Model name: model_name=EAM_Dynamo_SunZhangMendelev_2022_Fe__MO_044341472608_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.430137217044831
cohesive_energy=3.990966885422167
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[4.88322609746958e-19, 5.26391928747432e-19, 5.537090403571319e-19, 5.72180534770518e-19, 5.790266355276e-19, 5.867619443165519e-19, 5.994720115540739e-19, 6.14000549271186e-19, 6.239116139291099e-19, 6.255666623920319e-19, 6.20768143373202e-19, 6.135647572267379e-19, 6.064927495642619e-19, 6.011126404272899e-19, 5.98680536296878e-19, 5.99640240100644e-19, 6.03600820739892e-19, 6.096794788892879e-19, 6.16818777970392e-19, 6.24001335820614e-19, 6.30373192294032e-19, 6.352950789136799e-19, 6.3835523628462e-19, 6.3937261844721e-19, 6.38308773162234e-19, 6.3505475241858e-19, 6.29676245458242e-19, 6.2225656546618795e-19, 6.12779690676078e-19, 6.010453490086619e-19, 5.86529628704622e-19, 5.682327715443419e-19, 5.44525363891044e-19, 5.137379376921e-19, 4.74245885840634e-19, 4.2342484301015397e-19, 3.5740234827628197e-19, 2.72342790777222e-19, 1.64737403684514e-19, 3.03942520529604e-20, -1.3588188207084718e-19, -3.42780884314398e-19, -6.09424732804482e-19, -9.8598751144677e-19, -1.6314804446358599e-18, -2.9899820343707996e-18, -6.2219087622419395e-18, -1.45313415262215e-17, -3.76708576715982e-17, -1.078780775558148e-16, -3.4449361113614395e-16]
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: 0.01709693637538159
Energy: 0.28027220979307843
Energy: 0.406471753662167
Energy: 0.01740670256777937
Energy: 0.28027220979036926
Energy: 0.6094173968747659
Energy: 0.28027220979718087
Energy: 0.6094173968700055
Energy: 0.40647175366147037
Energy: 0.2802722097890146
Energy: 0.01709693637538159
Energy: 0.2802722097890146
Energy: 0.01740670256777937
Energy: 0.6094173968720181
Energy: 0.28027220979036926
Energy: 0.6094173968713602

minimum gb energy = 0.01709693637538159 eV
minimum distance =  2.36351166463667 Angstroms
sigma value = 1


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

Energy: 0.9331598216475409
Energy: 0.841355593713175
Energy: 0.8891901395690808
Energy: 0.7419260409193001
Energy: 0.8402236407900012
Energy: 0.9634334666783411
Energy: 0.7632397631457323
Energy: 0.9634334666774962
Energy: 0.8472571248970636
Energy: 0.82954314001218
Energy: 0.9914718353141986
Energy: 0.8295431400138698
Energy: 0.8163435113262619
Energy: 0.7354937247390984
Energy: 0.7648440145784495
Energy: 0.735493724740788
Energy: 0.8748551275313685
Energy: 0.7349605698617876
Energy: 0.7311818470105184
Energy: 0.7349605698651672
Energy: 0.7219054549458344
Energy: 0.8396830073175011
Energy: 0.7103789430267545
Energy: 0.839683007303983
Energy: 0.7807693610618214
Energy: 0.7451616962474387
Energy: 0.7092943029593551
Energy: 0.7451616962491284
Energy: 0.7300167282390025
Energy: 0.8751924635994344
Energy: 0.7169106749885883
Energy: 0.8751924635968997
Energy: 0.8044618609297648
Energy: 0.8783262553439061
Energy: 0.7997924311205135
Energy: 0.8783262553447511
Energy: 0.7220583303344074
Energy: 0.8520394203195283
Energy: 0.7152271586209452
Energy: 0.852039420321218
Energy: 0.8927186757174815
Energy: 0.8668629403807152
Energy: 0.9072406913700172
Energy: 0.8668629403840947
Energy: 0.7163733055192956
Energy: 0.8328638947874065
Energy: 0.7190554618899948
Energy: 0.8328638947907859
Energy: 0.7282989121717747
Energy: 0.7790549282367997
Energy: 0.7338935193012273
Energy: 0.7790549282351098
Energy: 0.718010684927733
Energy: 0.7641667605715844
Energy: 0.73431894411318
Energy: 0.764166760574964
Energy: 0.7005133674894929
Energy: 0.7342035427946493
Energy: 0.7614286459445582
Energy: 0.7342035427971839
Energy: 0.7621362976888254
Energy: 0.7710575905796315
Energy: 0.7476997907320776
Energy: 0.7710575905821662
Energy: 0.8374089553094634
Energy: 0.8333453156919786
Energy: 0.6698581618063049
Energy: 0.8333453156902888
Energy: 0.7624470943982052
Energy: 0.7419994039675741
Energy: 0.7076509449941872
Energy: 0.7419994039684191
Energy: 0.7374076680435572
Energy: 0.8276916168798053
Energy: 0.8929830055133049
Energy: 0.8276916168823398
Energy: 0.7842480776379266
Energy: 0.7215467698965882
Energy: 0.8292819915481561
Energy: 0.7215467698957433
Energy: 0.7344264920388368
Energy: 0.7363885527390694
Energy: 0.7129602884403622
Energy: 0.736388552741604
Energy: 0.7134914694332951
Energy: 0.7395711758711767
Energy: 0.7215295319654743
Energy: 0.7395711758677971
Energy: 0.8641855615001584
Energy: 0.750704674597653
Energy: 0.7244897700165684
Energy: 0.7507046745942735
Energy: 0.748797280688565
Energy: 0.8384456466614838
Energy: 0.7676449777350414
Energy: 0.8384456466623286
Energy: 0.788016894727296
Energy: 0.8644480411403668
Energy: 0.8134805598889657
Energy: 0.8644480411403668
Energy: 0.7166776442565065
Energy: 0.8495846778459799
Energy: 0.7329401302709676
Energy: 0.8495846778485145
Energy: 0.8238431257760929
Energy: 0.859533059568411
Energy: 0.8342971039254328
Energy: 0.8595330595692559
Energy: 0.7205336021383164
Energy: 0.8416419572226527
Energy: 0.7539017292148569
Energy: 0.8416419572243423
Energy: 0.8529496495437816
Energy: 0.7788219553286959
Energy: 0.7254409821881873
Energy: 0.7788219553219368
Energy: 0.7315589814852703
Energy: 0.7531468124455647
Energy: 0.7233114781086479
Energy: 0.75314681244303
Energy: 0.7750025168505373
Energy: 0.8052374627446135
Energy: 0.6871598686223127
Energy: 0.8052374627479931
Energy: 0.7479722049056179
Energy: 0.7355101555998004
Energy: 0.760528002392431
Energy: 0.7355101555947311
Energy: 0.7552415472920927
Energy: 0.748572686266387
Energy: 0.8661997119152598
Energy: 0.7485726862655422

