.9810181250410482
Energy: 0.8442230834126738
Energy: 1.072752822108886
Energy: 0.6281777109744181
Energy: 1.0727528221113536
Energy: 0.790737036896313
Energy: 0.9146928193318286
Energy: 0.7634694583877759
Energy: 0.9146928193318286
Energy: 0.7202446647616441
Energy: 1.138657845271669
Energy: 0.8475606996210643
Energy: 1.138657845270846
Energy: 0.8441614591901577
Energy: 1.0780154823064922
Energy: 0.7154683980461124
Energy: 1.07801548230896
Energy: 0.7567733482426838
Energy: 0.9812825530107134
Energy: 0.7899794735221025
Energy: 0.9812825530230515
Energy: 0.8177446073273259
Energy: 1.068578164071934
Energy: 0.7140174099658575
Energy: 1.068578164071934
Energy: 0.8685010338038587
Energy: 0.9450488230647732
Energy: 0.8664365727176673
Energy: 0.9450488230557256
Energy: 0.7750252889424255
Energy: 1.0684324762970976
Energy: 0.8927039348101289
Energy: 1.06843247629792
Energy: 0.8202510381135774
Energy: 1.0922677299708845
Energy: 0.8042647447787061
Energy: 1.0922677299725294
Energy: 0.7852111772819123
Energy: 0.9023602770828634
Energy: 0.8212551026996635
Energy: 0.9023602770853312
Energy: 0.7478594597740535
Energy: 1.1166096533387389
Energy: 0.7543541322834675
Energy: 1.1166096533403838
Energy: 0.7830723510698698
Energy: 0.9465328916075948
Energy: 0.7862843765929345
Energy: 0.9465328914406954
Energy: 0.6713779756566942
Energy: 1.0603375519789706
Energy: 0.8437499841551123
Energy: 1.0603375519781482
Energy: 0.8593413549030365
Energy: 1.020624681935954
Energy: 0.8826038914754629
Energy: 1.0206246819334863
Energy: 0.7968155686342677
Energy: 1.0768146595646153
Energy: 0.7912026818280032
Energy: 1.0768146595629702
Energy: 0.747130891880506
Energy: 1.042114110674909
Energy: 0.7887334013676606
Energy: 1.0421141106675063
Energy: 0.820710176528869
Energy: 0.7311977058440038
Energy: 0.7554359514111506
Energy: 0.7311977058415361
Energy: 0.7691818469227022
Energy: 1.0754566598754354
Energy: 0.8156273478332303
Energy: 1.0754566598705
Energy: 0.8905734601820708
Energy: 0.9332644202253183
Energy: 0.7720892679127382
Energy: 0.9332644202277859
Energy: 0.8871859372084775
Energy: 1.100588839688509
Energy: 0.7698663335109504
Energy: 1.1005888396852186
Energy: 0.5844101775929411
Energy: 1.0768161715124676
Energy: 0.8164181392947242
Energy: 1.0768161714779212
Energy: 0.8079271342152141
Energy: 0.9294798351382875
Energy: 0.7963066460703949
Energy: 0.929479835066727
Energy: 0.6873778957559636
Energy: 1.0435278660060268
Energy: 0.7870590476095903
Energy: 1.043527866037283
Energy: 0.7774648143115752
Energy: 0.9352085502502626
Energy: 0.7918931670792815
Energy: 0.9352085502527302
Energy: 0.8473148173603201
Energy: 1.0603190822814117
Energy: 0.729253428556855
Energy: 1.060319082284702

minimum gb energy = 0.5041336049113727 eV
minimum distance =  2.25380736101065 Angstroms
sigma value = 53


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

Energy: 0.8965106906879159
Energy: 0.8968776365707211
Energy: 0.5297591287267782
Energy: 0.8968776365707211
Energy: 0.8803955600329919
Energy: 0.8572353155928021
Energy: 0.777724800164538
Energy: 0.8572353155909085
Energy: 0.8637694214900762
Energy: 1.06628549767373
Energy: 0.7588976232906592
Energy: 1.066285497677517
Energy: 0.8653084715687225
Energy: 1.0662887246429986
Energy: 0.7888843164199263
Energy: 1.0662887246429986
Energy: 0.8804622335127837
Energy: 0.8572732372699998
Energy: 0.760419952149509
Energy: 0.8572732372851488
Energy: 0.8965106906879159
Energy: 0.8968776365726147
Energy: 0.08059219219248508
Energy: 0.8968776365707211
Energy: 0.8803955600310983
Energy: 0.8572353155946958
Energy: 0.810270391307093
Energy: 0.8572353155946958
Energy: 0.8637694214919698
Energy: 1.06628549767373
Energy: 0.7588976232906592
Energy: 1.0662854976794105
Energy: 0.8653084715687225
Energy: 1.0662887246429986
Energy: 0.68089841759774
Energy: 1.0662887246448922
Energy: 0.8804622335127837
Energy: 0.8572732372870424
Energy: 0.8096467425700562
Energy: 0.8572732372889361
Energy: 0.8965106906879159
Energy: 0.8968776365726147
Energy: 0.6882349502838103
Energy: 0.8968776365707211
Energy: 0.8803955600329919
Energy: 0.8572353155928021
Energy: 0.7777248001626443
Energy: 0.8572353155909085
Energy: 0.8637694214900762
Energy: 1.06628549767373
Energy: 0.8993051056405464
Energy: 1.0662854976794105

minimum gb energy = 0.08059219219248508 eV
minimum distance =  2.2869640307444 Angstroms
sigma value = 9


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

Energy: 0.9660831661967608
Energy: 1.0949224307157912
Energy: 0.7717577112256209
Energy: 1.094922430702475
Energy: 0.7930954903817292
Energy: 0.8111366074922634
Energy: 0.8328184642107131
Energy: 0.8111366074908615
Energy: 0.7322250078475974
Energy: 1.0877415276609885
Energy: 0.7670663556305596
Energy: 1.087741527656146
Energy: 0.7070515275226629
Energy: 0.9436684839358994
Energy: 0.8245477330667322
Energy: 0.9436684839099676
Energy: 0.7426516088648241
Energy: 0.8664813576637818
Energy: 0.7732980990784971
Energy: 0.8664813576609782
Energy: 0.946829966617475
Energy: 0.8356169655020428
Energy: 0.6820294249262739
Energy: 0.8356169655041453
Energy: 0.7851417420401331
Energy: 0.7825575858381026
Energy: 0.8022313904129255
Energy: 0.782557585836701
Energy: 0.8566375678479354
Energy: 0.9290593441006623
Energy: 0.7199619769712243
Energy: 0.9290593441118759
Energy: 0.7601572721153481
Energy: 1.0843884000542665
Energy: 0.9271023407187918
Energy: 1.0843884000612751
Energy: 0.7622325302900609
Energy: 0.8753431103217492
Energy: 0.7996601574324087
Energy: 0.8753431103217492
Energy: 0.8229390651963371
Energy: 1.0850684197367055
Energy: 0.673797171927571
Energy: 1.0850684198319585
Energy: 0.7493435138691735
Energy: 1.1178000185088535
Energy: 0.7722376130471387
Energy: 1.117800018515161
Energy: 0.7921640171888062
Energy: 1.0944767517216911
Energy: 0.7516813832224611
Energy: 1.094476751707674
Energy: 0.7085396329513347
Energy: 0.9326112645810206
Energy: 0.9678705455235531
Energy: 0.9326112658665203
Energy: 0.7953222777085976
Energy: 0.9873497909741602
Energy: 0.7376248338528466
Energy: 0.9873497909797673
Energy: 0.7952653260194664
Energy: 1.0756391643144405
Energy: 0.6877670675059812
Energy: 1.0756391652860837
Energy: 0.7631153070175899
Energy: 0.9979223709268417
Energy: 0.7962574120453146
Energy: 0.9979223709275425
Energy: 0.8228329865991119
Energy: 0.7957214128430926
Energy: 0.7194043614036681
Energy: 0.7957214128402892
Energy: 0.7581997576143856
Energy: 1.0304729589374182
Energy: 0.9473792019718573
Energy: 1.0304729589395207
Energy: 0.7733435320563072
Energy: 0.8678187206677251
Energy: 0.8015401749184251
Energy: 0.8678187206663234
Energy: 0.7103190753418802
Energy: 1.087226846855166
Energy: 0.7105697980298439
Energy: 1.0872268468502602
Energy: 0.820055408525184
Energy: 0.8661584667790891
Energy: 0.7638544959719447
Energy: 0.8661584667776874
Energy: 0.8942473615764467
Energy: 0.9632687241406902
Energy: 0.7595656590595877
Energy: 0.9632687241441945
Energy: 0.3854655268665288
Energy: 1.0709319141849738
Energy: 0.824123899039671
Energy: 1.0709319144700953
Energy: 0.8025121945056933
Energy: 0.8722428545591601
Energy: 0.7698467309674173
Energy: 0.8722428545626644
Energy: 0.7407394227231642
Energy: 1.0015683359763226
Energy: 0.7875481026636207
Energy: 1.00156833597422
Energy: 0.7937090345644922
Energy: 0.9801198471164965
Energy: 0.7050435331684846
Energy: 0.980119847223664
Energy: 0.9608297655237283
Energy: 0.9260342723210436
Energy: 0.7060876746776735
Energy: 0.9260342723042231
Energy: 0.7339989470413889
Energy: 1.0209685831079096
Energy: 0.7895573756687273
Energy: 1.0209685833607918
Energy: 0.8046109539087248
Energy: 0.8612689817182702
Energy: 0.7662974873434582
Energy: 0.8612689819424807
Energy: 0.7969374789805763
Energy: 1.0814958940545034
Energy: 0.8720242590186903
Energy: 1.0814958940552046
Energy: 0.7842414951509409
Energy: 0.7959420238829826
Energy: 0.7569424596039147
Energy: 0.7959420238829826
Energy: 0.8079761555145277
Energy: 0.8679749863927275
Energy: 0.7557672951630291
Energy: 0.8679749863913258
Energy: 0.7145911198696852
Energy: 1.0869459697759405
Energy: 0.705935432218315
Energy: 1.0869459697745387
Energy: 0.7181260547989443
Energy: 0.8318206763314928
Energy: 0.7785025855611002
Energy: 0.8318206763314928

