Model name: model_name=Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863645762205124
cohesive_energy=4.29054709470667
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: 0.013215326048490399
Energy: 0.013577327581616202
Energy: 2.5529318375098904
Energy: 0.013577327581616202
Energy: 0.013577327581616202
Energy: 0.014138035150714693
Energy: 0.554592007550484
Energy: 0.014138035150714693
Energy: 2.552931837510862
Energy: 0.554592007550484
Energy: 0.5542283890145038
Energy: 0.554592007550484
Energy: 0.013577327581616202
Energy: 0.014138035150714693
Energy: 0.554592007550484
Energy: 0.014138035150714693

minimum gb energy = 0.013215326048490399 eV
minimum distance =  2.47545094939449 Angstroms
sigma value = 1


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

Energy: 1.4459774749449223
Energy: 1.2375782404560947
Energy: 1.2040415687614543
Energy: 1.2375782404560947
Energy: 1.4405892493578571
Energy: 0.8924685754601529
Energy: 0.9367213256564912
Energy: 0.8924685754601529
Energy: 1.559004616195514
Energy: 0.9351551986092087
Energy: 0.9145016674725771
Energy: 0.9351551986079966
Energy: 1.25397692686424
Energy: 0.8935921519598844
Energy: 0.9361494625010056
Energy: 0.8935921519610966
Energy: 1.250508680624631
Energy: 0.8934644719721905
Energy: 1.3044820117840592
Energy: 0.8934644719721905
Energy: 1.4558964619471915
Energy: 0.8982775235482127
Energy: 0.8981875254784395
Energy: 0.8982775235470005
Energy: 1.0827171048949056
Energy: 0.8982838710915918
Energy: 0.8982246375505574
Energy: 0.8982838710903795
Energy: 0.8945444895135938
Energy: 0.896278164966644
Energy: 1.2962442298096657
Energy: 0.896278164966644
Energy: 1.092959740577428
Energy: 1.056954126450355
Energy: 1.2562103305258512
Energy: 1.056954126450355
Energy: 1.5073122504860175
Energy: 0.8984218220726582
Energy: 1.090793626398545
Energy: 0.8984218220714458
Energy: 0.912192030030644
Energy: 0.9593791063550037
Energy: 1.1746751979673427
Energy: 0.9593791063537914
Energy: 0.9122283318510612
Energy: 0.9120970781451172
Energy: 1.8988931781638425
Energy: 0.9120970781451172
Energy: 1.103086876900928
Energy: 0.9593401762206842
Energy: 1.253967461722621
Energy: 0.9593401762206842
Energy: 0.933490590092176
Energy: 0.9592682761254627
Energy: 1.2534111629250853
Energy: 0.9592682761254627
Energy: 0.9332383619202343
Energy: 0.8972891906623929
Energy: 1.4433395547578347
Energy: 0.8972891906623929
Energy: 0.9333583558566375
Energy: 0.8971594115051738
Energy: 1.4434633569272517
Energy: 0.8971594115051738
Energy: 0.9376179846925037
Energy: 0.9584835717410123
Energy: 1.253356974300745
Energy: 0.9584835717410123
Energy: 1.1032731837053615
Energy: 0.9589836345136125
Energy: 1.2528841552138177
Energy: 0.9589836345148247
Energy: 0.9159762050776491
Energy: 0.9121346549308433
Energy: 1.9568642578255897
Energy: 0.9121346549308433
Energy: 0.9120951338033912
Energy: 0.9591878192997589
Energy: 1.0871920096694072
Energy: 0.959187819300916
Energy: 1.507260261979444
Energy: 0.8987963485802667
Energy: 1.0899001572355504
Energy: 0.8987963485802667
Energy: 1.092242958879965
Energy: 0.8932961847530184
Energy: 1.256232314266113
Energy: 0.8932961847518062
Energy: 0.9948696702683327
Energy: 0.8964637911879179
Energy: 1.0968943721818902
Energy: 0.89646379118913
Energy: 1.2713501907802267
Energy: 0.8984477810171309
Energy: 0.8982069110621766
Energy: 0.8984477810171309
Energy: 1.4553433626251628
Energy: 0.8982630817887848
Energy: 0.8984129660621278
Energy: 0.8982630817887848
Energy: 1.2502234054256827
Energy: 0.893736872371283
Energy: 1.3045014357548321
Energy: 0.893736872371283
Energy: 1.2514992059171663
Energy: 0.8933746890655243
Energy: 0.923490972394082
Energy: 0.8933746890655243
Energy: 1.663541617438488
Energy: 0.9351239392348856
Energy: 0.9151047376155585
Energy: 0.9351239392348856
Energy: 1.4409518475362086
Energy: 0.8923767619599476
Energy: 0.9366594430613082
Energy: 0.8923767619611598
Energy: 1.2642341127830459
Energy: 0.897446646799271
Energy: 0.9351865525910735
Energy: 0.897446646799271
Energy: 1.4424529167474718
Energy: 0.89235707012423
Energy: 0.9351543031573444
Energy: 0.89235707012423
Energy: 1.4546742854747519
Energy: 0.9105272151884181
Energy: 0.9151279883483501
Energy: 0.9105272151884181
Energy: 1.2504248467912038
Energy: 0.8934483924816669
Energy: 0.9785577704281444
Energy: 0.8934483924816669

minimum gb energy = 0.89235707012423 eV
minimum distance =  2.34610581367231 Angstroms
sigma value = 1


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

Energy: 1.5785083755060745
Energy: 0.9408914688849955
Energy: 0.9823835720448851
Energy: 0.9408914688836133
Energy: 1.3236042150195975
Energy: 0.9208221868715482
Energy: 1.0230404163268279
Energy: 0.9208221868715482
Energy: 1.3514049656592548
Energy: 0.9653700496504063
Energy: 0.9655755106728325
Energy: 0.9653700496504063
Energy: 0.9193268642343345
Energy: 0.9436671632137483
Energy: 1.0231313631525658
Energy: 0.9436671632137483
Energy: 0.9192311415211125
Energy: 0.9449858255488335
Energy: 1.4359642552932392
Energy: 0.9449858255488335
Energy: 1.3513133604430645
Energy: 0.9437163094650077
Energy: 0.9437352607766912
Energy: 0.9437163094650077
Energy: 0.9679086297343965
Energy: 0.9940188484161115
Energy: 0.9435849517360902
Energy: 0.9940188484161115
Energy: 0.9437559130386716
Energy: 0.9435784757217479
Energy: 1.4352696013608126
Energy: 0.9435784757217479
Energy: 0.9661941361460202
Energy: 0.9196569803119735
Energy: 1.3538668210260925
Energy: 0.9196569803119735
Energy: 1.0228881745828962
Energy: 0.9193704322862797
Energy: 0.9193270947840625
Energy: 0.9193704322862797
Energy: 0.9450458816675197
Energy: 1.1122091034345405
Energy: 1.354526012702079
Energy: 1.1122091034345405
Energy: 0.944397973697362
Energy: 0.9439899889349198
Energy: 1.8148742024347817
Energy: 0.943989988936302
Energy: 1.0233041048249842
Energy: 0.9195863838235101
Energy: 1.3224836248410659
Energy: 0.9195863838235101
Energy: 1.0233041048249842
Energy: 0.9196482096687739
Energy: 1.3224603566234834
Energy: 0.9196482096687739
Energy: 0.944488012285892
Energy: 0.9439621090582869
Energy: 1.8148335189767075
Energy: 0.9439621090582869
Energy: 0.9450918230867832
Energy: 1.112251769141446
Energy: 1.3544938879686925
Energy: 1.112251769141446
Energy: 1.0228881745815137
Energy: 0.9193656698438003
Energy: 0.9193166994630146
Energy: 0.9193656698438003
Energy: 0.9660063394607507
Energy: 0.9195820108637603
Energy: 1.3538189540294425
Energy: 0.9195820108637603
Energy: 0.9436572422975965
Energy: 0.9435794071754691
Energy: 1.4352696013621946
Energy: 0.9435794071754691
Energy: 0.9676187826044577
Energy: 0.9940687672157018
Energy: 0.9437388220413249
Energy: 0.9940687672157018
Energy: 1.3513149032781755
Energy: 0.9437596468622457
Energy: 0.9437336825511561
Energy: 0.9437596468622457
Energy: 0.9193204624767851
Energy: 0.945753686910373
Energy: 1.4359642552946212
Energy: 0.945753686910373
Energy: 0.9193116799082703
Energy: 0.9437242856765903
Energy: 1.0231313631553303
Energy: 0.9437242856765903
Energy: 1.3513467664618886
Energy: 0.9653788010807934
Energy: 0.9655403875537424
Energy: 0.9653788010807934
Energy: 1.3239295213763038
Energy: 0.9206267895428094
Energy: 1.0230404163254456
Energy: 0.9206267895428094
Energy: 1.5785083755060745
Energy: 0.9408914688849955
Energy: 0.9823835806034128
Energy: 0.9408914688836133
Energy: 1.3236042150195975
Energy: 0.9208221868701659
Energy: 1.0230404163254456
Energy: 0.9208221868701659
Energy: 1.3514049656592548
Energy: 0.9653700496504063
Energy: 0.9655755106714503
Energy: 0.9653700496504063
Energy: 0.9193268642343345
Energy: 0.9436671632137483
Energy: 1.023131363153948
Energy: 0.9436671632137483

minimum gb energy = 0.9192311415211125 eV
minimum distance =  2.33567647721231 Angstroms
sigma value = 25