minimum gb energy = 0.6698581618063049 eV
minimum distance =  2.23479316300336 Angstroms
sigma value = 1


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

Energy: 1.1839553593348828
Energy: 0.880897617743504
Energy: 0.9314284610203175
Energy: 0.7457645487135895
Energy: 0.8660450287873952
Energy: 1.0075728220826012
Energy: 0.7227254195298461
Energy: 1.007572822085491
Energy: 0.8709228231738327
Energy: 0.82708745593382
Energy: 0.6786305091859683
Energy: 0.8270874559347833
Energy: 0.8518095092779757
Energy: 0.7197929241843916
Energy: 0.7232191753117119
Energy: 0.7197929241834283
Energy: 0.6833315791989205
Energy: 0.7959362360687051
Energy: 0.7827178166567269
Energy: 0.7959362360725146
Energy: 0.7057043868154455
Energy: 0.8525768884331512
Energy: 0.8276014152314618
Energy: 0.8525768884196646
Energy: 0.7914489195212411
Energy: 0.862417491462107
Energy: 0.8148157925021897
Energy: 0.8624174914678869
Energy: 0.773374237207708
Energy: 0.8585910986415113
Energy: 0.7955999246383364
Energy: 0.8585910986424744
Energy: 0.9382973958508171
Energy: 0.8996899262615193
Energy: 0.8256074436773044
Energy: 0.8996899262624826
Energy: 0.7456324260054572
Energy: 0.8412553199261379
Energy: 0.7690211565080199
Energy: 0.8412553199338444
Energy: 0.7354682822176288
Energy: 0.8114805290028025
Energy: 0.8326666663188487
Energy: 0.8114805289912428
Energy: 0.7085032171277335
Energy: 0.7795257584555628
Energy: 0.699567267442496
Energy: 0.7795257584411133
Energy: 0.7499792147384398
Energy: 0.7508162217947948
Energy: 0.6578824735601276
Energy: 0.7508162217947948
Energy: 0.7245082576888351
Energy: 0.7584315470994991
Energy: 0.7533254032385933
Energy: 0.7584315471120221
Energy: 0.7101731795645979
Energy: 0.8272302203761741
Energy: 0.8230959667493913
Energy: 0.8272302203597978
Energy: 0.668785342250883
Energy: 0.7537415397674233
Energy: 0.7212679685740851
Energy: 0.7537415397654966
Energy: 0.8959418277443859
Energy: 0.8240206576469504
Energy: 0.6833224121719215
Energy: 0.8240206576411706
Energy: 0.8594579262920946
Energy: 0.7318364007720557
Energy: 0.7880915545742784
Energy: 0.7318364007662758
Energy: 0.7516735902461189
Energy: 0.7941749668825177
Energy: 0.7314944595676681
Energy: 0.7941749668873341
Energy: 0.7010910290053025
Energy: 0.8136914739360744
Energy: 0.8178057671181047
Energy: 0.8136914739360744
Energy: 0.7543461755982593
Energy: 0.860737152780507
Energy: 0.8147554645454691
Energy: 0.8607371527853235
Energy: 0.8339558867357467
Energy: 0.8344778006681495
Energy: 0.7978556898127129
Energy: 0.8344778006681495
Energy: 0.8748552269359754
Energy: 0.8778716983690821
Energy: 0.7473582525856639
Energy: 0.8778716983642655
Energy: 0.7436508841033501
Energy: 0.8391901252955016
Energy: 0.7094635263775508
Energy: 0.8391901252926118
Energy: 0.8319961723640782
Energy: 0.7957372648117483
Energy: 0.7974748704474284
Energy: 0.7957372648194548
Energy: 0.7062656443300326
Energy: 0.7922115707083498
Energy: 0.704881438080387
Energy: 0.7922115706967903
Energy: 0.7228926943105085
Energy: 0.7438032512791096
Energy: 0.8122496099543819
Energy: 0.7438032512791096
Energy: 0.7225100606703513
Energy: 0.8004149795488847
Energy: 0.7924643101002083
Energy: 0.800414979565261
Energy: 0.7047656591898459
Energy: 0.7716350710831662
Energy: 0.8160895911819763
Energy: 0.7716350710879828

minimum gb energy = 0.6578824735601276 eV
minimum distance =  2.20441894759064 Angstroms
sigma value = 25