minimum gb energy = 0.3854655268665288 eV
minimum distance =  2.29349687142898 Angstroms
sigma value = 73


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

Energy: 1.0000837395833777
Energy: 0.8262798893593154
Energy: 0.7926702679940096
Energy: 0.8262798893804426
Energy: 0.8994340293620169
Energy: 1.0014988342454172
Energy: 0.9016252760197047
Energy: 1.001498834248753
Energy: 0.8198548123113873
Energy: 0.9974923232788144
Energy: 0.8638888896729354
Energy: 0.9974923232788144
Energy: 0.754844827285279
Energy: 0.9567421952311509
Energy: 0.8778137797830513
Energy: 0.9567421955079045
Energy: 0.7179570469375006
Energy: 0.9035381059749636
Energy: 0.8625868389292339
Energy: 0.9035381059760755
Energy: 0.9042428208727168
Energy: 1.0043269226655436
Energy: 0.61754849100097
Energy: 1.0043269228945078
Energy: 0.8305108603979076
Energy: 0.7603505320434181
Energy: 0.8432129911400039
Energy: 0.7603505320423061
Energy: 0.8540311121057299
Energy: 1.01697849871824
Energy: 0.6808743701524936
Energy: 1.0169784986993367
Energy: 0.7817244322383462
Energy: 0.7893662976123266
Energy: 0.9726724009527122
Energy: 0.7893662976178863
Energy: 0.7999906980309537
Energy: 0.8672748562758669
Energy: 0.8184902530293574
Energy: 0.867274856273643
Energy: 0.8073717003585716
Energy: 0.9316012280511247
Energy: 0.7177240813010133
Energy: 0.9316012281000261
Energy: 0.8061487259446666
Energy: 0.9613606054333625
Energy: 0.7536413283521696
Energy: 0.9613606054611366
Energy: 0.903712203636512
Energy: 0.7868583940788084
Energy: 0.7404100294104607
Energy: 0.7868583940788084
Energy: 0.1768389939439602
Energy: 0.9711241149903167
Energy: 0.9043074629593797
Energy: 0.9711241149958767
Energy: 0.7318601415427085
Energy: 0.8993690693554212
Energy: 0.8107702561981813
Energy: 0.8993690693565332
Energy: 0.7139753404760323
Energy: 1.0091119796804822
Energy: 0.8539886421199275
Energy: 1.0091119796593548
Energy: 0.8867843473290513
Energy: 1.0080752512186884
Energy: 0.8203022929688556
Energy: 1.0080752512186884
Energy: 0.889769237917437
Energy: 0.9583867586883075
Energy: 0.8071605604735176
Energy: 0.9583867589206075
Energy: 0.7234631936757583
Energy: 1.0127564198458343
Energy: 0.8537780611236606
Energy: 1.012756419850282
Energy: 0.8988452723686726
Energy: 1.0064671789497484
Energy: 0.8406113903332113
Energy: 1.0064671014000015
Energy: 0.7180586736726486
Energy: 1.0145509515983986
Energy: 0.903264747688224
Energy: 1.0145509515939506
Energy: 0.8542534902240424
Energy: 0.8423906589859766
Energy: 0.7527392468617013
Energy: 0.842390659007104

minimum gb energy = 0.1768389939439602 eV
minimum distance =  2.26718357541989 Angstroms
sigma value = 7


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

Energy: 0.9906923184443575
Energy: 0.7279519764953395
Energy: 0.20706812186339962
Energy: 0.727951976482759
Energy: 0.7625926139848407
Energy: 0.8038971800044599
Energy: 0.8256609358534633
Energy: 0.8038971617103756
Energy: 0.7913703323559408
Energy: 1.04999916521225
Energy: 0.725626945961925
Energy: 1.0499991652106775
Energy: 0.40113467455568774
Energy: 0.7646381400680402
Energy: 0.9187939403600629
Energy: 0.764638140067254
Energy: 0.7918330219781952
Energy: 0.7561508981258925
Energy: 0.7072408464191632
Energy: 0.7561508981321828
Energy: 0.8767051744189654
Energy: 0.940233855697699
Energy: 0.6700075947282125
Energy: 0.9402338556961265
Energy: 0.807452024237791
Energy: 1.0730407524344343
Energy: 0.7384174082128658
Energy: 1.0730407524352206
Energy: 0.8767649208781263
Energy: 0.7146825762252951
Energy: 0.6775478444521987
Energy: 0.7146825762292265
Energy: 0.7881470988943399
Energy: 0.9263590962975257
Energy: 0.8995380996456152
Energy: 0.926359096314788
Energy: 0.7923625016885772
Energy: 0.7857444518849813
Energy: 0.7572001316787166
Energy: 0.7857444518865538
Energy: 0.6689344217291746
Energy: 0.7539359827917224
Energy: 0.7235264636869032
Energy: 0.7539359391309318
Energy: 0.748078508607769
Energy: 0.8845485648499922
Energy: 0.7122530199154894
Energy: 0.8845485648554962
Energy: 0.8642094395699151
Energy: 0.9472816781461504
Energy: 0.7161898535957073
Energy: 0.9472816781555857
Energy: 0.7063884038958033
Energy: 1.050300699416192
Energy: 0.7227862648447546
Energy: 1.050300699410688
Energy: 0.7089297698427596
Energy: 0.7799198151583849
Energy: 0.8253798933746056
Energy: 0.7799198150845105
Energy: 0.25587749815334354
Energy: 0.9704463499435083
Energy: 0.8972812530433192
Energy: 0.9704463499380043
Energy: 0.7087568345760088
Energy: 0.7611020303509614
Energy: 0.7494925958449676
Energy: 0.7611020303447068
Energy: 0.7374015814486765
Energy: 0.87516105388527
Energy: 0.7117439220561427
Energy: 0.8751610538836974
Energy: 0.7917707225978782
Energy: 0.9391933769932089
Energy: 0.7107199104146787
Energy: 0.9391933769971403
Energy: 0.7917567638678364
Energy: 0.7555848268355401
Energy: 0.7101398307046228
Energy: 0.7555848268316085
Energy: 0.3160895090284547
Energy: 0.9300480244704168
Energy: 0.8993103512110016
Energy: 0.9300480246433268
Energy: 0.7931631980975273
Energy: 0.9220710024991261
Energy: 0.7433460109772129
Energy: 0.922070998999395
Energy: 0.7553302460202584
Energy: 1.021537694659919
Energy: 0.8158154085624939
Energy: 1.0215376938402223
Energy: 0.9916324631067677
Energy: 0.714775967136143
Energy: 0.49733323232090576
Energy: 0.714775967141647
Energy: 0.8544979693584401
Energy: 0.8254998138974644
Energy: 0.8036265943574114
Energy: 0.8254998138958918
Energy: 0.6941818706633038
Energy: 0.9197932873574475
Energy: 0.7275977133727641
Energy: 0.919793286815951
Energy: 0.7911085030250675
Energy: 0.761787824290162
Energy: 0.8038266019007024
Energy: 0.7617878242988111
Energy: 0.4010819401389933
Energy: 0.7566472303033989
Energy: 0.9189465444462522
Energy: 0.75664723030104
Energy: 0.8757581612235044
Energy: 1.0734968695773948
Energy: 0.7291048362182321
Energy: 1.0734968695828986
Energy: 0.8705636352357977
Energy: 1.2378318903224381
Energy: 0.9034503118623419
Energy: 1.237831890327156
Energy: 0.8756076393268847
Energy: 1.074280820700706
Energy: 0.8775097422878735
Energy: 1.074280820695202