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

Energy: 1.3524342357191224
Energy: 1.1113041094166631
Energy: 1.04183772746358
Energy: 1.1113041094166631
Energy: 1.444274643499604
Energy: 0.9934068138499308
Energy: 1.0686672948836051
Energy: 0.9934068138499308
Energy: 1.4608122547453173
Energy: 1.0240903933188692
Energy: 1.0242875403842002
Energy: 1.0240903933188692
Energy: 1.2560263383168428
Energy: 0.9888742206244762
Energy: 1.0686908076951156
Energy: 0.9888742206260828
Energy: 1.2551922893441165
Energy: 0.9885265233473233
Energy: 1.2640748211433477
Energy: 0.9885265233473233
Energy: 1.460072436453872
Energy: 0.9934121693102506
Energy: 0.9933018878822574
Energy: 0.9934121693102506
Energy: 1.020377205361041
Energy: 0.9885846892225485
Energy: 0.993276238296209
Energy: 0.9885846892209417
Energy: 0.9980578830489238
Energy: 1.0198109245836242
Energy: 1.53853338215668
Energy: 1.0198109245836242
Energy: 1.0735517625723405
Energy: 1.0771802143643712
Energy: 1.246451049137535
Energy: 1.0771802143643712
Energy: 1.066473370763551
Energy: 0.9826635062430256
Energy: 1.2462857352888044
Energy: 0.9826635062430256
Energy: 1.061360461991562
Energy: 0.9885156611989568
Energy: 1.4487494573357922
Energy: 0.9885156611989568
Energy: 1.0530060959544831
Energy: 1.0201001202958433
Energy: 1.4480566961382701
Energy: 1.0201001202958433
Energy: 1.0880040367006465
Energy: 0.9827843982705328
Energy: 1.2464144868627371
Energy: 0.9827843982705328
Energy: 1.073663193576641
Energy: 1.077247731413327
Energy: 1.2462022240575479
Energy: 1.077247731413327
Energy: 1.0199520105008162
Energy: 1.0198525202044773
Energy: 1.8027322403073502
Energy: 1.0198525202044773
Energy: 1.0199872408556123
Energy: 0.9885469856278349
Energy: 0.993332554388303
Energy: 0.9885469856278349
Energy: 1.7812765601328242
Energy: 0.9932823262116053
Energy: 0.9932970847961006
Energy: 0.9932823262116053
Energy: 1.2549149758369647
Energy: 0.9885305304230956
Energy: 1.2646918935690272
Energy: 0.9885305304230956
Energy: 1.1251324821124042
Energy: 0.9886051530962123
Energy: 1.0687210490162697
Energy: 0.9886051530962123
Energy: 1.2351449462185211
Energy: 0.9932985470900717
Energy: 1.0246264594376933
Energy: 0.9932985470900717
Energy: 1.4459737901453462
Energy: 0.9932717662825806
Energy: 1.0248048968258714
Energy: 0.9932717662825806
Energy: 1.2567682491512953
Energy: 0.9827807540529581
Energy: 1.0687538401523575
Energy: 0.9827807540529581
Energy: 1.4462884105862432
Energy: 1.0697874138292154
Energy: 1.0685893572056506
Energy: 1.069787413827609
Energy: 1.610935340626802
Energy: 1.0325769804488034
Energy: 1.033207921132252
Energy: 1.0325769804488034
Energy: 1.2553451604342738
Energy: 0.9888070336940341
Energy: 1.0156124620107045
Energy: 0.9888070336956409

minimum gb energy = 0.9826635062430256 eV
minimum distance =  2.34703338920492 Angstroms
sigma value = 9


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

Energy: 1.001493021867543
Energy: 1.0005368070606968
Energy: 1.1317480440506609
Energy: 1.0005368070605007
Energy: 1.001064055123422
Energy: 1.0427254745735874
Energy: 1.0425449655388994
Energy: 1.0427254745737833
Energy: 1.0938689046432923
Energy: 1.0940248660054048
Energy: 1.094015114841645
Energy: 1.0940248660054048
Energy: 1.0426722886958164
Energy: 1.042666331119545
Energy: 1.0426263088131864
Energy: 1.042666331119349
Energy: 1.0429702494040525
Energy: 1.0434784288421832
Energy: 1.0938838087228324
Energy: 1.043478428842379
Energy: 1.7951137826146681
Energy: 1.0428938411366333
Energy: 1.0426925272997796
Energy: 1.042893841136459
Energy: 1.0425965497266103
Energy: 1.0433549895028018
Energy: 1.0429483152169294
Energy: 1.0433549895028018
Energy: 1.0427623980297647
Energy: 1.04350591384281
Energy: 1.5917183363236311
Energy: 1.0435059138426142
Energy: 1.233132784465843
Energy: 1.0432958289553556
Energy: 1.0005990464959817
Energy: 1.0432958289553556
Energy: 1.2337149751603078
Energy: 1.0006218153960222
Energy: 1.0006819329077008
Energy: 1.0006218153960222
Energy: 1.0435852776726953
Energy: 1.143595414020285
Energy: 1.591485858989055
Energy: 1.143595414020089
Energy: 1.1332912959717543
Energy: 1.0004930759523156
Energy: 1.094259534771287
Energy: 1.0004930759521415
Energy: 1.2331062868635334
Energy: 1.0426684861261926
Energy: 1.0431572545159487
Energy: 1.0426684861261926
Energy: 1.093991674585817
Energy: 1.097603458615803
Energy: 1.0939975111564393
Energy: 1.097603458615803
Energy: 1.0431565566560481
Energy: 1.0426673436628555
Energy: 1.2331062868639255
Energy: 1.0426673436626592
Energy: 1.094071068888469
Energy: 1.0005083134608885
Energy: 1.1332231134308037
Energy: 1.0005083134604966
Energy: 1.5914422990510935
Energy: 1.1435845675458796
Energy: 1.043615897333148
Energy: 1.1435845675456835
Energy: 1.000644577638355
Energy: 1.0006297100591166
Energy: 1.233714975160874
Energy: 1.0006297100589205
Energy: 1.000619760533608
Energy: 1.0432800189435842
Energy: 1.2331327844664313
Energy: 1.04328001894341
Energy: 1.5916959669313662
Energy: 1.0434101924418058
Energy: 1.042752298951447
Energy: 1.0434101924418058
Energy: 1.0429267881361166
Energy: 1.0433108753158329
Energy: 1.0440075728413318
Energy: 1.0433108753162033

minimum gb energy = 1.0004930759521415 eV
minimum distance =  2.32129956329476 Angstroms
sigma value = 25


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

Energy: 1.1449384182391138
Energy: 1.101505923720582
Energy: 1.2035738014558461
Energy: 1.1015059237203664
Energy: 1.428247431988071
Energy: 1.1972094679987073
Energy: 1.1609233653141027
Energy: 1.19720946799895
Energy: 1.284239850230468
Energy: 1.1484056952162711
Energy: 1.1615800736396185
Energy: 1.1484056952160289
Energy: 1.1102049467583752
Energy: 1.1887601497543423
Energy: 1.128886179647848
Energy: 1.1887601497543423
Energy: 1.1896709510542929
Energy: 1.1967998202163954
Energy: 1.4698067952837615
Energy: 1.1967998202166377
Energy: 1.5355531732094125
Energy: 1.1425968874133516
Energy: 1.142479847510107
Energy: 1.1425968874133516
Energy: 1.2427224191277402
Energy: 1.189760575091994
Energy: 1.1428361910657208
Energy: 1.189760575091994
Energy: 1.1894095047843476
Energy: 1.2208788315808077
Energy: 1.4705435928881703
Energy: 1.2208788315808077
Energy: 1.2214750821506088
Energy: 1.142746598633656
Energy: 1.1423818767435
Energy: 1.142746598633656
Energy: 1.268881333858658
Energy: 1.1433516685273364
Energy: 1.1424148412332045
Energy: 1.1433516685268783
Energy: 1.1484519409502798
Energy: 1.1891612593894396
Energy: 1.4649611350629452
Energy: 1.1891612593894396
Energy: 1.1887501234694424
Energy: 1.1434965115125428
Energy: 1.1302374219980407
Energy: 1.1434965115123004
Energy: 1.4163067525899342
Energy: 1.1482438246244147
Energy: 1.1496996548316423
Energy: 1.1482438246241724
Energy: 1.4460266108223978
Energy: 1.1965779740044535
Energy: 1.2856056789442152
Energy: 1.196577974004696
Energy: 1.4462674273867075
Energy: 1.086699111147712
Energy: 1.2851428327045784
Energy: 1.0866991111484123
Energy: 1.4278169109539136
Energy: 1.1344197410322154
Energy: 1.1290411601267254
Energy: 1.134419741032431
Energy: 1.1888984142753891
Energy: 1.1427748185147468
Energy: 1.1492895243645087
Energy: 1.1427748185147468

minimum gb energy = 1.086699111147712 eV
minimum distance =  2.30365126208643 Angstroms
sigma value = 17