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

Energy: 0.701133936912028
Energy: 0.845059359875276
Energy: 0.8919427054386241
Energy: 0.7701259444186208
Energy: 0.868623031575259
Energy: 0.7831687236060443
Energy: 0.7790121274556323
Energy: 0.7831687236071642
Energy: 0.8728102094857557
Energy: 0.8523193523501285
Energy: 0.683922498627252
Energy: 0.852319352346769
Energy: 0.741049602693776
Energy: 0.8535746852369639
Energy: 0.7395527703277498
Energy: 0.853574685235844
Energy: 0.7050365810357616
Energy: 0.7731267369682698
Energy: 0.7418647795519951
Energy: 0.7731267369660302
Energy: 0.7323429315832953
Energy: 0.7308798071906054
Energy: 0.8013976300881145
Energy: 0.7308798071917252
Energy: 0.7506704329237589
Energy: 0.8822986053707453
Energy: 0.8428315881842078
Energy: 0.8822986053741048
Energy: 0.8298071047032429
Energy: 0.8683340934877036
Energy: 0.7141988857752521
Energy: 0.8683340934832243
Energy: 0.8513322903805395
Energy: 0.8542640765969255
Energy: 0.7951792496224585
Energy: 0.8542640766002849
Energy: 0.7240037334672704
Energy: 0.8729853204037298
Energy: 0.7596320418156929
Energy: 0.8729853204059695
Energy: 0.7384412056187453
Energy: 0.7512799172169197
Energy: 0.8078389303939036
Energy: 0.7512799172236386
Energy: 0.7694513479274572
Energy: 0.7747677067015651
Energy: 0.6551076982552403
Energy: 0.7747677067015651
Energy: 0.7796267570858592
Energy: 0.7529558338554296
Energy: 0.6752175008147269
Energy: 0.7529558338543099
Energy: 0.7554268649179617
Energy: 0.8168432281009534
Energy: 0.6609691708438731
Energy: 0.8168432281065525
Energy: 0.6997658650592941
Energy: 0.8361994212397017
Energy: 0.8447772874673202
Energy: 0.8361994212385819
Energy: 0.8049425607510511
Energy: 0.729292477482145
Energy: 0.888836512468046
Energy: 0.729292477482145
Energy: 0.7743051170359224
Energy: 0.7937731443131333
Energy: 0.7001373121803792
Energy: 0.793773144320972
Energy: 0.8028951550318014
Energy: 0.7828447856086287
Energy: 0.6459654607849965
Energy: 0.7828447856086287
Energy: 0.8480470091800654
Energy: 0.8699570537691486
Energy: 0.75168429894413
Energy: 0.869957053772508
Energy: 0.7763257168592739
Energy: 0.8644381406258747
Energy: 0.8115988288991202
Energy: 0.8644381406292342
Energy: 0.7644060202760874
Energy: 0.870699853184299
Energy: 0.8893386382746384
Energy: 0.8706998531820594
Energy: 0.6693645795554256
Energy: 0.8443301730003512
Energy: 0.7990068396196576
Energy: 0.8443301729925125
Energy: 0.7713933566460808
Energy: 0.7740084319902927
Energy: 0.7306043736625828
Energy: 0.7740084319858134
Energy: 0.7137170537668807
Energy: 0.8421178951063227
Energy: 0.7842106930256935
Energy: 0.842117895104083
Energy: 0.6691406490826286
Energy: 0.7324174975189879
Energy: 0.8471629705719401
Energy: 0.7324174975223473

minimum gb energy = 0.6459654607849965 eV
minimum distance =  2.19439523103747 Angstroms
sigma value = 9


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

Energy: 0.985764143913304
Energy: 0.7784363630388444
Energy: 0.7633668108053462
Energy: 0.6180823116129847
Energy: 0.9269897223431893
Energy: 0.9698031643953653
Energy: 0.8088430693566893
Energy: 0.9698031643940295
Energy: 0.8571673575748897
Energy: 0.7780328398412664
Energy: 0.6022159843697228
Energy: 0.778032839833251
Energy: 0.8523368771049353
Energy: 0.9831845942205013
Energy: 0.8084780241629421
Energy: 0.9831845942205013
Energy: 0.9180829433535185
Energy: 0.7435028255875865
Energy: 0.7432682814711535
Energy: 0.7432682814711535
Energy: 0.7038095117762825
Energy: 0.8589034876462177
Energy: 0.8072929901062896
Energy: 0.8589034876448818
Energy: 0.8000921159843333
Energy: 0.8869280467322403
Energy: 0.9751035503189736
Energy: 0.8869280467309045
Energy: 0.8101403435336824
Energy: 0.9003694200100766
Energy: 0.7567114324391359
Energy: 0.9003694200100766
Energy: 0.7429672260507174
Energy: 0.7438888036199404
Energy: 0.7840050691588719
Energy: 0.7438888036266197
Energy: 0.807554839334445
Energy: 0.7351742166582894
Energy: 0.5944071563055695
Energy: 0.7351742166622969
Energy: 0.7169590637900857
Energy: 0.7038133051177577
Energy: 0.7893234049709721
Energy: 0.7038133051204295
Energy: 0.7504277967768519
Energy: 0.7850651509273676
Energy: 0.810269201021467
Energy: 0.7850651509246959
Energy: 0.7932435492929594
Energy: 0.8755627072412235
Energy: 0.7003637794802792
Energy: 0.8755627072238572
Energy: 0.8373036952419978
Energy: 0.7852955072745847
Energy: 0.7734929096535611
Energy: 0.7852955072719129
Energy: 0.746929133185638
Energy: 0.7438174771637613
Energy: 0.7319692858937105
Energy: 0.743817477169105
Energy: 0.6381862596375322
Energy: 0.8157535289389806
Energy: 0.803053357870435
Energy: 0.815753528936309
Energy: 0.7818347394419859
Energy: 0.8838519438616844
Energy: 0.957657873584414
Energy: 0.8838519438603486
Energy: 0.7701566733474152
Energy: 0.8563190340462463
Energy: 0.7561302157578801
Energy: 0.8563190340449104
Energy: 0.7436105014784956
Energy: 0.7446436702363776
Energy: 0.7691596995566546
Energy: 0.7446436702363776
Energy: 0.807676712755495
Energy: 0.7231171711339544
Energy: 0.7910273161488937
Energy: 0.7231171711433054
Energy: 0.7173740718314167
Energy: 0.7141836333079031
Energy: 0.7915626538877538
Energy: 0.7141836333119107

minimum gb energy = 0.5944071563055695 eV
minimum distance =  2.21532479188514 Angstroms
sigma value = 25