minimum gb energy = 0.20706812186339962 eV
minimum distance =  2.22819507673758 Angstroms
sigma value = 29


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

Energy: 0.7717096624559605
Energy: 0.5444103270134495
Energy: 0.6539678753185992
Energy: 0.5444103270118367
Energy: 0.6973209074644522
Energy: 0.7993792273874516
Energy: 0.8987753729173487
Energy: 0.7993730029053648
Energy: 0.8322599180705881
Energy: 0.9168043853852849
Energy: 0.6987697794372926
Energy: 0.9168043853863499
Energy: 0.8996172749677059
Energy: 1.1429786168544236
Energy: 0.8991079167247723
Energy: 1.1429786168546971
Energy: 0.9002628512431824
Energy: 0.8596496255965699
Energy: 0.9047015562636294
Energy: 0.8596496255965699
Energy: 0.6411115407320768
Energy: 1.0483305696497702
Energy: 0.6413086106007735
Energy: 1.048330569648979
Energy: 0.8319927292360303
Energy: 0.8599352579719208
Energy: 0.9004192851832591
Energy: 0.8599352579743553
Energy: 0.8988050052971281
Energy: 1.1429626476268913
Energy: 0.899654987497013
Energy: 1.142962647626374
Energy: 0.6987885418638365
Energy: 0.9168009862739376
Energy: 0.6419903356191344
Energy: 0.9168009862744548

minimum gb energy = 0.5444103270118367 eV
minimum distance =  2.33118781745161 Angstroms
sigma value = 5


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

Energy: 0.774719840977001
Energy: 0.6239419307789218
Energy: 0.19221824344305388
Energy: 0.6239419307804074
Energy: 0.6993567071484336
Energy: 1.0606140393022132
Energy: 0.6015022544025385
Energy: 1.060614039294043
Energy: 0.6264839242943606
Energy: 0.5659965333018622
Energy: 0.7263453419337066
Energy: 0.5659965333887285
Energy: 0.5761085687094594
Energy: 0.8460733771026784
Energy: 0.6398892028782878
Energy: 0.8460733769118627
Energy: 0.6531309223813774
Energy: 0.6716301099088909
Energy: 0.8175173765140948
Energy: 0.6716301098057182
Energy: 0.5585754309706813
Energy: 0.6298611694431747
Energy: 0.5986211630745621
Energy: 0.6298611694491166
Energy: 0.6208658970198879
Energy: 0.7198538243754742
Energy: 0.6121329047208646
Energy: 0.719853824304948
Energy: 0.6171413343410171
Energy: 0.8866908802915925
Energy: 0.6101220650936757
Energy: 0.8866908802143818
Energy: 0.6820570663121416
Energy: 0.850040205301079
Energy: 0.5991948418063953
Energy: 0.8500402052995936
Energy: 0.6393319504839868
Energy: 0.7068106944033923
Energy: 0.3995597875302493
Energy: 0.7068106944011642
Energy: 0.5180357130898104
Energy: 0.8283166007755081
Energy: 0.6261551215888155
Energy: 0.828322726460343
Energy: 0.622194085919628
Energy: 0.8569916421292901
Energy: 0.636161229282853
Energy: 0.8569916453387193
Energy: 0.5607976542663826
Energy: 0.6249858912085283
Energy: 0.8075831808333176
Energy: 0.6249858912092711
Energy: 0.6459961487868975
Energy: 0.7829281339315716
Energy: 0.7029663379131413
Energy: 0.7829281339323142
Energy: 0.7210850032300526
Energy: 0.8420176386631457
Energy: 0.6235246527467981
Energy: 0.8420176381902594
Energy: 0.6382645552625575
Energy: 0.6072143056230731
Energy: 0.26492247032973315
Energy: 0.6072143056186168
Energy: 0.7077153706817181
Energy: 0.8346480201957318
Energy: 0.6012608492231581
Energy: 0.8346480248105185
Energy: 0.6526466127639301
Energy: 0.6275095625441721
Energy: 0.4419573802356662
Energy: 0.6275095625122682
Energy: 0.609409782219745
Energy: 0.6771517553495603
Energy: 0.602194485397469
Energy: 0.677151755351012
Energy: 0.6207099266179531
Energy: 0.9817508837916055
Energy: 0.62179926772521
Energy: 0.9817508837143946
Energy: 0.5804955889392828
Energy: 0.8679211815948319
Energy: 0.6387058552542448
Energy: 0.86792093916659
Energy: 0.6765564371306644
Energy: 0.6991050429841413
Energy: 0.6476497804855695
Energy: 0.6991050431289073
Energy: 0.6092913987929327
Energy: 0.8824396885243682
Energy: 0.5805099310410871
Energy: 0.8824396885317956
Energy: 0.6298727258939816
Energy: 0.958112380872959
Energy: 0.6208514927497755
Energy: 0.9581123821016129
Energy: 0.7092323864951607
Energy: 0.6608643391347124
Energy: 0.6364798356177059
Energy: 0.6608643391369405
Energy: 0.6926614474828446
Energy: 0.8057006267106188
Energy: 0.6543757987405685
Energy: 0.8057006267150751
Energy: 0.6146218415912037
Energy: 0.8347973513788098
Energy: 0.6189574145925376
Energy: 0.8347973513906938
Energy: 0.2091197733013465
Energy: 1.0465589178978352
Energy: 0.7101991852374343
Energy: 1.0465589136416211
Energy: 0.620556092366282
Energy: 0.9993682962707894
Energy: 0.8247878411264515
Energy: 0.9993682962878723
Energy: 0.5113053178114313
Energy: 0.8491256223314365
Energy: 0.646110988977537
Energy: 0.8491256312009857
Energy: 0.616070428855553
Energy: 0.6033440746182832
Energy: 0.506812649910831
Energy: 0.6033440746167977
Energy: 0.7689927382057252
Energy: 0.7801393216333805
Energy: 0.6215038324792483
Energy: 0.7801393216460071
Energy: 0.7060623658447857
Energy: 1.0364703634154104
Energy: 0.5202605570876704
Energy: 1.0364703633701375

minimum gb energy = 0.19221824344305388 eV
minimum distance =  2.18982681299727 Angstroms
sigma value = 1