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

Energy: 1.5644467060603096
Energy: 1.163328159151942
Energy: 1.25494021211907
Energy: 1.163328159151942
Energy: 1.3832782744384122
Energy: 1.2253268282425325
Energy: 1.268819906075068
Energy: 1.2253268282425325
Energy: 1.3831729336232172
Energy: 1.2110934544110101
Energy: 1.1914413186362944
Energy: 1.2110934544110101
Energy: 1.1848363160776076
Energy: 1.1828472483800678
Energy: 1.2342603379867279
Energy: 1.1828472483800678
Energy: 1.2223274572417815
Energy: 1.224834297504049
Energy: 1.4176573459422634
Energy: 1.224834297504049
Energy: 1.4109823576253662
Energy: 1.1620278251441787
Energy: 1.20698196171197
Energy: 1.1620278251441787
Energy: 1.3105430958341227
Energy: 1.1839527607417
Energy: 1.375759979731262
Energy: 1.1839527607417
Energy: 1.2165291272680454
Energy: 1.1822811636223918
Energy: 1.464278888402605
Energy: 1.1822811636223918
Energy: 1.1968114634769653
Energy: 1.227424067056392
Energy: 1.168252889882821
Energy: 1.227424067056392
Energy: 1.4098766443365018
Energy: 1.1639818140431302
Energy: 1.2300924737271834
Energy: 1.1639818140431302
Energy: 1.2096696059002365
Energy: 1.209736270344016
Energy: 1.4354033358609088
Energy: 1.209736270344016
Energy: 1.209590249196787
Energy: 1.2278812998127009
Energy: 1.2608325910141263
Energy: 1.2278812998127009
Energy: 1.394240380835595
Energy: 1.240818479762793
Energy: 1.2616071148423673
Energy: 1.2408184797641353
Energy: 1.209519016958206
Energy: 1.2099595704822719
Energy: 1.2440298701788972
Energy: 1.2099595704822719
Energy: 1.2100452565135167
Energy: 1.1792563141386525
Energy: 1.4459770099967104
Energy: 1.1792563141386525
Energy: 1.4413150482458794
Energy: 1.227672488963126
Energy: 1.1681018596149222
Energy: 1.227672488963126
Energy: 1.2180980428948274
Energy: 1.2697426823106077
Energy: 1.2274569282102068
Energy: 1.2697426823106077
Energy: 1.1972299525147245
Energy: 1.2529114325290946
Energy: 1.3943586116252737
Energy: 1.2529114325290946
Energy: 1.2973957639678162
Energy: 1.162872642510023
Energy: 1.364713382343719
Energy: 1.162872642510023
Energy: 1.4057997000858287
Energy: 1.1623998563800029
Energy: 1.364835632212519
Energy: 1.1623998563800029
Energy: 1.1821188830991918
Energy: 1.2596081926362308
Energy: 1.4368819196834164
Energy: 1.2596081926362308
Energy: 1.182156883036936
Energy: 1.275916452484864
Energy: 1.2108046701774615
Energy: 1.275916452484864
Energy: 1.4040453249667337
Energy: 1.2108613947211713
Energy: 1.1939599842463382
Energy: 1.2108613947211713
Energy: 1.3628675506572563
Energy: 1.1684937935884503
Energy: 1.3039483574878237
Energy: 1.1684937935884503
Energy: 1.362877560085421
Energy: 1.1674285664870179
Energy: 1.3786450099088736
Energy: 1.1674285664870179
Energy: 1.4116252139274843
Energy: 1.2097266829025284
Energy: 1.2110525146273334
Energy: 1.2097266829025284
Energy: 1.1791130716969724
Energy: 1.2280930199810505
Energy: 1.1938543704397173
Energy: 1.2280930199810505
Energy: 1.1828704107956005
Energy: 1.182247531155647
Energy: 1.4430050407624062
Energy: 1.182247531155647
Energy: 1.3770471213749265
Energy: 1.1624761301799496
Energy: 1.366749585145978
Energy: 1.1624761301799496
Energy: 1.2571578146177513
Energy: 1.1621121821751688
Energy: 1.205108788617377
Energy: 1.162112182176511

minimum gb energy = 1.1620278251441787 eV
minimum distance =  2.30905178618418 Angstroms
sigma value = 53


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

Energy: 1.1943663621226208
Energy: 1.1974570885274742
Energy: 1.3744162429800777
Energy: 1.1974570885277902
Energy: 1.2762407042558395
Energy: 1.1960275249187424
Energy: 1.194417810715633
Energy: 1.1960275249196557
Energy: 1.194286429782923
Energy: 1.2971453558320345
Energy: 1.3068043724829703
Energy: 1.2971453558320345
Energy: 1.3067910640807605
Energy: 1.2971248947468625
Energy: 1.1941791013013756
Energy: 1.2971248947468625
Energy: 1.1942308545196512
Energy: 1.197357158945839
Energy: 1.27638821809063
Energy: 1.197357158945839
Energy: 2.5181404677246237
Energy: 1.1974570885277902
Energy: 1.1943663621229368
Energy: 1.1974570885274742
Energy: 1.194417810715633
Energy: 1.1960275249193746
Energy: 1.2762407042558395
Energy: 1.1960275249187424
Energy: 1.3068043724826541
Energy: 1.2971453558323507
Energy: 1.1942864302212894
Energy: 1.2971453558320345
Energy: 1.194179101254104
Energy: 1.2971248947468625
Energy: 1.3067910640807605
Energy: 1.2971248947468625
Energy: 1.27638821809063
Energy: 1.1973571589455578
Energy: 1.1942308545199671
Energy: 1.1973571589455578
Energy: 1.1943663621226208
Energy: 1.1974570885274742
Energy: 1.3744162733259642
Energy: 1.1974570885277902
Energy: 1.2762407042555233
Energy: 1.1960275249187424
Energy: 1.1944178107153518
Energy: 1.1960275249193746
Energy: 1.1942864306173009
Energy: 1.2971453558320345
Energy: 1.3068043724826541
Energy: 1.2971453558323507

minimum gb energy = 1.194179101254104 eV
minimum distance =  2.31510925722934 Angstroms
sigma value = 9


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

Energy: 1.3937339074497166
Energy: 1.2865580941852153
Energy: 1.446207024685839
Energy: 1.2865580941852153
Energy: 1.5522805734712808
Energy: 1.2781638766126946
Energy: 1.393221308369307
Energy: 1.2781638766126946
Energy: 1.3226737915787206
Energy: 1.2510151634974995
Energy: 1.2512640000209188
Energy: 1.2510151634974995
Energy: 1.261844370733289
Energy: 1.2748618669107419
Energy: 1.3653372506955117
Energy: 1.2748618669107419
Energy: 1.3187627898002885
Energy: 1.237767922838756
Energy: 1.5555386344279498
Energy: 1.237767922838756
Energy: 1.519886648852733
Energy: 1.3491106197297356
Energy: 1.391333397406284
Energy: 1.3491106197297356
Energy: 2.065552359152106
Energy: 1.328232374092426
Energy: 1.5785031913800376
Energy: 1.328232374092426
Energy: 1.23791377379986
Energy: 1.2828384555349082
Energy: 1.3255234120854158
Energy: 1.2828384555337642
Energy: 1.3303462894508538
Energy: 1.2513864151574479
Energy: 1.2863842575283704
Energy: 1.2513864151574479
Energy: 1.3980092632069063
Energy: 1.2514479610771945
Energy: 1.3497485408157601
Energy: 1.2514479610771945
Energy: 1.2625264285402396
Energy: 1.3574232090285578
Energy: 1.548211647881176
Energy: 1.3574232090285578
Energy: 1.595729562324037
Energy: 1.334195626115493
Energy: 1.3260432862634857
Energy: 1.334195626115493
Energy: 1.3123327087891115
Energy: 1.2664396078626077
Energy: 1.2689672137815307
Energy: 1.2664396078626077
Energy: 1.3167776370518394
Energy: 1.3252970558843824
Energy: 1.4179986970766207
Energy: 1.3252970558843824
Energy: 1.321700072904377
Energy: 1.2829966035979259
Energy: 1.2663816910607424
Energy: 1.2829966035979259
Energy: 1.5526851228868952
Energy: 1.2663869179711154
Energy: 1.271727569938858
Energy: 1.2663869179711154
Energy: 1.42997279818837
Energy: 1.267070441135305
Energy: 1.6179266355433661
Energy: 1.267070441135305
Energy: 1.265778294079348
Energy: 1.3564551001160194
Energy: 1.3451703630946523
Energy: 1.3564551001160194
Energy: 1.5874686115125454
Energy: 1.3518870450743359
Energy: 1.3085435863269805
Energy: 1.351887045073192
Energy: 1.282648493251324
Energy: 1.2663158616624544
Energy: 1.2820256227630429
Energy: 1.2663158616624544
Energy: 1.2369338846849927
Energy: 1.2833547867419945
Energy: 1.3083961978412055
Energy: 1.2833547867408508
Energy: 1.5312621529466153
Energy: 1.2375164653191788
Energy: 1.388458556060426
Energy: 1.2375164653191788
Energy: 1.4166068335360333
Energy: 1.3459181473354465
Energy: 1.3896656334395405
Energy: 1.3459181473343027
Energy: 1.3375817927969216
Energy: 1.3571438674468526
Energy: 1.4825946104747298
Energy: 1.3571438674468526
Energy: 1.2607556184976898
Energy: 1.2830492465295635
Energy: 1.250849051690104
Energy: 1.2830492465295635
Energy: 1.4920060285922863
Energy: 1.310123664629078
Energy: 1.2513890133162695
Energy: 1.310123664629078
Energy: 1.577239887392468
Energy: 1.2329992615789598
Energy: 1.5645630105474757
Energy: 1.2329992615801035
Energy: 1.392808171626586
Energy: 1.2328788227210077
Energy: 1.5638139495349201
Energy: 1.2328788227210077
Energy: 1.4777283033497914
Energy: 1.310792699051486
Energy: 1.2989355550450248
Energy: 1.3107926990526297
Energy: 1.2604675081341408
Energy: 1.2837068069563022
Energy: 1.2508144199270297
Energy: 1.2837068069563022
Energy: 1.3113225619949722
Energy: 1.3547336717617433
Energy: 1.4785403281302671
Energy: 1.3547336717617433
Energy: 1.4168128456635896
Energy: 1.2373020336999485
Energy: 1.392342032799928
Energy: 1.2373020336999485
Energy: 1.6240652092207548
Energy: 1.2373080632184297
Energy: 1.3885538424427288
Energy: 1.2373080632184297
Energy: 1.2369691330573893
Energy: 1.2837495691181475
Energy: 1.5697329150139934
Energy: 1.2837495691181475
Energy: 1.2589862281900641
Energy: 1.2665427278674997
Energy: 1.281746754656645
Energy: 1.2665427278685912

minimum gb energy = 1.2328788227210077 eV
minimum distance =  2.27054698587321 Angstroms
sigma value = 73