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

Energy: 0.6698606029163257
Energy: 0.9054441547051426
Energy: 0.8585645584800659
Energy: 0.7204633419865568
Energy: 0.8568968059362305
Energy: 0.8631106584917668
Energy: 0.7575952924862458
Energy: 0.8631106584868106
Energy: 0.9078572423405645
Energy: 0.862380865060597
Energy: 0.7435223344269435
Energy: 0.862380865060597
Energy: 0.8627504300124901
Energy: 0.9590669573029986
Energy: 0.7598363306977158
Energy: 0.9590669573046506
Energy: 0.6648531773583535
Energy: 0.8007834083411957
Energy: 0.758122681141583
Energy: 0.8007834083444999
Energy: 0.7441609555392347
Energy: 0.8688583282320949
Energy: 0.757607690884649
Energy: 0.8688583282320949
Energy: 0.8693734930504078
Energy: 0.8140600971673798
Energy: 0.8056890547222118
Energy: 0.8140600971640758
Energy: 0.7381895664708612
Energy: 0.8370164484861208
Energy: 0.7616247935483654
Energy: 0.8370164484861208
Energy: 0.855130471939226
Energy: 0.8327683804328102
Energy: 0.8696086392062303
Energy: 0.8327683804328102
Energy: 0.8665682626960131
Energy: 0.8251205353826888
Energy: 0.7916476854846682
Energy: 0.8251205353810367
Energy: 0.7501104200477153
Energy: 0.8596744641751703
Energy: 0.8531839165189409
Energy: 0.8596744641735183
Energy: 0.7793317900144704
Energy: 0.8586332129082761
Energy: 0.8641995456263803
Energy: 0.8586332129082761
Energy: 0.7579777143812062
Energy: 0.8298346153088236
Energy: 0.7666269346895266
Energy: 0.8298346153088236
Energy: 0.7612126898047235
Energy: 0.8673767358737348
Energy: 0.782215295713415
Energy: 0.8673767358737348
Energy: 0.8034588025043111
Energy: 0.8088098709869347
Energy: 0.7353894642516426
Energy: 0.8088098709836681
Energy: 0.7598753511377478
Energy: 0.8397392148590065
Energy: 0.7066434461807631
Energy: 0.8397392148590065
Energy: 0.872391033687431
Energy: 0.8214159619359742
Energy: 0.8364417492635177
Energy: 0.8214159619376262

minimum gb energy = 0.6648531773583535 eV
minimum distance =  2.23245289723542 Angstroms
sigma value = 17


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

Energy: 0.9377888204395501
Energy: 0.8057798945963008
Energy: 0.7732278930875335
Energy: 0.7171999149736976
Energy: 0.7734284498954451
Energy: 0.8441746753081156
Energy: 0.7554406518530927
Energy: 0.8441746753090512
Energy: 0.7697697310614755
Energy: 0.737996340987824
Energy: 0.7490346124734288
Energy: 0.7379963409887595
Energy: 0.7366007469852353
Energy: 0.803098797607637
Energy: 0.7187711211061972
Energy: 0.8030987976038942
Energy: 0.8244241163384752
Energy: 0.8108473094320524
Energy: 0.7240896368365951
Energy: 0.8108473094320524
Energy: 0.7090342940696605
Energy: 0.8489786726182454
Energy: 0.7426280812369628
Energy: 0.8489786726182454
Energy: 0.6809953029066946
Energy: 0.7510680437797476
Energy: 0.7283719002289445
Energy: 0.7510680437806831
Energy: 0.7618490931178522
Energy: 0.7788488627518115
Energy: 0.749822591623938
Energy: 0.7788488627499403
Energy: 0.8815442876655887
Energy: 0.8020803066292362
Energy: 0.714090831844575
Energy: 0.8020803066301718
Energy: 0.747009111182346
Energy: 0.8433007549057613
Energy: 0.7142603828070946
Energy: 0.8433007549029543
Energy: 0.6851447993570611
Energy: 0.7957453723607065
Energy: 0.7338937993091368
Energy: 0.7957453723588352
Energy: 0.7161894592316054
Energy: 0.7971672429657534
Energy: 0.7365418118224345
Energy: 0.7971672429638821
Energy: 0.7412958671236461
Energy: 0.802500460203388
Energy: 0.7787536897760146
Energy: 0.802500460203388
Energy: 0.7411338779916861
Energy: 0.861344922833623
Energy: 0.7368278454905758
Energy: 0.8613449228364299
Energy: 0.7473157274197083
Energy: 0.8399806269728632
Energy: 0.7873603263903433
Energy: 0.8399806269728632
Energy: 0.8080837514386026
Energy: 0.7796930842341617
Energy: 0.78511380527327
Energy: 0.7796930842304192
Energy: 0.7342650542212629
Energy: 0.846485786783772
Energy: 0.7715571241426507
Energy: 0.8464857867809649
Energy: 0.7437843140648708
Energy: 0.6880768432140278
Energy: 0.7277312428282137
Energy: 0.6880768432140278
Energy: 0.7392458471501796
Energy: 0.865524119993636
Energy: 0.747008700554689
Energy: 0.8655241199983142
Energy: 0.8462771477711316
Energy: 0.8358460761277915
Energy: 0.7469156072255343
Energy: 0.8358460761268558
Energy: 0.739550187258434
Energy: 0.8037337998986651
Energy: 0.6668688920517558
Energy: 0.8037337999014721
Energy: 0.7686820380134404
Energy: 0.7577339671000342
Energy: 0.6755363915817422
Energy: 0.7577339671009699
Energy: 0.6856411882043827
Energy: 0.8427720684386764
Energy: 0.7728093288204627
Energy: 0.8427720684358695
Energy: 0.7198045623173179
Energy: 0.7761269037192147
Energy: 0.855092593969196
Energy: 0.7761269037192147
Energy: 0.7353171285924565
Energy: 0.8710954433432817
Energy: 0.786435734486743
Energy: 0.8710954433386034
Energy: 0.795075962574645
Energy: 0.7972576056288719
Energy: 0.7692490552935853
Energy: 0.7972576056251292
Energy: 0.7339554947577486
Energy: 0.8620570993065243
Energy: 0.6781579636968234
Energy: 0.8620570993065243
Energy: 0.7293105235724329
Energy: 0.7952976460270574
Energy: 0.7293459655577547
Energy: 0.7952976460214436
Energy: 0.7365539376531024
Energy: 0.80146874214105
Energy: 0.7366496826177972
Energy: 0.80146874214105
Energy: 0.7840229550428928
Energy: 0.7827094498511552
Energy: 0.8682801537360003
Energy: 0.7827094498520908