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

Energy: 0.7639584586532624
Energy: 0.6152442082158405
Energy: 0.30512833118961713
Energy: 0.6152442079561609
Energy: 0.755351943514432
Energy: 1.1776162698127715
Energy: 0.6265147224479938
Energy: 1.1776162698096904
Energy: 0.5900503201912302
Energy: 0.6151529538326858
Energy: 0.7684289732095219
Energy: 0.6151529538460362
Energy: 0.5566337690701543
Energy: 0.8639338102497015
Energy: 0.6558472273022353
Energy: 0.8639338101049475
Energy: 0.5062281873082218
Energy: 0.9227236300481951
Energy: 0.8524686154611856
Energy: 0.9227233387101711
Energy: 0.5172435489576122
Energy: 0.9120157015799155
Energy: 0.6480481613345688
Energy: 0.9120154987856652
Energy: 0.5191948936212344
Energy: 0.6988494816414362
Energy: 0.5677969350048107
Energy: 0.6988494816373285
Energy: 0.5137624101003073
Energy: 0.9177925401465746
Energy: 0.605280618632333
Energy: 0.9177925495954985
Energy: 0.7305019369074721
Energy: 0.9182646137476425
Energy: 0.557577578524141
Energy: 0.9182646137609929
Energy: 0.728317845164856
Energy: 0.9176932609183739
Energy: 0.6102097663436329
Energy: 0.9176932609255626
Energy: 0.5510749508158728
Energy: 0.925712152842919
Energy: 0.5374732637165461
Energy: 0.9257121527710788
Energy: 0.5157523298780881
Energy: 0.7441774987283902
Energy: 0.5756225520006938
Energy: 0.7441774987314712
Energy: 0.5168709520479762
Energy: 1.1361218928151773
Energy: 0.6352127361668725
Energy: 1.136121892821339
Energy: 0.512104244695507
Energy: 0.9795166949802947
Energy: 0.676619081839928
Energy: 0.9795166949885104
Energy: 0.5777090131464279
Energy: 0.8721700087201305
Energy: 0.6488845043023479
Energy: 0.8721700087673238
Energy: 0.5899409344615084
Energy: 0.6154956592177162
Energy: 0.45606472153975197
Energy: 0.6154956592310666
Energy: 0.7447493407780987
Energy: 1.1780797243440242
Energy: 0.6256316371693441
Energy: 1.178079724345051
Energy: 0.7639584586553163
Energy: 0.6152442086808647
Energy: 0.27731780266520667
Energy: 0.6152442086141592
Energy: 0.7553518123042062
Energy: 1.1776162698158523
Energy: 0.6265147224479938
Energy: 1.1776162698066097
Energy: 0.5900503201902032
Energy: 0.6151529538378205
Energy: 0.6747686655070111
Energy: 0.6151529538521979
Energy: 0.5566337690999359
Energy: 0.8639338098996497
Energy: 0.6558472273022353
Energy: 0.8639338099027306
Energy: 0.5062281873390306
Energy: 0.9227170625534621
Energy: 0.8524686154611856
Energy: 0.9227174748962953
Energy: 0.5172435489648008
Energy: 0.9120210692270247
Energy: 0.6480481613150567
Energy: 0.9120232745442491
Energy: 0.5191948936263224
Energy: 0.6988494816424632
Energy: 0.5677969349647594
Energy: 0.6988494816404093

minimum gb energy = 0.27731780266520667 eV
minimum distance =  2.26026873523147 Angstroms
sigma value = 17


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

Energy: 0.6411071809088852
Energy: 0.4277098834096827
Energy: -0.45004325673222434
Energy: 0.42770988322508874
Energy: 0.6057662397253516
Energy: 0.8682227955538045
Energy: 0.30900414235403423
Energy: 0.8682227955531701
Energy: 0.548402896824922
Energy: 0.29690876987552284
Energy: 0.3871122949350423
Energy: 0.2969087730173142
Energy: 0.0805912029111961
Energy: 0.8115777229530884
Energy: 0.22936852968793028
Energy: 0.8115777228839017
Energy: 0.19061333263428695
Energy: 0.7813592115863865
Energy: 0.4574255304099994
Energy: 0.782400015058528
Energy: 0.0467464597328172
Energy: 0.9492998088001894
Energy: 0.5834118563296028
Energy: 0.9492998119306131
Energy: 0.4835319013018129
Energy: 0.5875384570893338
Energy: 0.5022338551009267
Energy: 0.5875304723664989
Energy: 0.2195350822380212
Energy: 0.6365142315663895
Energy: 0.17264170023715636
Energy: 0.6365141201186891
Energy: 0.2378301032111224
Energy: 0.7253021683085481
Energy: 0.15179080158271635
Energy: 0.7253021672102742
Energy: 0.2927522696875966
Energy: 0.8518255766313403
Energy: 0.43100570654176196
Energy: 0.8518255765608841
Energy: 0.6113792329698651
Energy: 0.8972888591600102
Energy: 0.22508848472684548
Energy: 0.8972888591600102
Energy: 0.3376161681307638
Energy: 0.5504405527925619
Energy: 0.28180952892337713
Energy: 0.5504411319751327
Energy: 0.03579960640655537
Energy: 0.9483911935419369
Energy: 0.3686269570655586
Energy: 0.9483911936377248
Energy: 0.3765318807873674
Energy: 0.75657260750985
Energy: 0.5791906321425129
Energy: 0.7565723555714453
Energy: 0.19605201736507682
Energy: 0.9163858690981312
Energy: 0.6307910819611889
Energy: 0.9163858751552848
Energy: 0.47867191101960654
Energy: 0.6795620177896929
Energy: 0.5610578895106763
Energy: 0.6795620644503174
Energy: 0.3208870157859812
Energy: 0.6688499471708454
Energy: 0.6095579115709877
Energy: 0.6688499486306904
Energy: 0.3881172188724598
Energy: 0.45145035839368886
Energy: 0.17817314936684073
Energy: 0.45145035857447435
Energy: 0.7932695172755255
Energy: 1.104878233824548
Energy: 0.3669986513053869
Energy: 1.104878233822009
Energy: 0.5785334805343565
Energy: 0.30160097831784083
Energy: -0.04172847246873995
Energy: 0.30160097839337496
Energy: 0.4703520424251694
Energy: 0.8610996926100372
Energy: 0.4205742476314243
Energy: 0.8610996926119413
Energy: 0.3401942172916653
Energy: 0.894776151935258
Energy: 0.8697682513988965
Energy: 0.8947761512709732
Energy: 0.17173600475372294
Energy: 0.8263483872598077
Energy: 0.4235056581234213
Energy: 0.8263483837544255
Energy: 0.4042841184120579
Energy: 0.7629752218343905
Energy: 0.6847579531098181
Energy: 0.7629751373169317
Energy: 0.04132220719666922
Energy: 0.5469236505756647
Energy: 0.3037266207808071
Energy: 0.5469236505769342
Energy: 0.3789601751598611
Energy: 0.5774331747799171
Energy: 0.26752598722390936
Energy: 0.5774331746784165
Energy: 0.6494707134490777
Energy: 0.9765216305187722
Energy: 0.3443467155952521
Energy: 0.9765216305447963
Energy: 0.6356584023345045
Energy: 0.5729245623915907
Energy: 0.33696470226890274
Energy: 0.5729101361260002
Energy: 0.5811125941478039
Energy: 0.8490977336547931
Energy: 0.2028572634747862
Energy: 0.8490977335336154
Energy: 0.40532940949662305
Energy: 0.9439053508132326
Energy: 0.15976682652047844
Energy: 0.9439053509223502
Energy: 0.295466694062847
Energy: 0.59960014653413
Energy: 0.3693509983563227
Energy: 0.5996001504791564
Energy: 0.29336711711171315
Energy: 0.9207263330251351
Energy: 0.3981889114027047
Energy: 0.9207263330403688
Energy: 0.3359078506551823
Energy: 0.8399105663735839
Energy: 0.424144723651962
Energy: 0.8399105663894524
Energy: 0.15607632788970022
Energy: 0.806507846417785
Energy: 0.4282928271890111
Energy: 0.8065078464209587
Energy: 0.26436447807507785
Energy: 0.5441319095322737
Energy: 0.2056873858867255
Energy: 0.5441319095329086
Energy: 0.5033817886334155
Energy: 0.5813484732758817
Energy: 0.41849434715393014
Energy: 0.5813484656782713
Energy: 0.4252133827502427
Energy: 0.9522104179334742
Energy: 0.036100416374769365
Energy: 0.9522104179347437
Energy: 0.5912786480319315
Energy: 0.9335576806187171
Energy: 0.3575978465204661
Energy: 0.9335576806161782

minimum gb energy = -0.45004325673222434 eV
minimum distance =  2.19579319121002 Angstroms
sigma value = 89