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

Energy: 1.4448595422916675
Energy: 1.357213459347729
Energy: 1.4953915490764824
Energy: 1.357213459347729
Energy: 1.46952336903674
Energy: 1.2977969689332318
Energy: 1.40584135742338
Energy: 1.2977969689334177
Energy: 1.34963421192295
Energy: 1.3150992564565125
Energy: 1.2293849406135742
Energy: 1.3150992564565125
Energy: 1.2765135335959474
Energy: 1.2568031502270172
Energy: 1.3727482134813926
Energy: 1.2568031502270172
Energy: 1.4298717811758432
Energy: 1.2568264750331946
Energy: 1.4592630289682704
Energy: 1.2568264750330091
Energy: 1.6705637816175996
Energy: 1.3796041583897025
Energy: 1.2397404135519507
Energy: 1.3796041583895375
Energy: 1.3165841395039262
Energy: 1.3001058686055773
Energy: 1.5045172497706234
Energy: 1.3001058686055773
Energy: 1.2586126865665497
Energy: 1.2567827548531811
Energy: 1.360454158079626
Energy: 1.2567827548533461
Energy: 1.5278940674820036
Energy: 1.3148092814231604
Energy: 1.3543886864145938
Energy: 1.3148092814231604
Energy: 1.2568233031795717
Energy: 1.315093448140281
Energy: 1.3548521400137605
Energy: 1.3150934481401158
Energy: 1.256671936970255
Energy: 1.2567394287251399
Energy: 1.6456692959950334
Energy: 1.2567394287251399
Energy: 1.5647900754796147
Energy: 1.2566987508616254
Energy: 1.477830520576895
Energy: 1.25669875086144
Energy: 1.4283237003259195
Energy: 1.2570505411207145
Energy: 1.2384385086245202
Energy: 1.2570505411207145
Energy: 1.3147795787860987
Energy: 1.4229201829234017
Energy: 1.5263946294913773
Energy: 1.4229201829237728
Energy: 1.276156501276397
Energy: 1.2566585790838474
Energy: 1.3145429030164628
Energy: 1.2566585790838474
Energy: 1.4076022610088925
Energy: 1.3151682754778478
Energy: 1.229628655866439
Energy: 1.3151682754776621
Energy: 1.4302812369329614
Energy: 1.2382300168348759
Energy: 1.6531876995564583
Energy: 1.2382300168350615
Energy: 1.4305721134379235
Energy: 1.238187991384995
Energy: 1.6523918542261677
Energy: 1.2381879913848093
Energy: 1.5950337978620226
Energy: 1.315559182146142
Energy: 1.3147325337623388
Energy: 1.315559182146142
Energy: 1.2760324311075548
Energy: 1.2568002002896657
Energy: 1.2294028288923216
Energy: 1.2568002002896657
Energy: 1.3504636568331259
Energy: 1.2777637807374074
Energy: 1.5287193790961524
Energy: 1.277763780737593
Energy: 1.4283187147907939
Energy: 1.2568416451273987
Energy: 1.2383470798827085
Energy: 1.2568416451275841

minimum gb energy = 1.2293849406135742 eV
minimum distance =  2.26832138412555 Angstroms
sigma value = 7


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

Energy: 1.5800839557133137
Energy: 1.386340329550868
Energy: 1.4858906505336051
Energy: 1.386340329550868
Energy: 1.516479789685402
Energy: 1.3062332064339743
Energy: 1.3169747184125158
Energy: 1.3062332064339743
Energy: 1.2995796555009604
Energy: 1.2794862315326796
Energy: 1.2809485984925455
Energy: 1.2794862315326796
Energy: 1.3048320578182913
Energy: 1.2322119626992607
Energy: 1.2803011784767147
Energy: 1.2322119626992607
Energy: 1.3932811389345217
Energy: 1.2797091640359548
Energy: 1.2317977275523273
Energy: 1.2797091640359548
Energy: 1.8140565079477067
Energy: 1.2318231611508257
Energy: 1.2346343674316065
Energy: 1.2318231611508257
Energy: 1.2735118167352721
Energy: 1.3140696191861485
Energy: 1.5851152208639852
Energy: 1.3140696191861485
Energy: 1.2347735665451864
Energy: 1.2320943295239877
Energy: 1.3868906798648335
Energy: 1.2320943295239877
Energy: 1.6223305195797446
Energy: 1.2799919335450636
Energy: 1.3163467701699532
Energy: 1.2799919335450636
Energy: 1.2795269500750777
Energy: 1.2319842065019946
Energy: 1.3051680060935378
Energy: 1.2319842065007112
Energy: 1.2794513273999804
Energy: 1.2796289498067617
Energy: 1.3820240166112643
Energy: 1.279628949808045
Energy: 1.7268333255494457
Energy: 1.2318916966118743
Energy: 1.4957549797174656
Energy: 1.2318916966118743
Energy: 1.7235236473886923
Energy: 1.2322819664843672
Energy: 1.497385904026321
Energy: 1.2322819664843672
Energy: 1.2801398819387062
Energy: 1.279972225591404
Energy: 1.6509854111058673
Energy: 1.279972225591404
Energy: 1.2793586305419329
Energy: 1.2319212029669862
Energy: 1.299554050938938
Energy: 1.2319212029669862
Energy: 1.6212330083192685
Energy: 1.3820537193634979
Energy: 1.3141522843723654
Energy: 1.3820537193634979
Energy: 1.2315290940053925
Energy: 1.2320324454683493
Energy: 1.386937971550587
Energy: 1.2320324454683493
Energy: 1.2319025952238032
Energy: 1.2796626715598067
Energy: 1.6134680290337962
Energy: 1.2796626715598067
Energy: 1.829346783028012
Energy: 1.231889939418758
Energy: 1.2316750133854462
Energy: 1.231889939418758
Energy: 1.3880027014645526
Energy: 1.2802871397222197
Energy: 1.2317067664340673
Energy: 1.2802871397222197
Energy: 1.2995777445249377
Energy: 1.3138549007309186
Energy: 1.3996479441300245
Energy: 1.3138549007322018
Energy: 1.299454052582307
Energy: 1.2799302771115608
Energy: 1.284494394873798
Energy: 1.2799302771115608
Energy: 1.516567235077014
Energy: 1.3081192184985075
Energy: 1.3156812708172465
Energy: 1.3081192184985075
Energy: 1.494714453454287
Energy: 1.2326326054351986
Energy: 1.7226314054816334
Energy: 1.2326326054351986
Energy: 1.5002531700299873
Energy: 1.2316490615564128
Energy: 1.3018672397130489
Energy: 1.2316490615564128
Energy: 1.382585413583364
Energy: 1.2802229720617846
Energy: 1.284436284677549
Energy: 1.2802229720617846
Energy: 1.3012645105240896
Energy: 1.2321168081982399
Energy: 1.2802013960375056
Energy: 1.2321168081982399
Energy: 1.3873732916398505
Energy: 1.2799999999997265
Energy: 1.5564841114963466
Energy: 1.2800000000010094
Energy: 1.386891543946221
Energy: 1.2317115727511283
Energy: 1.231513621946076
Energy: 1.2317115727511283
Energy: 1.5907833454235216
Energy: 1.332275068225244
Energy: 1.5909795650129042
Energy: 1.3322750682239608
Energy: 1.2315048771721941
Energy: 1.2316933584871694
Energy: 1.3868915439449376
Energy: 1.2316933584871694

minimum gb energy = 1.2315048771721941 eV
minimum distance =  2.28850305372012 Angstroms
sigma value = 29


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

Energy: 1.111247354856685
Energy: 1.1997861158309007
Energy: 1.4983048650349544
Energy: 1.1997861158309007
Energy: 1.5771291953955242
Energy: 1.190578987011175
Energy: 1.1976517854800086
Energy: 1.190578987011175
Energy: 1.4980172398324416
Energy: 1.1676510811308982
Energy: 1.1689482048678685
Energy: 1.1676510811308982
Energy: 1.6281887444855907
Energy: 1.1998360848663743
Energy: 1.1683734437118984
Energy: 1.1998360848663743
Energy: 1.6633520936018225
Energy: 1.1677788386422543
Energy: 1.1681788639173423
Energy: 1.1677788386422543
Energy: 1.4485006765509305
Energy: 1.16889755391336
Energy: 1.1677819585233278
Energy: 1.16889755391336
Energy: 1.5773677521897504
Energy: 1.167608448457519
Energy: 1.4772181098218051
Energy: 1.1676084484570723
Energy: 1.1097493893195225
Energy: 1.169215809882648
Energy: 1.83358389279645
Energy: 1.169215809882648
Energy: 1.6150106787820242
Energy: 1.19811053176262
Energy: 1.1985923076172862
Energy: 1.19811053176262

minimum gb energy = 1.1097493893195225 eV
minimum distance =  2.34076091282839 Angstroms
sigma value = 5


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

Energy: 1.362015082436874
Energy: 1.238426420978192
Energy: 1.5479706487625635
Energy: 1.238426420978192
Energy: 1.3561389942425093
Energy: 1.2125143666129576
Energy: 1.3198012537026316
Energy: 1.2125143666129576
Energy: 1.2750445734856921
Energy: 1.2675714776388673
Energy: 1.2659486740691421
Energy: 1.2675714776388673
Energy: 1.2749488523018102
Energy: 1.2767803626838603
Energy: 1.3436074515798808
Energy: 1.2767803626838603
Energy: 1.206524689707728
Energy: 1.266709904644644
Energy: 1.238677896460969
Energy: 1.266709904644644
Energy: 1.3390406536755142
Energy: 1.2961918749807282
Energy: 1.2359584812553788
Energy: 1.2961918749807282
Energy: 1.3407221108056546
Energy: 1.250416283281421
Energy: 1.3932467312161452
Energy: 1.250416283282633
Energy: 1.343212913303154
Energy: 1.2498787133737623
Energy: 1.5186635491408724
Energy: 1.2498787133737623
Energy: 1.5440915397296775
Energy: 1.230048760190465
Energy: 1.3331754133710507
Energy: 1.230048760190465
Energy: 1.5459959273890727
Energy: 1.2302944891622118
Energy: 1.335796171159588
Energy: 1.2302944891622118
Energy: 1.2658223621534141
Energy: 1.2677157736708928
Energy: 1.4041672088464285
Energy: 1.2677157736708928
Energy: 1.266841082049004
Energy: 1.2675453700352164
Energy: 1.235998474829751
Energy: 1.2675453700352164
Energy: 1.369856105896464
Energy: 1.3189082346024952
Energy: 1.2347782926478292
Energy: 1.3189082346024952
Energy: 1.2243488552720898
Energy: 1.2688360967949524
Energy: 1.2349018827002647
Energy: 1.2688360967961643
Energy: 1.2470504599019756
Energy: 1.3688480498058873
Energy: 1.4440384263666384
Energy: 1.3688480498058873
Energy: 1.5870516359819402
Energy: 1.2411605943797077
Energy: 1.3319289925198614
Energy: 1.2411605943784956
Energy: 1.4394101215743498
Energy: 1.2313972775962545
Energy: 1.4604862220995536
Energy: 1.2313972775950424
Energy: 1.2450936944895397
Energy: 1.2519895136420316
Energy: 1.5239122791176942
Energy: 1.2519895136420316
Energy: 1.3416213591844672
Energy: 1.2475102026512133
Energy: 1.2952571219943616
Energy: 1.2475102026512133
Energy: 1.2634275644727107
Energy: 1.2670203729866687
Energy: 1.2408295863766239
Energy: 1.2670203729866687
Energy: 1.2645144389128256
Energy: 1.2761160317662288
Energy: 1.2961472358338073
Energy: 1.276116031767441
Energy: 1.354441143740748
Energy: 1.2671293664179353
Energy: 1.2498954259316202
Energy: 1.2671293664179353
Energy: 1.2752388955365095
Energy: 1.2662054459828445
Energy: 1.2517820285084507
Energy: 1.2662054459828445
Energy: 1.467084952092932
Energy: 1.2273109671421567
Energy: 1.6487310521954768
Energy: 1.2273109671421567
Energy: 1.462737815576217
Energy: 1.2277485962729335
Energy: 1.7012073043931781
Energy: 1.2277485962729335
Energy: 1.4508484162258959
Energy: 1.2658329351336508
Energy: 1.2497020807656587
Energy: 1.2658329351324389
Energy: 1.278872142536014
Energy: 1.2655810256067483
Energy: 1.2519472446011077
Energy: 1.2655810256067483
Energy: 1.3026413676373014
Energy: 1.2775737805894956
Energy: 1.408280728156898
Energy: 1.277573780590708
Energy: 1.2651897950016466
Energy: 1.2673093512732119
Energy: 1.2381734944231768
Energy: 1.2673093512732119
Energy: 1.3570570770969816
Energy: 1.3726358737159998
Energy: 1.3029536796466048
Energy: 1.3726358737159998
Energy: 1.338668286218379
Energy: 1.252490412008525
Energy: 1.3905778184877549
Energy: 1.252490412008525
Energy: 1.33999234107123
Energy: 1.2205073197025298
Energy: 1.5142311017996717
Energy: 1.2205073197025298
Energy: 1.7059657561978379
Energy: 1.2325301018227575
Energy: 1.3312298149922155
Energy: 1.2325301018227575