minimum gb energy = 0.6668688920517558 eV
minimum distance =  2.21099003700511 Angstroms
sigma value = 53


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

Energy: 0.8864561274912063
Energy: 0.717004045383266
Energy: 0.7618852897658804
Energy: 0.5834373764997055
Energy: 0.7186414802162091
Energy: 0.7942830187255019
Energy: 0.7118591979171215
Energy: 0.7942830187233477
Energy: 0.75583888079146
Energy: 0.6647750143774747
Energy: 0.6549890611255348
Energy: 0.6647750143796286
Energy: 0.6635214614362726
Energy: 0.7883873816901192
Energy: 0.8788847848431395
Energy: 0.7883873816858112
Energy: 0.666889453849831
Energy: 0.7981117376907443
Energy: 0.5832592545794955
Energy: 0.7981117376885901
Energy: 0.6682896308908065
Energy: 0.8109634193580413
Energy: 0.582901220968748
Energy: 0.8109634193451172
Energy: 0.6797386349073994
Energy: 0.6673779142537335
Energy: 0.727049218956
Energy: 0.6673779142494255
Energy: 0.6834324128004937
Energy: 0.7981068249105521
Energy: 0.8294035647052724
Energy: 0.7981068249148602
Energy: 0.7532100860676156
Energy: 0.6660609566547915
Energy: 0.6086708722556737
Energy: 0.6660609566504834
Energy: 0.7752220020920293
Energy: 0.7959289711993429
Energy: 0.6929658490221653
Energy: 0.7959289712014969
Energy: 0.6658234821626947
Energy: 0.7941192279980123
Energy: 0.5849934871075745
Energy: 0.7941192279937042
Energy: 0.6654736876522108
Energy: 0.7962344324327386
Energy: 0.648819464926257
Energy: 0.7962344324284304
Energy: 0.6843424921929748
Energy: 0.8068393390941908
Energy: 0.8660491016722617
Energy: 0.8068393390941908

minimum gb energy = 0.582901220968748 eV
minimum distance =  2.23651405068107 Angstroms
sigma value = 9