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

Energy: 0.5991547769218067
Energy: 0.5973963348378025
Energy: 0.08563048549461325
Energy: 0.5973963348394633
Energy: 0.4869053834745635
Energy: 0.6076314620413931
Energy: 0.46733609737945125
Energy: 0.6076314620397323
Energy: 0.47643571607653473
Energy: 1.0132561515783012
Energy: 0.6179391272438931
Energy: 1.0132561515932483
Energy: 0.24463551283684282
Energy: 0.577912763505271
Energy: 0.4778412705682094
Energy: 0.577912763505271
Energy: 0.5335386180416974
Energy: 0.9536363907106724
Energy: 0.4148681872143125
Energy: 0.9536363907106724
Energy: 0.4832821796638485
Energy: 0.506471531880364
Energy: 0.47767663575587815
Energy: 0.5064715319035775
Energy: 0.4764972911215594
Energy: 0.7010490966619171
Energy: 0.4870100286639743
Energy: 0.7010490966619171
Energy: 0.10753694172947252
Energy: 0.6579997601868484
Energy: 0.4872228087766473
Energy: 0.6579992204248939
Energy: 0.5415962406581216
Energy: 0.5977250128398977
Energy: 0.3872438301267344
Energy: 0.5977250128382369
Energy: 0.5581306406824702
Energy: 0.4930937405863202
Energy: 0.4791954073721066
Energy: 0.49309874020243044
Energy: 0.47408062196786993
Energy: 0.6121405617604021
Energy: 0.481506158694794
Energy: 0.6121405617604021
Energy: 0.47747687050475734
Energy: 0.6969754090277067
Energy: 0.4678292578575212
Energy: 0.6969754090277067
Energy: 0.5409547700430138
Energy: 0.9396554462320629
Energy: 0.06301469805972221
Energy: 0.9396554464412491
Energy: 0.4781739755975839
Energy: 0.5664173349222641
Energy: 0.47873727082770845
Energy: 0.566417334923925
Energy: 0.2922810595396073
Energy: 0.93069106974637
Energy: 0.5311915211567088
Energy: 0.93069106974637

minimum gb energy = 0.06301469805972221 eV
minimum distance =  2.20249396661173 Angstroms
sigma value = 13


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

Energy: 0.548135478551396
Energy: 0.9007489463652957
Energy: -0.5045073538533246
Energy: 0.9007489463639036
Energy: 0.4502630414190642
Energy: 0.9293626881774987
Energy: -0.05850802037108104
Energy: 0.9293626881698415
Energy: 0.49023790453835014
Energy: 0.6347836138367717
Energy: -0.1691554194786879
Energy: 0.6347835561385292
Energy: -0.15404152687465766
Energy: 0.9284628091214493
Energy: -0.24124770103528895
Energy: 0.9284628091158805
Energy: 0.12353446792933145
Energy: 0.6200854492133251
Energy: 0.3982072857199094
Energy: 0.6200854498708919
Energy: -0.20611286102657833
Energy: 0.7700583028312753
Energy: 0.4981018561847258
Energy: 0.7700583028305792
Energy: 0.1379301023256805
Energy: 1.0322859506171207
Energy: 0.25709907913889046
Energy: 1.032285950611552
Energy: -0.35492484197411733
Energy: 0.9092173972304289
Energy: 0.3311260074291876
Energy: 0.9092173972923824
Energy: 0.08263809985685024
Energy: 0.8914556975027192
Energy: 0.15296074168028545
Energy: 0.8914556973719148
Energy: 0.02707811170677309
Energy: 0.7588088683765132
Energy: -0.18005147072196673
Energy: 0.7588088682929803
Energy: 0.16623230850405865
Energy: 0.735378081955208
Energy: -0.2774674443450263
Energy: 0.7353780819628652
Energy: 0.2343244922370813
Energy: 0.738952333117866
Energy: -0.2435953376929713
Energy: 0.7389521323492019
Energy: 0.41448009573029365
Energy: 0.9077596284596482
Energy: -0.3055144607416022
Energy: 0.907759628458256
Energy: 0.5111762060139393
Energy: 0.761408138774349
Energy: -0.06263503195097295
Energy: 0.7614081387861827
Energy: 0.1499202105403366
Energy: 0.8737287028059488
Energy: -0.3366463553292936
Energy: 0.8737287027982917
Energy: -0.13955044971979963
Energy: 0.7494062178559333
Energy: -0.16467527958889222
Energy: 0.7494062129018123
Energy: 0.07299179124103927
Energy: 0.9951330502464513
Energy: -0.16304780373096886
Energy: 0.9951330502457552
Energy: -0.12877964998973943
Energy: 0.90509698512423
Energy: -0.058632399807213215
Energy: 0.9050969851221415
Energy: 0.09141569077943507
Energy: 0.8759633003258734
Energy: -0.06066512488659364
Energy: 0.8759633003015098
Energy: 0.06017563759246742
Energy: 0.8880822507738657
Energy: 0.3226795055876598
Energy: 0.8880822507787385
Energy: -0.1288833254499569
Energy: 0.9056846074656495
Energy: 0.3160164672322687
Energy: 0.9056846074663456
Energy: 0.06971628756851841
Energy: 1.0065189739489042
Energy: -0.13479801481527626
Energy: 1.0065189739461198
Energy: -0.13185805098927178
Energy: 0.7431933973851444
Energy: -0.18698458217055178
Energy: 0.7431933973579964
Energy: 0.14128182687780172
Energy: 0.8747654873483905
Energy: -0.16663736728997172
Energy: 0.8747654873428217
Energy: 0.5777323520557411
Energy: 0.7555418166423031
Energy: -0.06115578016811377
Energy: 0.7555418215010578
Energy: 0.41305508046163497
Energy: 0.9006958749604717
Energy: -0.19046341102280656
Energy: 0.9006958749562949
Energy: 0.23231858312838663
Energy: 0.7542856211583492
Energy: -0.2275300911308104
Energy: 0.7542856211729674
Energy: 0.14144618689184382
Energy: 0.7352501887913534
Energy: -0.2922420555185911
Energy: 0.7352501887969222
Energy: -0.011750159177010734
Energy: 0.759641508190716
Energy: 0.08296369568848812
Energy: 0.7596414622479907
Energy: 0.13562906633894886
Energy: 0.8714665428346476
Energy: 0.46431073839191095
Energy: 0.8714665423580052
Energy: -0.30423204303673973
Energy: 0.7131184129992663
Energy: -0.049484673772858444
Energy: 0.7131190878385899
Energy: 0.02668122167627075
Energy: 1.0314768106649832
Energy: 0.5162720570122041
Energy: 1.0314768106621988
Energy: -0.20076410508011946
Energy: 0.7528289077259434
Energy: 0.4978411381774187
Energy: 0.7528289076911381
Energy: 0.19679685188346005
Energy: 0.6117513420473363
Energy: 0.21412997190776484
Energy: 0.6117512832351347
Energy: -0.15168622964020287
Energy: 0.916289203955575
Energy: -0.19366527986377854
Energy: 0.9162892039979742

minimum gb energy = -0.5045073538533246 eV
minimum distance =  2.19232890528025 Angstroms
sigma value = 37