minimum gb energy = 1.206524689707728 eV
minimum distance =  2.27536334387092 Angstroms
sigma value = 1


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

Energy: 1.233207383349467
Energy: 1.1846563522903324
Energy: 1.5526851125401422
Energy: 1.1846563522903324
Energy: 1.1801237446371333
Energy: 1.195056674021278
Energy: 1.2463949952439688
Energy: 1.195056674022954
Energy: 1.3913734800103417
Energy: 1.2452427767095116
Energy: 1.3089053094517686
Energy: 1.2452427767095116
Energy: 1.2455814142618697
Energy: 1.2457106232181416
Energy: 1.2724821080478652
Energy: 1.2457106232181416
Energy: 1.1955146195036566
Energy: 1.1847680897886066
Energy: 1.1954492750557737
Energy: 1.1847680897886066
Energy: 1.1959772248531477
Energy: 1.245976462724684
Energy: 1.1954113806459414
Energy: 1.245976462724684
Energy: 1.2728167047258567
Energy: 1.245474154647307
Energy: 1.3895101073572247
Energy: 1.245474154647307
Energy: 1.2771456370755012
Energy: 1.2451830353413755
Energy: 1.392602856867076
Energy: 1.2451830353413755
Energy: 1.4792918775219044
Energy: 1.1844738804331503
Energy: 1.2039787495385865
Energy: 1.1844738804331503
Energy: 1.4792918775219044
Energy: 1.184460295666164
Energy: 1.203981286702075
Energy: 1.184460295666164
Energy: 1.275589634566208
Energy: 1.2452124639171618
Energy: 1.392602856867076
Energy: 1.2452124639171618
Energy: 1.2727979863465844
Energy: 1.2454869441114276
Energy: 1.3895101073572247
Energy: 1.2454869441114276
Energy: 1.196110136963489
Energy: 1.2460357329432936
Energy: 1.1952876576965323
Energy: 1.2460357329432936
Energy: 1.1955133696522038
Energy: 1.1848028548671878
Energy: 1.1956004451398723
Energy: 1.1848028548671878
Energy: 1.2454662037997324
Energy: 1.2455667113520437
Energy: 1.2724161134821796
Energy: 1.2455667113520437
Energy: 1.3913734800103417
Energy: 1.2452418584801486
Energy: 1.3087952240359022
Energy: 1.2452418584801486
Energy: 1.1801907256906425
Energy: 1.1948813337129007
Energy: 1.2463854382183066
Energy: 1.1948813337129007
Energy: 1.233207383349467
Energy: 1.1846563522903324
Energy: 1.5526851114846654
Energy: 1.1846563522903324
Energy: 1.1801237446371333
Energy: 1.195056674022954
Energy: 1.2463949952439688
Energy: 1.195056674022954
Energy: 1.3913734800087036
Energy: 1.2452427767095116
Energy: 1.3089053094517686
Energy: 1.2452427767095116
Energy: 1.2455814142618697
Energy: 1.2457106232181416
Energy: 1.2724821080478652
Energy: 1.2457106232181416
Energy: 1.1955146195036566
Energy: 1.1847680897886066
Energy: 1.1954492750557737
Energy: 1.1847680897886066
Energy: 1.1959772248531477
Energy: 1.245976462724684
Energy: 1.1954113806459414
Energy: 1.24597646272636
Energy: 1.2728167047258567
Energy: 1.245474154647307
Energy: 1.3895101073572247
Energy: 1.245474154647307

minimum gb energy = 1.1801237446371333 eV
minimum distance =  2.28675574630923 Angstroms
sigma value = 17


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

Energy: 1.4187545798366596
Energy: 1.2189608393828915
Energy: 1.782286679076047
Energy: 1.2189608393818556
Energy: 1.313430156186198
Energy: 1.2241789490326025
Energy: 1.2964622792754978
Energy: 1.2241789490315667
Energy: 1.2460170526202683
Energy: 1.2232933836631543
Energy: 1.2374027797679592
Energy: 1.2232933836641902
Energy: 1.2739527837494453
Energy: 1.2346718542993618
Energy: 1.3800705622745646
Energy: 1.2346718542993618
Energy: 1.2524523708806174
Energy: 1.217667997324105
Energy: 1.2411701345030537
Energy: 1.217667997324105
Energy: 1.2619433033932268
Energy: 1.249198292145871
Energy: 1.2412014993048635
Energy: 1.249198292146907
Energy: 1.2272796976248188
Energy: 1.2304727985686674
Energy: 1.21809267075352
Energy: 1.2304727985697033
Energy: 1.2254422595683778
Energy: 1.2304338246336135
Energy: 1.2515186830584082
Energy: 1.2304338246336135
Energy: 1.4510974881015866
Energy: 1.2067086862030052
Energy: 1.3915593468866743
Energy: 1.2067086862030052
Energy: 1.4908521504965186
Energy: 1.2069299861085487
Energy: 1.391251275654665
Energy: 1.2069299861075127
Energy: 1.2857464870929018
Energy: 1.210802389241602
Energy: 1.2518816907089696
Energy: 1.210802389241602
Energy: 1.2825585632689354
Energy: 1.2110555845776259
Energy: 1.25022166482552
Energy: 1.21105558457659
Energy: 1.2702349446846453
Energy: 1.2361762500496354
Energy: 1.2414584141599503
Energy: 1.2361762500506712
Energy: 1.2267252168846932
Energy: 1.2178644706041954
Energy: 1.240193432035751
Energy: 1.2178644706041954
Energy: 1.2256684929982016
Energy: 1.256972577267263
Energy: 1.245262129331537
Energy: 1.256972577267263
Energy: 1.2286051863210559
Energy: 1.230528511323143
Energy: 1.237188884885549
Energy: 1.230528511323143
Energy: 1.3772361489258909
Energy: 1.2124744099239142
Energy: 1.2762397968734012
Energy: 1.2124744099239142
Energy: 1.279553454885337
Energy: 1.219925608523774
Energy: 1.4726082704764238
Energy: 1.219925608523774
Energy: 1.2804917772455877
Energy: 1.200903198215
Energy: 1.276577923127043
Energy: 1.200903198215
Energy: 1.5908717669531602
Energy: 1.2155003878528756
Energy: 1.2814198289519962
Energy: 1.2155003878528756
Energy: 1.2583440851388719
Energy: 1.3286201229253216
Energy: 1.3699674743548693
Energy: 1.3286201229253216
Energy: 1.2265312675809423
Energy: 1.2180711923278342
Energy: 1.2250750068629752
Energy: 1.2180711923278342
Energy: 1.324864150274041
Energy: 1.3025874747918111
Energy: 1.2766204882236496
Energy: 1.302587474792847
Energy: 1.2192932505570035
Energy: 1.2311089318292887
Energy: 1.2053181359795897
Energy: 1.2311089318292887
Energy: 1.2206536727446835
Energy: 1.2579955904975326
Energy: 1.2924618327452022
Energy: 1.2579955904975326
Energy: 1.2476466878234895
Energy: 1.21828173560539
Energy: 1.2240594740042763
Energy: 1.21828173560539
Energy: 1.330681287462285
Energy: 1.2184552485096716
Energy: 1.2868171044005756
Energy: 1.2184552485096716
Energy: 1.38383531868519
Energy: 1.192656343082327
Energy: 1.6599371237381717
Energy: 1.192656343083363
Energy: 1.3888246338756678
Energy: 1.193341947647231
Energy: 1.5032539304950394
Energy: 1.1933419476482667
Energy: 1.2460743393893214
Energy: 1.2185555430771022
Energy: 1.2242766050242209
Energy: 1.2185555430771022
Energy: 1.2491682437537805
Energy: 1.2186748571444133
Energy: 1.2869738021870747
Energy: 1.2186748571444133
Energy: 1.219178642735781
Energy: 1.256005399688135
Energy: 1.2484208857226642
Energy: 1.256005399688135
Energy: 1.2207231865871042
Energy: 1.2315235360419283
Energy: 1.2032426629456068
Energy: 1.2315235360419283
Energy: 1.3019210498863039
Energy: 1.2347109501376012
Energy: 1.225622594400983
Energy: 1.2347109501376012
Energy: 1.2253284003536447
Energy: 1.2187771543806525
Energy: 1.2582238436452406
Energy: 1.2187771543806525
Energy: 1.3345513042355384
Energy: 1.1987374956206676
Energy: 1.3714950611362609
Energy: 1.1987374956196317
Energy: 1.64467095926238
Energy: 1.210142047284299
Energy: 1.281192323722527
Energy: 1.2101420472853348
Energy: 1.3785899228673097
Energy: 1.2001289950924028
Energy: 1.2939608631151591
Energy: 1.2001289950934388

minimum gb energy = 1.192656343082327 eV
minimum distance =  2.28195671220956 Angstroms
sigma value = 89