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

Energy: 0.8121646846152003
Energy: 0.7581906157147743
Energy: 0.9443961104281986
Energy: 0.7087013419331643
Energy: 0.7117166416287258
Energy: 0.7136380155620877
Energy: 0.8754742281557288
Energy: 0.7136380155588987
Energy: 0.6650794914371708
Energy: 0.6720539256824474
Energy: 0.7654635595761398
Energy: 0.6720539256824474
Energy: 0.6728249988953574
Energy: 0.6698489598487876
Energy: 0.8309298581671517
Energy: 0.6698489598471932
Energy: 0.7130997139213677
Energy: 0.6777869773701952
Energy: 0.7373431969544451
Energy: 0.677786977369398
Energy: 0.7057878499492689
Energy: 0.8743385521408528
Energy: 0.7370068001337982
Energy: 0.8743385521392583
Energy: 0.6917735369350487
Energy: 0.7420147764799023
Energy: 0.8481400323924217
Energy: 0.7420147764751189
Energy: 0.7451434385073886
Energy: 0.7356191433370501
Energy: 0.7731383342651201
Energy: 0.7356191433442253
Energy: 0.6730895481590197
Energy: 0.7931594697531708
Energy: 0.7057409272773759
Energy: 0.7931594697372258
Energy: 0.6751474388261468
Energy: 0.8057329873035886
Energy: 0.7347981122909518
Energy: 0.805732987308372
Energy: 0.6974056484284524
Energy: 0.6918178089574116
Energy: 0.8210522707321646
Energy: 0.691817808959006
Energy: 0.7726126742999656
Energy: 0.7377449125543929
Energy: 0.7051734508464864
Energy: 0.7377449125567846
Energy: 0.7273695959406531
Energy: 0.8540210584596543
Energy: 0.7926409698768244
Energy: 0.8540210584564653
Energy: 0.7305547981363003
Energy: 0.6959233805192333
Energy: 0.6809968995518926
Energy: 0.6959233805239443
Energy: 0.767596935817103
Energy: 0.7930447123042442
Energy: 0.7193968439410164
Energy: 0.7930447123082306
Energy: 0.7098081929971806
Energy: 0.7933259832728229
Energy: 0.6870403862880321
Energy: 0.7933259832712285
Energy: 0.7892796078083135
Energy: 0.8726298134845509
Energy: 0.7183115773856877
Energy: 0.8726298134829565
Energy: 0.8126436646338459
Energy: 0.7208059616759457
Energy: 0.803969983748129
Energy: 0.7208059616799318
Energy: 0.8711908789180406
Energy: 0.7336444375354406
Energy: 0.7437651611439361
Energy: 0.7336444375386296
Energy: 0.8477164183425102
Energy: 0.6723356516418157
Energy: 0.6659481497694292
Energy: 0.6723356516418157
Energy: 0.8172128221704409
Energy: 0.6701254786071887
Energy: 0.6710021320911913
Energy: 0.6701254786039997
Energy: 0.7415988780857737
Energy: 0.6775352294838677
Energy: 0.7393157472535579
Energy: 0.6775352294870566
Energy: 0.741398948244009
Energy: 0.6827036217097071
Energy: 0.7059479105156914
Energy: 0.6827036217041265
Energy: 0.8449271935443358
Energy: 0.8140365862779004
Energy: 0.6928303899422298
Energy: 0.8140365862739143
Energy: 0.7745906972691997
Energy: 0.7268976842228383
Energy: 0.7025412437338248
Energy: 0.7268976842244329
Energy: 0.6863417116885805
Energy: 0.7944211665779758
Energy: 0.6725997410521691
Energy: 0.7944211665842813
Energy: 0.748599383486759
Energy: 0.7901045124031394
Energy: 0.7758783411370106
Energy: 0.7901045124063284
Energy: 0.8164502246702731
Energy: 0.6851605709585269
Energy: 0.697765739356728
Energy: 0.6851605709585269
Energy: 0.7284936830035993
Energy: 0.7396932154874954
Energy: 0.7528301708994749
Energy: 0.7396932154906843
Energy: 0.7959954146019148
Energy: 0.791364312080746
Energy: 0.7271112217931731
Energy: 0.7913643120775571
Energy: 0.6851046866037577
Energy: 0.6867703207642143
Energy: 0.6739600956872995
Energy: 0.6867703207634172
Energy: 0.69746108635589
Energy: 0.7943786638077058
Energy: 0.7808390115863485
Energy: 0.7943786638069085
Energy: 0.6913611993314772
Energy: 0.796067196380627
Energy: 0.7023612095418807
Energy: 0.7960671963822215
Energy: 0.718556114800895
Energy: 0.8012333455703613
Energy: 0.7307704929714698
Energy: 0.8012333455719559
Energy: 0.7161674874699557
Energy: 0.7271991638440161
Energy: 0.8176526721692302
Energy: 0.7271991638400299

minimum gb energy = 0.6650794914371708 eV
minimum distance =  2.22518356199707 Angstroms
sigma value = 73


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

Energy: 0.9092614342874895
Energy: 0.7694075348159081
Energy: 0.7521957588663929
Energy: 0.6931572237590377
Energy: 0.6978115253471684
Energy: 0.8391108723115587
Energy: 0.792753824377191
Energy: 0.8391108723153246
Energy: 0.6935499560339669
Energy: 0.7123267887813256
Energy: 0.6908624138477722
Energy: 0.7123267887825906
Energy: 0.7053175000621483
Energy: 0.6974745758182783
Energy: 0.8220708115346106
Energy: 0.6974745758208082
Energy: 0.7016016028087605
Energy: 0.6924654971975402
Energy: 0.7962096525145415
Energy: 0.6924654971988052
Energy: 0.7518103387950849
Energy: 0.9497649279830503
Energy: 0.7898550637746748
Energy: 0.9497649279906396
Energy: 0.7739788100178746
Energy: 0.8109569308478093
Energy: 0.8068598091547726
Energy: 0.8109569308465443
Energy: 0.8138555339596555
Energy: 0.7545361335717081
Energy: 0.7590869611569164
Energy: 0.7545361335767676
Energy: 0.7326741102775398
Energy: 0.805928442151431
Energy: 0.7539579720342404
Energy: 0.8059284421438416
Energy: 0.6731922343449948
Energy: 0.8595784265334853
Energy: 0.7494792540579656
Energy: 0.8595784265322203
Energy: 0.7252824514591392
Energy: 0.6645061176610588
Energy: 0.7663290510028486
Energy: 0.6645061176686481
Energy: 0.7696268696528805
Energy: 0.7128260817670394
Energy: 0.7003300032335925
Energy: 0.7128260817695691
Energy: 0.7046106712190321
Energy: 0.6578234367824909
Energy: 0.7985333943039229
Energy: 0.6578234367824909
Energy: 0.6960627275753442
Energy: 0.771357625640569
Energy: 0.6931329723401064
Energy: 0.7713576256380392
Energy: 0.7433576992794879
Energy: 0.6745503250427087
Energy: 0.6955401633835712
Energy: 0.6745503250477682
Energy: 0.7753558249056821
Energy: 0.6917467103516283
Energy: 0.702786077811578
Energy: 0.6917467103490985
Energy: 0.7788435770116273
Energy: 0.9589459717025922
Energy: 0.7500852757634853
Energy: 0.9589459717038571
Energy: 0.7983002171979973
Energy: 0.7872285055896797
Energy: 0.7457333428045847
Energy: 0.7872285055934745
Energy: 0.7683485656208477
Energy: 0.7535198577398131
Energy: 0.7666094554871836
Energy: 0.7535198577436077
Energy: 0.7442638779418863
Energy: 0.8538655664531789
Energy: 0.7569209612454497
Energy: 0.8538655664493843
Energy: 0.7629221623666411
Energy: 0.8893007267386083
Energy: 0.6718571126500167
Energy: 0.8893007267360784
Energy: 0.6989979637582795
Energy: 0.7955426418175792
Energy: 0.7769162324165653
Energy: 0.7955426418226386

minimum gb energy = 0.6578234367824909 eV
minimum distance =  2.22303168626385 Angstroms
sigma value = 7