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

Energy: 0.45461551752182044
Energy: 0.44510865130895905
Energy: -0.25032064357458567
Energy: 0.44510865130656374
Energy: 0.6093880251284255
Energy: 0.7778280144669106
Energy: 0.19152667006396884
Energy: 0.7778280144657131
Energy: 0.3935406027278542
Energy: 1.0368323035398768
Energy: 0.2247679496483123
Energy: 1.0368323035398768
Energy: 0.19779194969217986
Energy: 0.7624025995709552
Energy: 0.26401860502825925
Energy: 0.7624025995505957
Energy: 0.2770408341724786
Energy: 0.7597281340991827
Energy: 0.2278089702802062
Energy: 0.7597281341219377
Energy: -0.007795104657018068
Energy: 0.777017193289342
Energy: 0.39322967064946085
Energy: 0.7770171934437813
Energy: 0.31638267704217854
Energy: 1.1288990896379594
Energy: 0.6417522067307914
Energy: 1.1288990896367614
Energy: 0.20101424500254506
Energy: 0.4469673446778827
Energy: 0.444992284989494
Energy: 0.44696734467668503
Energy: 0.2749026138848282
Energy: 0.7660930821675014
Energy: 0.7527336995626407
Energy: 0.7660930821663037
Energy: 0.18606951225782178
Energy: 0.7699709806507173
Energy: 0.3808113992567571
Energy: 0.7699709802604547
Energy: 0.27980849454714435
Energy: 1.1292355470169426
Energy: 0.20437882831276658
Energy: 1.1292355470181403
Energy: 0.6039598594296974
Energy: 0.7545618106370313
Energy: 0.2628709643101377
Energy: 0.754561810634636
Energy: 0.20120678141392934
Energy: 0.7559581062655784
Energy: -0.08719203627009221
Energy: 0.7559581062643808
Energy: 0.6385917573839541
Energy: 1.1296611009169506
Energy: 0.24871442475601718
Energy: 1.1296611007565502
Energy: 0.4435786985131264
Energy: 0.4880777714086197
Energy: 0.20339228287774683
Energy: 0.4880777714086197
Energy: 0.3845281317201775
Energy: 0.7233553832531308
Energy: 0.07847400064121056
Energy: 0.7233553832507355
Energy: 0.20067861895258748
Energy: 0.7651724373595087
Energy: -0.042295026878904615
Energy: 0.7651724374971813
Energy: 0.08495553423364455
Energy: 1.128464606200547
Energy: 0.2508577761566985
Energy: 1.128464606201745
Energy: 0.26589536960417276
Energy: 0.43383857613264626
Energy: 0.2014799876147533
Energy: 0.43383857613384386
Energy: 0.201798597590606
Energy: 0.724222391442961
Energy: 0.19974933198275824
Energy: 0.7242223914417634

minimum gb energy = -0.25032064357458567 eV
minimum distance =  2.26007361647748 Angstroms
sigma value = 25


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

Energy: 0.5333132446165272
Energy: 0.8004458787106169
Energy: -0.6626046960020019
Energy: 0.8004458787106169
Energy: 0.4056739857183619
Energy: 0.844132138543755
Energy: 0.3000484265395045
Energy: 0.8441321385446902
Energy: 0.4757959320825755
Energy: 0.5144135531176875
Energy: -0.2723016129962902
Energy: 0.5144135531102485
Energy: 0.10205266158460728
Energy: 0.7605685166859687
Energy: 0.305894204466946
Energy: 0.7605685167429725
Energy: 0.32957944398209643
Energy: 0.8448118062383225
Energy: -0.09309933725624897
Energy: 0.8448118061906279
Energy: -0.18168407644706275
Energy: 0.8547274412468395
Energy: 0.32049967629824494
Energy: 0.8547274412477749
Energy: 0.30501487222185136
Energy: 0.6099932738552065
Energy: 0.09643280505496082
Energy: 0.6099932738580122
Energy: -0.45299306609034645
Energy: 0.7780266609634591
Energy: 0.475307085224394
Energy: 0.7780266609625239
Energy: 0.30829249852264995
Energy: 0.8400047442560423
Energy: 0.34755263854048213
Energy: 0.8400047397728765
Energy: -0.16404980372713873
Energy: 0.8351325469716945
Energy: 0.3778297430011264
Energy: 0.8351325469688888
Energy: 0.3033476633933023
Energy: 0.6227629187305935
Energy: 0.25139763492785583
Energy: 0.6227629187305935
Energy: -0.2893752353342401
Energy: 0.8541834381081383
Energy: 0.4732890749384556
Energy: 0.8541834381090736
Energy: 0.3078976305615554
Energy: 0.7415739894887323
Energy: 0.10102346729228111
Energy: 0.7415739894915379
Energy: 0.3318947139899815
Energy: 0.7806168995926767
Energy: 0.3251586639759546
Energy: 0.7806168995954824
Energy: 0.320802376163941
Energy: 0.7279105149048972
Energy: -0.18013820362740313
Energy: 0.7279105149067676
Energy: 0.06087545884662707
Energy: 0.8591886703628483
Energy: 0.27613027737976986
Energy: 0.8591886703170667
Energy: 0.47223427430571485
Energy: 0.7475893402190785
Energy: -0.4031799885670107
Energy: 0.747589340211597
Energy: 0.4618225453694245
Energy: 0.8307434017670046
Energy: 0.3044858732127411
Energy: 0.8307434017623285
Energy: 0.5401247342786072
Energy: 0.8477501366726272
Energy: -0.41459333356790595
Energy: 0.8477501366716919
Energy: 0.3869558003849357
Energy: 0.857332037338934
Energy: 0.2703498357859949
Energy: 0.8573320373426748
Energy: 0.4757038101808538
Energy: 0.8551490125432947
Energy: -0.4138719101031822
Energy: 0.8551490125404891
Energy: 0.05895081760118444
Energy: 0.7445476222005175
Energy: 0.26528206933844495
Energy: 0.7445476221995824
Energy: 0.3192952710371023
Energy: 0.8208420657250703
Energy: 0.3233592034089472
Energy: 0.8208420657250703
Energy: -0.17958951631347672
Energy: 0.8517560515901189
Energy: 0.30577592848636975
Energy: 0.8517560515873135
Energy: 0.2813683690755965
Energy: 0.8592242653305144
Energy: 0.054124471314825846
Energy: 0.859224265328644
Energy: 0.037983286076639367
Energy: 0.7548068788242582
Energy: 0.4856079463923647
Energy: 0.7548068788233229

minimum gb energy = -0.6626046960020019 eV
minimum distance =  2.20602577717636 Angstroms
sigma value = 41