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

Energy: 1.318315173377919
Energy: 1.1369059822274397
Energy: 1.5232689969568938
Energy: 1.1369059822277168
Energy: 1.2192007148103272
Energy: 1.1699471494798186
Energy: 1.2722116075748617
Energy: 1.1699471494795415
Energy: 1.3418464759882132
Energy: 1.1279364563902488
Energy: 1.142051024985718
Energy: 1.127936456390526
Energy: 1.1898514949798924
Energy: 1.198463923062354
Energy: 1.3419864049396522
Energy: 1.1984639230620766
Energy: 1.2057465328911854
Energy: 1.183697323843666
Energy: 1.1853119576778812
Energy: 1.183697323843666
Energy: 1.182408513359385
Energy: 1.3563510258118607
Energy: 1.1852900262254438
Energy: 1.356351025812138
Energy: 1.1852725659359802
Energy: 1.128072389203161
Energy: 1.1850553855149144
Energy: 1.128072389203161
Energy: 1.1835216970280156
Energy: 1.1956132018880532
Energy: 1.3444862933272015
Energy: 1.1956132018880532
Energy: 1.3431626783379147
Energy: 1.183893352756514
Energy: 1.1225719402634513
Energy: 1.183893352756514
Energy: 1.182733867812223
Energy: 1.1847131582603827
Energy: 1.1213477289196099
Energy: 1.1847131582601054
Energy: 1.2629927085720178
Energy: 1.1278973513085666
Energy: 1.3443957684630554
Energy: 1.1278973513082893
Energy: 1.2628376103117582
Energy: 1.1289054654916815
Energy: 1.3443692659016433
Energy: 1.1289054654916815
Energy: 1.342961241015778
Energy: 1.1840619824257455
Energy: 1.1230202173453059
Energy: 1.1840619824254683
Energy: 1.3415854224140533
Energy: 1.1849785135651913
Energy: 1.1212311296985629
Energy: 1.1849785135651913
Energy: 1.1849266634600137
Energy: 1.1838798375404869
Energy: 1.2570770088543393
Energy: 1.1838798375404869

minimum gb energy = 1.1212311296985629 eV
minimum distance =  2.28424827642343 Angstroms
sigma value = 13


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

Energy: 1.1942233844324333
Energy: 1.1038172399799635
Energy: 1.4798753197684351
Energy: 1.1038172399799635
Energy: 1.186328519688799
Energy: 1.1015680573119855
Energy: 1.135179211191551
Energy: 1.1015680573108495
Energy: 1.2331294481944814
Energy: 1.0862270380035732
Energy: 1.1837046590016995
Energy: 1.0862270380035732
Energy: 1.1700736932134737
Energy: 1.105847114081243
Energy: 1.134797413819671
Energy: 1.105847114081243
Energy: 1.1131923659362317
Energy: 1.1150422129851438
Energy: 1.1538877915145311
Energy: 1.1150422129851438
Energy: 1.238504674157095
Energy: 1.115874281071736
Energy: 1.173604844394086
Energy: 1.115874281071736
Energy: 1.137846309136948
Energy: 1.0863232462700436
Energy: 1.1468468910833325
Energy: 1.0863232462700436
Energy: 1.1409283961558732
Energy: 1.1309216325161404
Energy: 1.1363834357089357
Energy: 1.1309216325161404
Energy: 1.1473320158449993
Energy: 1.1149175267705695
Energy: 1.1046839728924058
Energy: 1.1149175267694336
Energy: 1.3086880727119319
Energy: 1.1156034966533557
Energy: 1.1942168161420197
Energy: 1.1156034966533557
Energy: 1.1661050476796342
Energy: 1.0862578232148852
Energy: 1.2270426833970625
Energy: 1.0862578232148852
Energy: 1.158519546601511
Energy: 1.0871262366768066
Energy: 1.1365158907235755
Energy: 1.0871262366756707
Energy: 1.2234174025933977
Energy: 1.0993416040336632
Energy: 1.1699030060116067
Energy: 1.0993416040336632
Energy: 1.2160200092267937
Energy: 1.1014324591536842
Energy: 1.2998552306734807
Energy: 1.1014324591525482
Energy: 1.1657784851884234
Energy: 1.0863247672603977
Energy: 1.2255317659830653
Energy: 1.0863247672603977
Energy: 1.158565455989455
Energy: 1.08730931786686
Energy: 1.2333096147345552
Energy: 1.0873093178657238
Energy: 1.2236846310045122
Energy: 1.1148834813893695
Energy: 1.1047863528831587
Energy: 1.1148834813905057
Energy: 1.1534892236026573
Energy: 1.115356397111516
Energy: 1.1946456830995336
Energy: 1.1153563971103797
Energy: 1.1374484212269804
Energy: 1.0870489250267845
Energy: 1.1419743738035508
Energy: 1.0870489250256483
Energy: 1.1419892568075325
Energy: 1.0870218819641118
Energy: 1.137448373787127
Energy: 1.0870218819641118
Energy: 1.1946581299924608
Energy: 1.1151453356812189
Energy: 1.1535160637022728
Energy: 1.1151453356812189
Energy: 1.1047700874608781
Energy: 1.1148646787146674
Energy: 1.22368463100224
Energy: 1.1148646787146674
Energy: 1.2333096147379634
Energy: 1.0868263053647123
Energy: 1.1585306718854569
Energy: 1.0868263053647123
Energy: 1.2255317659819291
Energy: 1.086315498268609
Energy: 1.1585957133709066
Energy: 1.086315498269745
Energy: 1.2997457267307966
Energy: 1.1014760931707868
Energy: 1.2159779693828727
Energy: 1.1014760931719227
Energy: 1.1764633694242153
Energy: 1.0993407549914467
Energy: 1.2234174025933977
Energy: 1.0993407549914467
Energy: 1.1364834328552254
Energy: 1.0871534845263515
Energy: 1.1586016742282785
Energy: 1.0871534845274877
Energy: 1.2270426833959265
Energy: 1.0862475418594808
Energy: 1.1652009577209634
Energy: 1.0862475418594808
Energy: 1.1941694761169148
Energy: 1.1156060905009075
Energy: 1.3090199802237312
Energy: 1.1156060905009075
Energy: 1.1047071345621176
Energy: 1.1149194542105771
Energy: 1.1474065562412197
Energy: 1.114919454209441
Energy: 1.1363972812660967
Energy: 1.1309246001306614
Energy: 1.1409284513541582
Energy: 1.1309246001306614
Energy: 1.1468374371800076
Energy: 1.086314905511762
Energy: 1.1378833390759162
Energy: 1.086314905511762
Energy: 1.1736312906060486
Energy: 1.1156394811701782
Energy: 1.2384185618405443
Energy: 1.1156394811701782
Energy: 1.1538943012569478
Energy: 1.1150268058091575
Energy: 1.113186934304326
Energy: 1.1150268058091575
Energy: 1.1351485200991147
Energy: 1.1058490199549718
Energy: 1.1702956826085353
Energy: 1.1058490199549718

minimum gb energy = 1.0862270380035732 eV
minimum distance =  2.30445480818723 Angstroms
sigma value = 37


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

Energy: 1.1888845653632174
Energy: 1.032229505998994
Energy: 1.4290205504889957
Energy: 1.0322295059987945
Energy: 1.2170926738527303
Energy: 1.0519037153475448
Energy: 1.1087286628547013
Energy: 1.0519037153477446
Energy: 1.2253052294535922
Energy: 1.01579776877326
Energy: 1.1404600948230295
Energy: 1.01579776877326
Energy: 1.1477179244689741
Energy: 1.0315092710562095
Energy: 1.1086265245354785
Energy: 1.0315092710560096
Energy: 1.1031768254959184
Energy: 1.013785939208061
Energy: 1.2144535107936651
Energy: 1.013785939208061
Energy: 1.1908020506310248
Energy: 1.056306207957071
Energy: 1.128978667794068
Energy: 1.0563062079568712
Energy: 1.105826539579977
Energy: 1.0158061881302252
Energy: 1.10007606910729
Energy: 1.0158061881302252
Energy: 1.1051812620302144
Energy: 1.1564616822849187
Energy: 1.1244249616853996
Energy: 1.1564616822849187
Energy: 1.1124892314963326
Energy: 1.013815907203413
Energy: 1.124354598946879
Energy: 1.0138159072036126
Energy: 1.1901417786923045
Energy: 1.0562289668951292
Energy: 1.1249942247051947
Energy: 1.0562289668951292
Energy: 1.075227892820968
Energy: 1.0157069996756918
Energy: 1.2128126387983693
Energy: 1.0157069996756918
Energy: 1.0851552561238325
Energy: 1.0579920419410629
Energy: 1.1703260027975617
Energy: 1.0579920419410629
Energy: 1.2253404412882312
Energy: 1.01399941202132
Energy: 1.1348631453794944
Energy: 1.01399941202132
Energy: 1.0702367664376673
Energy: 1.0162766166838288
Energy: 1.136622029984692
Energy: 1.0162766166838288
Energy: 1.1391614761381739
Energy: 1.0312076846250466
Energy: 1.2128010771039583
Energy: 1.0312076846250466
Energy: 1.1065165778269461
Energy: 1.0387489187341348
Energy: 1.166877643407969
Energy: 1.0387489187343348
Energy: 1.2255762247120305
Energy: 1.013992096863392
Energy: 1.1349302274515025
Energy: 1.013992096863192
Energy: 1.1474126442608363
Energy: 1.0161344066338187
Energy: 1.1362416363482524
Energy: 1.0161344066336189
Energy: 1.0753707588561814
Energy: 1.015700789747982
Energy: 1.2130595509345463
Energy: 1.0157007897481818
Energy: 1.0754175342692545
Energy: 1.0575133669550598
Energy: 1.2145299303623205
Energy: 1.0575133669550598

minimum gb energy = 1.013785939208061 eV
minimum distance =  2.29662429381268 Angstroms
sigma value = 25