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

Energy: 0.9447961273861256
Energy: 0.7556701399859902
Energy: 0.8794343686276543
Energy: 0.6979651183154029
Energy: 0.7715602447526234
Energy: 0.9040711174052595
Energy: 0.8460118711887048
Energy: 0.9040711174043651
Energy: 0.6662804178266342
Energy: 0.6712433455692944
Energy: 0.7062616889137192
Energy: 0.6712433455657167
Energy: 0.6635300584593095
Energy: 0.6674558541533739
Energy: 0.8061120502560557
Energy: 0.6674558541614236
Energy: 0.7011691558547484
Energy: 0.6988485344826579
Energy: 0.721996882049944
Energy: 0.6988485344844467
Energy: 0.7892011969923235
Energy: 0.8349210085543278
Energy: 0.7253976962161506
Energy: 0.8349210085587998
Energy: 0.8242324470829265
Energy: 0.8080113619008165
Energy: 0.7966292878423024
Energy: 0.8080113618838227
Energy: 0.8147976518914499
Energy: 0.7369197945564759
Energy: 0.6717845711351113
Energy: 0.736919794545743
Energy: 0.7839858845528914
Energy: 0.7094434399544017
Energy: 0.6832447072842212
Energy: 0.7094434399517185
Energy: 0.7544574728627211
Energy: 0.6697070578262412
Energy: 0.6722789000014632
Energy: 0.66970705782803
Energy: 0.8075977422639004
Energy: 0.8646964360442938
Energy: 0.7939066126328861
Energy: 0.8646964360460827
Energy: 0.7621242798278559
Energy: 0.7469534877957127
Energy: 0.7468641168196701
Energy: 0.7469534877975016
Energy: 0.7394330697046867
Energy: 0.8368133523075117
Energy: 0.7852173151113353
Energy: 0.8368133523075117
Energy: 0.7516452269599366
Energy: 0.8959312287077359
Energy: 0.6957199159521574
Energy: 0.8959312287041583
Energy: 0.7646132112203345
Energy: 0.8369767619671267
Energy: 0.6917471655361873
Energy: 0.8369767619715986
Energy: 0.806262410907388
Energy: 0.7506954841204825
Energy: 0.7759298270147889
Energy: 0.7506954841240601
Energy: 0.7721073869878244
Energy: 0.7320587262933023
Energy: 0.8288594898644275
Energy: 0.7320587262959449
Energy: 0.6680822720891809
Energy: 0.666623364664293
Energy: 0.7032674341268542
Energy: 0.6666233646759204
Energy: 0.6810731763370671
Energy: 0.7133587023342532
Energy: 0.8295709133239628
Energy: 0.7133587023405141
Energy: 0.7057370476438743
Energy: 0.7357889106626401
Energy: 0.8271551250188925
Energy: 0.7357889106626401
Energy: 0.7603781955675383
Energy: 0.7985370123931724
Energy: 0.7248753344899448
Energy: 0.7985370124021165
Energy: 0.7709978990928426
Energy: 0.8272332690551902
Energy: 0.7973481669245741
Energy: 0.8272332690462461
Energy: 0.8066331766990845
Energy: 0.7298022508406095
Energy: 0.6737725611760307
Energy: 0.7298022508397151
Energy: 0.8056873033282568
Energy: 0.6744153463055713
Energy: 0.665440695449487
Energy: 0.6744153463171987
Energy: 0.788774406136214
Energy: 0.6651920155190731
Energy: 0.6665754660075315
Energy: 0.665192015514601
Energy: 0.7972093438943695
Energy: 0.8531175379596833
Energy: 0.7455279745128824
Energy: 0.8531175379623666
Energy: 0.790861959118316
Energy: 0.7457130689830811
Energy: 0.9314793040692824
Energy: 0.7457130689634042
Energy: 0.7519772451780652
Energy: 0.8637508334624058
Energy: 0.7843881136457649
Energy: 0.8637508334641946
Energy: 0.7509912843987128
Energy: 0.8932595256999866
Energy: 0.7469624193970875
Energy: 0.8932595256981978
Energy: 0.7281392315760167
Energy: 0.8635213845252903
Energy: 0.6807618964695002
Energy: 0.8635213845208182
Energy: 0.8109548207636302
Energy: 0.7928346225879468
Energy: 0.7816976385725054
Energy: 0.7928346225897357

minimum gb energy = 0.6635300584593095 eV
minimum distance =  2.22852257478709 Angstroms
sigma value = 29


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

Energy: 0.715793747352872
Energy: 0.6349959162435996
Energy: 0.6360336752107458
Energy: 0.7399306502133063
Energy: 0.6759083163007537
Energy: 0.6808169361252028
Energy: 0.7151683743937531
Energy: 0.6808169361276605
Energy: 0.6793786707841921
Energy: 0.6352488648086037
Energy: 0.5176258848562252
Energy: 0.6352488647952069
Energy: 0.6023205899449531
Energy: 0.8280773198056769
Energy: 0.7240796997878783
Energy: 0.8280773198075114
Energy: 0.6814547964906644
Energy: 0.6790277526604691
Energy: 0.5736165959808267
Energy: 0.679027752664727
Energy: 0.7237025888223702
Energy: 0.8084660800540037
Energy: 0.5750659702969935
Energy: 0.8084660800524804
Energy: 0.5180039131736435
Energy: 0.6414404699783128
Energy: 0.6778015266147429
Energy: 0.641440469973155
Energy: 0.7562537678563124
Energy: 0.6815870488909929
Energy: 0.6189091117127926
Energy: 0.6815870488928276
Energy: 0.6141065575174833
Energy: 0.7970513044975913
Energy: 0.6670703021259617
Energy: 0.7970513044954451

minimum gb energy = 0.5176258848562252 eV
minimum distance =  2.23213560915423 Angstroms
sigma value = 5