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

Energy: 0.6363358347904621
Energy: 0.686489683482831
Energy: -1.3701443192562566
Energy: 0.6864896834843645
Energy: -0.013929368092549181
Energy: 0.7008632872581998
Energy: -0.27471337353583003
Energy: 0.7008632872589665
Energy: 0.243532470494407
Energy: 0.6013938487407477
Energy: -0.8455434948173174
Energy: 0.6013938487507148
Energy: -0.2940252783139108
Energy: 0.6373739378521484
Energy: -0.37475488734074763
Energy: 0.6373739378498482
Energy: -0.1642569628090371
Energy: 0.7119371097152177
Energy: -0.6231953465989338
Energy: 0.711937109712151
Energy: -0.49153212526978746
Energy: 0.6316475513331934
Energy: -0.37048532480407576
Energy: 0.6316475513331934
Energy: -0.350651332404295
Energy: 0.693983137653262
Energy: -0.026966212959335382
Energy: 0.6939831375881274
Energy: -0.33229436839683546
Energy: 0.4666465332940069
Energy: -0.2554515928026546
Energy: 0.46664653276139345
Energy: 0.18293652487565937
Energy: 0.6700493017346542
Energy: -0.27580114990337573
Energy: 0.6700493017400211
Energy: -0.41331996811704497
Energy: 0.6106102140611613
Energy: 0.2517543117119828
Energy: 0.6106102140925612
Energy: -0.3899067758558373
Energy: 0.710561642046316
Energy: -0.10878892396161907
Energy: 0.710561642046316
Energy: -0.4084681566371722
Energy: 0.6645339917284455
Energy: 0.6366827775342725
Energy: 0.6645339917269121
Energy: 0.18144247343891268
Energy: 0.6978957848378484
Energy: -0.03353137595577943
Energy: 0.6978957848194477
Energy: -0.40840962086242083
Energy: 0.7072867640906094
Energy: 0.25038208007264373
Energy: 0.7072867643051812
Energy: -0.12647388337463328
Energy: 0.6973558462625162
Energy: -0.2604415299577215
Energy: 0.6973558462602161
Energy: -0.07641076139858831
Energy: 0.675119185462951
Energy: -0.24056853744345696
Energy: 0.6751191854598841
Energy: 0.1722855554624198
Energy: 0.6550459534845047
Energy: -0.529758286343319
Energy: 0.6550459540109844
Energy: -0.5267924395375783
Energy: 0.7723722495387859
Energy: -0.27382085975805637
Energy: 0.77237224952272
Energy: -0.4720423154711702
Energy: 0.5326338829121372
Energy: -0.35665389298252304
Energy: 0.5326338829129039
Energy: 0.2442621183133989
Energy: 0.7492357055929587
Energy: 0.1741734565787634
Energy: 0.7492357055921921
Energy: 0.2604526457018303
Energy: 0.659785409335485
Energy: -0.2954255769929432
Energy: 0.6597854085246636
Energy: -0.1357505295959396
Energy: 0.7875683871743052
Energy: -0.03289325488185581
Energy: 0.7875683871712733
Energy: 0.40009886251203547
Energy: 0.7154168474041633
Energy: -0.13882913864990173
Energy: 0.7154168474041633
Energy: 0.001150096096035301
Energy: 0.6867885455755613
Energy: 0.1818428422733374
Energy: 0.6867885455763281
Energy: 0.2578727107589537
Energy: 0.7057240439706185
Energy: -0.5125653769393845
Energy: 0.7057240439690851
Energy: -0.19503722653886593
Energy: 0.7182798076178006
Energy: -0.031363870370164505
Energy: 0.7182798076093669
Energy: -0.32473204184486526
Energy: 0.6770975335916878
Energy: -0.08438407210345093
Energy: 0.6770975335924544
Energy: -0.09171045486935392
Energy: 0.6860249799241469
Energy: -0.172323910758422
Energy: 0.6860249795118707
Energy: 0.1856309811687468
Energy: 0.7646305935594471
Energy: -0.47871923091056345
Energy: 0.7646305935556137
Energy: -0.13588307573158012
Energy: 0.7500855542004791
Energy: 0.11179704648207577
Energy: 0.7500855542096795
Energy: -0.09436559504745029
Energy: 0.7320005221278737
Energy: 0.2161949447177905
Energy: 0.7320005219692363
Energy: -0.29832314075301397
Energy: 0.6886993378513493
Energy: 0.25941904744253413
Energy: 0.6886993377716472

minimum gb energy = -1.3701443192562566 eV
minimum distance =  2.22511231771131 Angstroms
sigma value = 15


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

Energy: 0.3644729869341462
Energy: 0.6092556383675389
Energy: -1.5278840849033735
Energy: 0.6092556383616934
Energy: -0.38291127979889894
Energy: -0.342470565466533
Energy: -0.6541053945908716
Energy: -0.4981759784138385
Energy: -0.5327732022018864
Energy: 0.5984544133489037
Energy: -1.7543122379060148
Energy: 0.5984544133560482
Energy: -0.6131181890999937
Energy: 0.598531900373429
Energy: -0.48801751720264397
Energy: 0.598531900374728
Energy: -0.584558353649147
Energy: 0.6073887819475026
Energy: -1.6057583834807394
Energy: 0.6073887819241205
Energy: -0.716135420074642
Energy: 0.5827166352118915
Energy: -0.4814903607101415
Energy: 0.5827166352177371
Energy: -0.489676224959169
Energy: 0.567690079132445
Energy: -0.4912431983032974
Energy: 0.5676900791291973
Energy: -0.8329498623850333
Energy: 0.536474596485195
Energy: -0.39231776755851533
Energy: 0.5364745964728544
Energy: -0.31565535731265804
Energy: 0.6107070281581484
Energy: -0.6134643236078926
Energy: 0.6107070281594472
Energy: -0.5755963275782664
Energy: 0.5721995383734781
Energy: -0.6006146599656437
Energy: 0.5721995394232532
Energy: 0.09366938614848683
Energy: -0.2744727465550336
Energy: -0.5336776244124742
Energy: -0.3137676025162774
Energy: -1.1364499255808045
Energy: 0.6005243905442562
Energy: 0.16027143597747542
Energy: 0.6005243893075423
Energy: -0.34627267525669253
Energy: 0.6130499760480725
Energy: -0.4138700031888236
Energy: 0.6130499760454746
Energy: -0.60844511720801
Energy: 0.6047727218262966
Energy: 0.2613716025960121
Energy: 0.604772721825647
Energy: 0.08820561439164339
Energy: -0.2827184369890091
Energy: -0.4317971586248633
Energy: -0.28888312269857275
Energy: -0.881459114158939
Energy: 0.5385458246516548
Energy: 0.1536493028286792
Energy: 0.5385458246451598
Energy: -0.6630695944548153
Energy: 0.6096667070714714
Energy: -0.5766003910143358
Energy: 0.6096667070695229
Energy: -0.6960461805016473
Energy: 0.6086920272634094
Energy: -0.6730940106025219
Energy: 0.6086920271173302
Energy: -0.472604255083731
Energy: -0.2728712624993142
Energy: -0.7605984039437704
Energy: -0.2915501908034895
Energy: -0.47039234625441423
Energy: -0.3124843834513545
Energy: -0.48074424062069115
Energy: -0.31768051687603255
Energy: -0.3700485159964954
Energy: 0.3379284615712482
Energy: -0.922212624123252
Energy: 0.33792845937498106
Energy: -0.33562869937044504
Energy: 0.6092615777565458
Energy: -0.5353276171211081
Energy: 0.6092615777617417
Energy: -0.49981054093333205
Energy: -0.28236968098723547
Energy: -0.8593999135782607
Energy: -0.27675860178045464
Energy: -0.5790240222293319
Energy: 0.5759512188489609
Energy: -0.4837349805632422
Energy: 0.5759512188398679
Energy: -0.3540975558604486
Energy: 0.04782466979267309
Energy: -1.246966631417329
Energy: 0.08409195160981475
Energy: -0.308781967013479
Energy: 0.6115131060642074
Energy: -0.7139373557980317
Energy: 0.6115131060590113
Energy: 0.2665320707871017
Energy: 0.586675626967004
Energy: -0.6151670497836674
Energy: 0.5866756258061638
Energy: -0.2513694868675349
Energy: -0.034694403285806835
Energy: -0.4257459705266179
Energy: -0.035676770901697526
Energy: -0.5283608156725331
Energy: 0.6251921994989437
Energy: -1.4332291386825073
Energy: 0.6251921994943972
Energy: -0.5255146092761122
Energy: 0.6116899710981882
Energy: -0.7125580115825071
Energy: 0.6116899710968892
Energy: -0.4963537801441106
Energy: 0.5978815848300046
Energy: -0.9275963393315543
Energy: 0.5978815848520878
Energy: -0.7588775272484721
Energy: -0.38430487756826964
Energy: -0.44585428131656524
Energy: -0.22912283928085292
Energy: -0.8305516981754928
Energy: 0.6244135540251946
Energy: -0.7724616334895442
Energy: 0.6244135540258441
Energy: -0.48349849833682107
Energy: 0.5950335227230736
Energy: -0.5857290930443425
Energy: 0.5950335227204757
Energy: -0.5879429534442384
Energy: 0.6058502002607263
Energy: -0.25201452262321766
Energy: 0.6058502002652729
Energy: -1.2648208970893164
Energy: -0.26552905927707604
Energy: -0.11023167175976316
Energy: -0.26519167509745817
Energy: -0.6444657840125798
Energy: 0.6297061908917815
Energy: -0.5562396998723151
Energy: 0.629706190891132

minimum gb energy = -1.7543122379060148 eV
minimum distance =  2.23613205428183 Angstroms
sigma value = 85