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

Energy: 1.1192753180592288
Energy: 0.9441349595005586
Energy: 1.2615253473521233
Energy: 0.9441349595005586
Energy: 0.9950851371484062
Energy: 0.9717709585083915
Energy: 1.0348390037177682
Energy: 0.9717709585083915
Energy: 1.091135473531607
Energy: 0.9282590258110391
Energy: 1.0921350317880392
Energy: 0.9282590258110391
Energy: 1.0408555435773268
Energy: 0.979869093757763
Energy: 1.0347567492170429
Energy: 0.979869093757763
Energy: 1.0452202640676465
Energy: 0.9213526173933656
Energy: 1.0799441020317582
Energy: 0.9213526173933656
Energy: 1.0411115890811782
Energy: 0.9406844798140886
Energy: 1.068120881314862
Energy: 0.9406844798140886
Energy: 1.0203620628137118
Energy: 0.9211869470003092
Energy: 1.045530506755071
Energy: 0.9211869470003092
Energy: 1.0451341517208075
Energy: 0.9443153765930594
Energy: 1.0822415554825893
Energy: 0.9443153765915331
Energy: 1.015353250306421
Energy: 0.9215828098192839
Energy: 1.036927456933408
Energy: 0.9215828098192839
Energy: 1.0633700051159183
Energy: 0.9962644342856999
Energy: 1.0465373362855286
Energy: 0.9962644342856999
Energy: 1.0074514172374998
Energy: 0.921018739235857
Energy: 1.0446575235709297
Energy: 0.9210187392343306
Energy: 1.0421923232450576
Energy: 0.944292261506062
Energy: 1.0677795669550256
Energy: 0.9442922615075884
Energy: 1.0231806817391764
Energy: 0.9216713848357629
Energy: 1.0187163853037782
Energy: 0.9216713848357629
Energy: 1.1159484610194272
Energy: 0.94376532434525
Energy: 1.0090846829787794
Energy: 0.94376532434525
Energy: 0.9927570884968792
Energy: 0.9211490694703286
Energy: 1.0823070609741843
Energy: 0.9211490694703286
Energy: 1.0169611309782847
Energy: 0.9212531195374178
Energy: 1.0336531259423123
Energy: 0.9212531195374178
Energy: 1.0875916460258908
Energy: 0.9283601873359278
Energy: 1.0088345119965956
Energy: 0.9283601873359278
Energy: 0.9998648004853341
Energy: 0.9540304551376937
Energy: 1.009430170050476
Energy: 0.9540304551376937
Energy: 1.0294295512996567
Energy: 0.9425111221532928
Energy: 1.0840093326170954
Energy: 0.9425111221532928
Energy: 1.0386463924682017
Energy: 0.9432130637634697
Energy: 1.033423304517372
Energy: 0.9432130637634697
Energy: 1.0873758101705093
Energy: 0.9285397179034861
Energy: 1.008952243551177
Energy: 0.9285397179034861
Energy: 1.0577495541684168
Energy: 0.9382484141903972
Energy: 1.0094403935583975
Energy: 0.9382484141903972
Energy: 0.9926640550531203
Energy: 0.9213138014998864
Energy: 1.0794496721943962
Energy: 0.9213138014998864
Energy: 1.0403852809174081
Energy: 0.9208900016733487
Energy: 1.0586033986642
Energy: 0.9208900016718224
Energy: 1.0242669091714303
Energy: 0.9216400608166069
Energy: 1.01906734173509
Energy: 0.9216400608166069
Energy: 1.0925482413148673
Energy: 0.9434393625030473
Energy: 1.0093316978858962
Energy: 0.9434393625030473

minimum gb energy = 0.9208900016718224 eV
minimum distance =  2.30606767258914 Angstroms
sigma value = 41


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

Energy: 1.040847266846391
Energy: 0.8764701267787065
Energy: 1.138555183010855
Energy: 0.8764701267787065
Energy: 0.9296072451812486
Energy: 0.8893268641301572
Energy: 0.9793112703258101
Energy: 0.8893268641301572
Energy: 0.9907959062451768
Energy: 0.8575672499889222
Energy: 0.9982044066238328
Energy: 0.8575672499889222
Energy: 0.9809024819668292
Energy: 0.9243666621157459
Energy: 0.9792857716478365
Energy: 0.9243666621169973
Energy: 0.9887461177919918
Energy: 0.8479039911995998
Energy: 0.9822423216678502
Energy: 0.8479039911995998
Energy: 0.9808442352483805
Energy: 0.8656001046897611
Energy: 0.9637356299759791
Energy: 0.8656001046897611
Energy: 0.994708481180384
Energy: 0.8444722043402579
Energy: 0.9853089603116217
Energy: 0.8444722043390067
Energy: 0.980665426089098
Energy: 0.8701295307974786
Energy: 0.9635415789008073
Energy: 0.8701295307974786
Energy: 0.987642897989066
Energy: 0.8445241176045688
Energy: 0.9593772988389733
Energy: 0.8445241176045688
Energy: 0.9805836934647038
Energy: 0.9013761212833727
Energy: 0.9777040743404141
Energy: 0.9013761212833727
Energy: 0.9744910317122527
Energy: 0.8446666524951908
Energy: 0.9627478849189887
Energy: 0.8446666524964422
Energy: 0.9687398411432863
Energy: 0.8881832251819278
Energy: 0.9776982704815199
Energy: 0.8881832251831793
Energy: 0.9813342291376479
Energy: 0.8446217993841599
Energy: 0.9558290794457649
Energy: 0.8446217993841599
Energy: 0.9804689201294536
Energy: 0.8581760296309666
Energy: 0.9670535038275229
Energy: 0.8581760296309666
Energy: 0.9306706699381644
Energy: 0.8445542603915593
Energy: 0.9633380625576337
Energy: 0.8445542603915593
Energy: 0.9306273549552981
Energy: 0.8580525000306533
Energy: 0.994742119091449
Energy: 0.8580525000306533
Energy: 0.9985987125650033
Energy: 0.8443509416635644
Energy: 0.9233262423334508
Energy: 0.8443509416635644
Energy: 0.9772399217140645
Energy: 0.8442536052718319
Energy: 0.9413395798334304
Energy: 0.8442536052718319
Energy: 0.9312685287233061
Energy: 0.8471816296513345
Energy: 0.9838695700535655
Energy: 0.8471816296513345
Energy: 0.934436473797262
Energy: 0.9134520646382581
Energy: 0.9369040380640881
Energy: 0.9134520646382581
Energy: 0.9881258749083333
Energy: 0.8563400504365369
Energy: 0.9407933339937128
Energy: 0.8563400504365369
Energy: 0.931837246947237
Energy: 0.8765844753317028
Energy: 0.9756564227061034
Energy: 0.8765844753329541
Energy: 0.9661763610821588
Energy: 0.875409827889066
Energy: 0.9863692457041698
Energy: 0.875409827889066
Energy: 0.9909688771556415
Energy: 0.8788761924213057
Energy: 0.9624922664572043
Energy: 0.8788761924213057
Energy: 0.9877551936628565
Energy: 0.8563367933663065
Energy: 0.9408658819202153
Energy: 0.8563367933663065
Energy: 0.9773657776797064
Energy: 0.8575715604972922
Energy: 0.9755175798963659
Energy: 0.8575715604972922
Energy: 0.9313166772156933
Energy: 0.8473327651885789
Energy: 0.9863692711161095
Energy: 0.8473327651885789
Energy: 0.9654012923017983
Energy: 0.8553443082365769
Energy: 0.9947447940941038
Energy: 0.8553443082378284
Energy: 0.9935614249639695
Energy: 0.8442611650193463
Energy: 0.9234720179992445
Energy: 0.844261165018095
Energy: 0.9808053636636842
Energy: 0.843950889115444
Energy: 0.9668396124318628
Energy: 0.843950889115444
Energy: 0.9309697979189909
Energy: 0.8444032141530736
Energy: 0.9584237598036682
Energy: 0.8444032141530736
Energy: 0.9306746896634953
Energy: 0.8577026172946464
Energy: 1.00227114604007
Energy: 0.8577026172946464

minimum gb energy = 0.843950889115444 eV
minimum distance =  2.31355145703529 Angstroms
sigma value = 15


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

Energy: 0.968260997241784
Energy: 0.8145055079600074
Energy: 1.0432766723204079
Energy: 0.8145055079589475
Energy: 0.9229903934138746
Energy: 0.8672382252912351
Energy: 0.9142862224395217
Energy: 0.8672382252912351
Energy: 0.9136202328755356
Energy: 0.804508766825675
Energy: 0.9430524527017766
Energy: 0.804508766825675
Energy: 0.9106802038718236
Energy: 0.8165900044345923
Energy: 0.914330712923117
Energy: 0.8165900044345923
Energy: 0.9296860264659258
Energy: 0.7928892424891969
Energy: 0.9073143435506146
Energy: 0.7928892424891969
Energy: 0.9104797505466006
Energy: 0.8520742108775639
Energy: 0.9121533648446427
Energy: 0.8520742108775639
Energy: 0.9176368319252266
Energy: 0.7828240066434066
Energy: 0.9397182577566418
Energy: 0.7828240066444666
Energy: 0.9029992669921317
Energy: 0.852553210588267
Energy: 0.9122599797184493
Energy: 0.852553210588267
Energy: 0.9323215092508388
Energy: 0.781688127509582
Energy: 0.8944988919973136
Energy: 0.781688127509582
Energy: 0.9028489216823679
Energy: 0.7983978119461684
Energy: 0.9144607812214139
Energy: 0.7983978119451083
Energy: 0.9062205532763368
Energy: 0.7817893718732543
Energy: 0.9110872983617401
Energy: 0.7817893718721942
Energy: 0.9125620822102044
Energy: 0.8181490573622213
Energy: 0.9139992325633767
Energy: 0.8181490573622213
Energy: 0.9131946801704943
Energy: 0.781880613602186
Energy: 0.8940015601570419
Energy: 0.781880613602186
Energy: 0.9127587206850829
Energy: 0.809691366568636
Energy: 0.907317383357862
Energy: 0.809691366567576
Energy: 0.9078462584513576
Energy: 0.7819345906854703
Energy: 0.8975880699676688
Energy: 0.7819345906854703
Energy: 0.912083628205481
Energy: 0.8096865183100689
Energy: 0.914044836762757
Energy: 0.8096865183100689
Energy: 0.9099695202035866
Energy: 0.7818055078713325
Energy: 0.9058474084342525
Energy: 0.7818055078713325
Energy: 0.9197705197996802
Energy: 0.790557270130086
Energy: 0.8767384827492055
Energy: 0.790557270130086
Energy: 0.8713718826945438
Energy: 0.7816501884335025
Energy: 0.8981808527305689
Energy: 0.7816501884345625
Energy: 0.9053441120487193
Energy: 0.7981014931508081
Energy: 0.9079749868204765
Energy: 0.7981014931508081
Energy: 0.9214289303382428
Energy: 0.7832345132811511
Energy: 0.8788530791092244
Energy: 0.7832345132822112
Energy: 0.9218165727429211
Energy: 0.8451238980804652
Energy: 0.9038211928634552
Energy: 0.8451238980804652
Energy: 0.8799989069635792
Energy: 0.7927648771498346
Energy: 0.9085996155169481
Energy: 0.7927648771498346
Energy: 0.9136556039892834
Energy: 0.8574218130425133
Energy: 0.9202506457543628
Energy: 0.8574218130425133
Energy: 0.9116223876118308
Energy: 0.801332062594159
Energy: 0.894238938247924
Energy: 0.801332062594159
Energy: 0.8788146305022192
Energy: 0.8199456202188878
Energy: 0.9220102832767016
Energy: 0.8199456202188878
Energy: 0.9048953009349401
Energy: 0.8141199136897045
Energy: 0.9103792122820002
Energy: 0.8141199136907646
Energy: 0.923064809438405
Energy: 0.8258027002616505
Energy: 0.920433460638994
Energy: 0.8258027002605903
Energy: 0.9180626619001705
Energy: 0.8013133953216262
Energy: 0.8942538265941276
Energy: 0.8013133953216262
Energy: 2.400011329509791
Energy: 0.8035479268415519
Energy: 0.9219756499307139
Energy: 0.8035479268415519
Energy: 0.8799767458634702
Energy: 0.7928619830032319
Energy: 0.9100119811893431
Energy: 0.7928619830032319
Energy: 0.9135689407120052
Energy: 0.8033070117467018
Energy: 0.9083610750335337
Energy: 0.8033070117467018
Energy: 0.9171198811213861
Energy: 0.7831783421672495
Energy: 0.8770199383107885
Energy: 0.7831783421672495
Energy: 0.9199749135469207
Energy: 0.7882748229491394
Energy: 0.9044694394414016
Energy: 0.7882748229501993
Energy: 0.8710770244861753
Energy: 0.7818836784402359
Energy: 0.9250713423829192
Energy: 0.7818836784402359
Energy: 0.9062491808022076
Energy: 0.7975987373948227
Energy: 0.9145718851862005
Energy: 0.7975987373948227
Energy: 0.9024046139070183
Energy: 0.7820626772125822
Energy: 0.9061771027644531
Energy: 0.7820626772125822

minimum gb energy = 0.7816501884335025 eV
minimum distance =  2.31690173789152 Angstroms
sigma value = 85


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

Energy: 0.9512535038760997
Energy: 0.758592036154885
Energy: 0.9207402422118611
Energy: 0.758592036154885
Energy: 0.8296799527408344
Energy: 0.7608818049854195
Energy: 0.835274051070531
Energy: 0.7608818049854195
Energy: 0.8283958965522139
Energy: 0.7569350918097651
Energy: 0.9149298711471062
Energy: 0.7569350918097651
Energy: 0.822267923532442
Energy: 0.7582315789501157
Energy: 0.8351508489440491
Energy: 0.7582315789501157
Energy: 0.8974412524354105
Energy: 0.7241102743270871
Energy: 0.8284643029948955
Energy: 0.7241102743270871
Energy: 0.8223390004830969
Energy: 0.6707291077104193
Energy: 0.8296130018540225
Energy: 0.6707291077104193
Energy: 0.8416964004223253
Energy: 0.7256105287764364
Energy: 0.8770774155273932
Energy: 0.7256105287764364
Energy: 0.8324362888863251
Energy: 0.7693020680002284
Energy: 0.8295229134668455
Energy: 0.7693020680002284
Energy: 0.8816729458789524
Energy: 0.7078396703871406
Energy: 0.8570628537236034
Energy: 0.7078396703871406
Energy: 0.832547639405594
Energy: 0.7817406179828357
Energy: 0.836146882769522
Energy: 0.7817406179828357
Energy: 0.8175646399882394
Energy: 0.7078419431454726
Energy: 0.8687618451586852
Energy: 0.7078419431445532
Energy: 0.8525352421026655
Energy: 0.7214593825501512
Energy: 0.8356216826692816
Energy: 0.7214593825501512
Energy: 0.8411004591987405
Energy: 0.7080952427440775
Energy: 0.8346793565131796
Energy: 0.7080952427440775
Energy: 0.8522902727780071
Energy: 0.7528179499999778
Energy: 0.851167151639241
Energy: 0.7528179499999778
Energy: 0.8140232296823846
Energy: 0.7080431313115396
Energy: 0.8451395236044654
Energy: 0.7080431313115396
Energy: 0.8463057391983894
Energy: 0.7520148129582505
Energy: 0.8508643662085276
Energy: 0.7520148129573311
Energy: 0.81780247054249
Energy: 0.7078953651000993
Energy: 0.8343459279959178
Energy: 0.7078953651000993
Energy: 0.8520670889754652
Energy: 0.7517422989969799
Energy: 0.8507902067239566
Energy: 0.7517422989969799
Energy: 0.8298297543140241
Energy: 0.7079207584732453
Energy: 0.8400516466846446
Energy: 0.7079207584732453
Energy: 0.8175969517996653
Energy: 0.7208686941678344
Energy: 0.8497325576115139
Energy: 0.7208686941678344
Energy: 0.8166197781558048
Energy: 0.7079055054718476
Energy: 0.8072170548053853
Energy: 0.7079055054718476
Energy: 0.8329401957903692
Energy: 0.7226664056347658
Energy: 0.8363565531390007
Energy: 0.7226664056347658
Energy: 0.8124283327168969
Energy: 0.7073631714350939
Energy: 0.854774074546915
Energy: 0.7073631714350939
Energy: 0.8326058744727673
Energy: 0.7685330535125711
Energy: 0.8251633314843114
Energy: 0.7685330535116515
Energy: 0.8445201795100824
Energy: 0.7248272969916476
Energy: 0.8113011858923311
Energy: 0.7248272969916476
Energy: 0.8223664450332565
Energy: 0.7611335292082585
Energy: 0.829704415513761
Energy: 0.7611335292082585
Energy: 0.8309276445114694
Energy: 0.7240729857230184
Energy: 0.8291528137212402
Energy: 0.7240729857230184
Energy: 0.8417715262947375
Energy: 0.7644368822166697
Energy: 0.8162050136320781
Energy: 0.7644368822166697
Energy: 0.8268920568521854
Energy: 0.756805733311726
Energy: 0.829409855067629
Energy: 0.756805733311726
Energy: 0.8122965867835312
Energy: 0.7605807612835692
Energy: 0.8353004534355071
Energy: 0.7605807612835692
Energy: 0.8642920769799355
Energy: 0.7585189085078448
Energy: 0.8308121923408954
Energy: 0.7585189085078448
Energy: 0.8626132973119078
Energy: 0.7265077747209913
Energy: 0.8158192015705338
Energy: 0.7265077747200718
Energy: 0.8268071268751975
Energy: 0.7568438029541268
Energy: 0.8296086611219926
Energy: 0.7568438029550463
Energy: 0.8221534170421589
Energy: 0.7074277522941098
Energy: 0.8352576932328616
Energy: 0.7074277522931904
Energy: 0.8309296309200563
Energy: 0.7241066052659137
Energy: 0.8305224913723472
Energy: 0.724106605266833
Energy: 0.8416276808718276
Energy: 0.7076623410601316
Energy: 0.8252447627807673
Energy: 0.7076623410601316
Energy: 0.8417429372704975
Energy: 0.7247367762765506
Energy: 0.8111616828007591
Energy: 0.7247367762765506
Energy: 0.8331455616838237
Energy: 0.70721533950166
Energy: 0.8297034165681519
Energy: 0.70721533950166
Energy: 0.812498653448877
Energy: 0.7075070756898504
Energy: 0.8545873904629686
Energy: 0.7075070756898504
Energy: 0.8351783493838006
Energy: 0.7070518020119654
Energy: 0.8498981574023986
Energy: 0.7070518020119654
Energy: 0.814877657975826
Energy: 0.707378942492801
Energy: 0.8071723886531209
Energy: 0.707378942492801
Energy: 0.8525158556840758
Energy: 0.7226508901439043
Energy: 0.8359977442294417
Energy: 0.7226508901448236
Energy: 0.829681448081865
Energy: 0.7065794785404181
Energy: 0.8369425880512307
Energy: 0.7065794785404181

minimum gb energy = 0.6707291077104193 eV
minimum distance =  2.32513768846894 Angstroms
sigma value = 113


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

Energy: 0.014950600424613446
Energy: 0.015169684366884028
Energy: 1.475227572446749
Energy: 0.015169684366884028
Energy: 0.015606369600189277
Energy: 0.6811033143793616
Energy: 0.015606369599482504
Energy: 0.6811033143793616
Energy: 1.331929150225355
Energy: 0.015169684366884028
Energy: 0.014950600425320221
Energy: 0.015169684366884028
Energy: 0.015606369599482504
Energy: 0.6811033143786548
Energy: 0.015606369598775729
Energy: 0.6811033143786548
Energy: 0.014950600424613446
Energy: 0.015169684367551535
Energy: 1.475227572446749
Energy: 0.015169684367551535
Energy: 0.015606369600189277
Energy: 0.6811033143786548
Energy: 0.015606369599482504
Energy: 0.6811033143793616

minimum gb energy = 0.014950600424613446 eV
minimum distance =  2.45802806203391 Angstroms
sigma value = 1