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

Energy: 0.635396596277431
Energy: 0.5381774494433752
Energy: -0.6431282089302147
Energy: 0.538177449442812
Energy: 0.5863768291327206
Energy: 0.5424766980469976
Energy: 0.10165736542418785
Energy: 0.5424766980199585
Energy: 0.5916199735967348
Energy: 0.5300114573827205
Energy: -0.49806979252577377
Energy: 0.530011457920431
Energy: 0.2356382018402694
Energy: 0.5207618878602153
Energy: 0.10261265919064849
Energy: 0.5207618879091982
Energy: 0.21558114041867893
Energy: 0.46522413636451027
Energy: -0.3715041164192072
Energy: 0.46522413636282034
Energy: 0.1819873254116045
Energy: 0.35423538099892193
Energy: 0.062391373978849925
Energy: 0.3542363276332485
Energy: 0.11980355570437703
Energy: 0.5303686606000831
Energy: -0.4053816006340366
Energy: 0.5303686605978298
Energy: -0.0338816217846648
Energy: 0.36568889471630367
Energy: 0.1042734842238055
Energy: 0.3656888935952286
Energy: 0.08040887064798696
Energy: 0.5491690850613146
Energy: -0.020850004528679165
Energy: 0.5491690850613146
Energy: -0.03946237275024404
Energy: 0.5186585042551447
Energy: 0.12276079833783062
Energy: 0.5186585042523538
Energy: 0.07343358259481454
Energy: 0.5121544538549279
Energy: 0.014634314174061466
Energy: 0.5121544538847836
Energy: -0.3916699927209875
Energy: 0.5295462581832321
Energy: 0.2149844784566107
Energy: 0.5295462580835762
Energy: 0.14419312243292987
Energy: 0.4885007357681864
Energy: 0.21951448691851572
Energy: 0.4885007357670598
Energy: -0.8885193532465211
Energy: 0.5467488097820173
Energy: 0.29141682077831316
Energy: 0.5467488097803275
Energy: 0.07373281003765664
Energy: 0.5236286161026144
Energy: 0.6017559801478359
Energy: 0.5236286160738852
Energy: -0.4037984572269555
Energy: 0.5231248565411962
Energy: 0.5744691353191554
Energy: 0.5231248565654187
Energy: 0.1456589709124033
Energy: 0.48859843436100286
Energy: 0.3943024211397815
Energy: 0.4885984343604396
Energy: -0.7878982533302485
Energy: 0.5134235939176549
Energy: 0.34254043930290945
Energy: 0.5134235941513284
Energy: 0.11054313682681113
Energy: 0.5222808242257961
Energy: 0.5540225028060373
Energy: 0.5222808239234492
Energy: -0.34630925482819735
Energy: 0.5392838599419556
Energy: 0.2120169193533977
Energy: 0.5392838599014225
Energy: 0.08730465690521909
Energy: 0.487461411206235
Energy: 0.30058095089569986
Energy: 0.48746141120679826
Energy: -0.25258109111520266
Energy: 0.3412699688935399
Energy: 0.11671847745022616
Energy: 0.3412701416809239
Energy: 0.07553632646604132
Energy: 0.3348936799497711
Energy: 0.045941508650523356
Energy: 0.33489367189735253
Energy: 0.01829165225471923
Energy: 0.5490039568792111
Energy: 0.10957344305927157
Energy: 0.5490039569253774
Energy: 0.11037456691997752
Energy: 0.3745594652899273
Energy: -0.15505598647513305
Energy: 0.37455946510411
Energy: 0.013207267807056968
Energy: 0.5249997429750478
Energy: 0.08017493483081377
Energy: 0.524999742956484
Energy: 0.1997793787879423
Energy: 0.5164553225074937
Energy: -0.2634016329228962
Energy: 0.5164553225012972
Energy: 0.3752459151150865
Energy: 0.5457551568334792
Energy: 0.10289438281720813
Energy: 0.5457551568284092
Energy: 0.6070525988662814
Energy: 0.5156148748900846
Energy: -0.9431957366559619
Energy: 0.5156148748895214
Energy: 0.39636837964635063
Energy: 0.36656969397284
Energy: 0.07979655561389516
Energy: 0.3665674572246203
Energy: 0.6360618028037339
Energy: 0.5380366822938123
Energy: -0.42787716168108736
Energy: 0.538036682293249
Energy: 0.6297510686834966
Energy: 0.5430862784633999
Energy: 0.10022618728071704
Energy: 0.5430862778108243
Energy: 0.2986842511754663
Energy: 0.5166727998424825
Energy: -0.9753007527709188
Energy: 0.5166727998847055
Energy: 0.4767093641591141
Energy: 0.35684347056987875
Energy: 0.0787500225769854
Energy: 0.35684358062443017
Energy: 0.22235492932185183
Energy: 0.5335940347101276
Energy: -0.12135400673444939
Energy: 0.5335940362878212
Energy: 0.13087645075444626
Energy: 0.5518375995691965
Energy: 0.10248157958743905
Energy: 0.5518375995714497
Energy: 0.1104552280184334
Energy: 0.34361509792453016
Energy: -0.11113179210849101
Energy: 0.34361509790314976
Energy: 0.012603440246445798
Energy: 0.5362914661488345
Energy: 0.07226776855279751
Energy: 0.5362914661561575
Energy: 0.11647628490958051
Energy: 0.543801238557459
Energy: 0.03944567015978794
Energy: 0.5438012385585858
Energy: -0.20364261504347558
Energy: 0.5568332590757595
Energy: 0.0922790724126734
Energy: 0.5568332590081874
Energy: 0.06016645062830052
Energy: 0.5239730035631632
Energy: 0.3974266527390353
Energy: 0.5239730035541502
Energy: -0.38112980979490174
Energy: 0.502999258309514
Energy: 0.16965366548370417
Energy: 0.5029992581203422
Energy: 0.11668683538403025
Energy: 0.5332640915526714
Energy: 0.29981472183970187
Energy: 0.5332640915532346

minimum gb energy = -0.9753007527709188 eV
minimum distance =  2.24890210214757 Angstroms
sigma value = 113


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

Energy: 0.016602350797657747
Energy: 0.017250094667904097
Energy: 0.4816347268456576
Energy: 0.017250094665786975
Energy: 0.48192561509822124
Energy: -5.397217097968287
Energy: -5.398842627775346
Energy: -5.397217097946707
Energy: 0.016602350797224698
Energy: 0.017250094667904097
Energy: 0.4815519414878454
Energy: 0.017250094666629013
Energy: 0.4819256150986302
Energy: -5.397217097950917
Energy: -5.398842627774504
Energy: -5.3972170979539005
Energy: 0.016602350797657747
Energy: 0.017250094668313086
Energy: -1.3454818435428437
Energy: 0.017250094666195964
Energy: 0.4819256150999053
Energy: -5.397217097950917
Energy: -5.398842627785932
Energy: -5.397217097939922

minimum gb energy = -5.398842627785932 eV
minimum distance =  2.45526299504788 Angstroms
sigma value = 1