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

Energy: 0.8084661964009693
Energy: 0.758379271480137
Energy: 0.7326511078579173
Energy: 0.6928712656143772
Energy: 0.8031351113587377
Energy: 0.6725336627470173
Energy: 0.8218735075803419
Energy: 0.6725336627411034
Energy: 0.8231983899549291
Energy: 0.8325749829064931
Energy: 0.7939842504707219
Energy: 0.832574982908183
Energy: 0.7032517210585861
Energy: 0.7321875691497647
Energy: 0.7862548026344447
Energy: 0.7321875691489197
Energy: 0.7814841375284808
Energy: 0.6983614355358323
Energy: 0.7522985224217668
Energy: 0.6983614355425913
Energy: 0.7171048561484056
Energy: 0.7321458276339549
Energy: 0.7096350689759194
Energy: 0.7321458276347997
Energy: 0.7071184557780509
Energy: 0.7195503690890512
Energy: 0.7762111063111096
Energy: 0.7195503690797574
Energy: 0.7067960253390896
Energy: 0.7155008411033786
Energy: 0.8105830859697111
Energy: 0.7155008411025339
Energy: 0.7081192935416694
Energy: 0.7672446319434111
Energy: 0.8689844080140583
Energy: 0.7672446319442561
Energy: 0.8221162835267339
Energy: 0.681592937833757
Energy: 0.6619895099356954
Energy: 0.6815929378312223
Energy: 0.724645848459778
Energy: 0.6536825518257883
Energy: 0.6733826858223017
Energy: 0.6536825518240985
Energy: 0.7447139890468362
Energy: 0.6657439857743486
Energy: 0.693064100057767
Energy: 0.6657439857726588
Energy: 0.789832605308884
Energy: 0.8231612559568163
Energy: 0.7340914794980978
Energy: 0.8231612559568163
Energy: 0.7218844684064442
Energy: 0.8477791898602093
Energy: 0.7346656570327
Energy: 0.8477791898602093
Energy: 0.7065679755035302
Energy: 0.7204759975428277
Energy: 0.7604178478447734
Energy: 0.7204759974811514
Energy: 0.6952532265041808
Energy: 0.7502300000527834
Energy: 0.7751540891333387
Energy: 0.750230000055318
Energy: 0.7200321829792478
Energy: 0.7256042467597463
Energy: 0.765419144216464
Energy: 0.7256042467597463
Energy: 0.8134596883219356
Energy: 0.7041990131720205
Energy: 0.694950457325143
Energy: 0.7041990131737101
Energy: 0.7951942253659903
Energy: 0.718837367204581
Energy: 0.8318142463121846
Energy: 0.7188373672214017
Energy: 0.7806119131601931
Energy: 0.7264023446452736
Energy: 0.7041527975511254
Energy: 0.7264023446427391
Energy: 0.7764477251106368
Energy: 0.7064619985344748
Energy: 0.7717847092769425
Energy: 0.7064619985285605
Energy: 0.709036110698912
Energy: 0.7182653490816381
Energy: 0.721053928427551
Energy: 0.7182653490841726
Energy: 0.780167257335639
Energy: 0.7331591007128428
Energy: 0.7030087946197394
Energy: 0.7331591007153775
Energy: 0.8060007836267009
Energy: 0.7184394033766391
Energy: 0.7211450647704166
Energy: 0.7184394033800184
Energy: 0.8595900930288608
Energy: 0.7497263349399497
Energy: 0.724939644134428
Energy: 0.7497263349399497
Energy: 0.6626226231811395
Energy: 0.7099173912782497
Energy: 0.7536484426463382
Energy: 0.7099173912774048
Energy: 0.6544306813318683
Energy: 0.66676285135043
Energy: 0.7218557096175092
Energy: 0.6667628513538096
Energy: 0.6679600101386356
Energy: 0.6670975284281311
Energy: 0.742336719461608
Energy: 0.6670975284315106
Energy: 0.727421566297136
Energy: 0.7315040170829717
Energy: 0.7940295853189555
Energy: 0.7315040170821268
Energy: 0.7234618896640684
Energy: 0.7506985122428006
Energy: 0.7271145870716419
Energy: 0.7506985122470251
Energy: 0.774170302229805
Energy: 0.7190488021916028
Energy: 0.7106623135545319
Energy: 0.7190488021890682
Energy: 0.7788652604518889
Energy: 0.7279579137757027
Energy: 0.6975881287488528
Energy: 0.727957913773168
Energy: 0.77195629411904
Energy: 0.7319062100376558
Energy: 0.7246003147508434
Energy: 0.7319062100376558

minimum gb energy = 0.6536825518240985 eV
minimum distance =  2.22840022091389 Angstroms
sigma value = 1


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

Energy: 0.816735554783119
Energy: 0.7526903929355627
Energy: 0.7119273503633347
Energy: 0.668653005740387
Energy: 0.7544219520565287
Energy: 0.7082672699503867
Energy: 0.7767691667946768
Energy: 0.7082672699515549
Energy: 0.909572781999093
Energy: 0.8055177129625846
Energy: 0.8157393883272493
Energy: 0.8055177129637529
Energy: 0.7073420579141442
Energy: 0.7461911177734626
Energy: 0.7591053036508874
Energy: 0.7461911177711261
Energy: 0.795559526088071
Energy: 0.7089011038313637
Energy: 0.6941321362511538
Energy: 0.708901103826691
Energy: 0.7118813732858975
Energy: 0.7019881510651481
Energy: 0.7443723354462145
Energy: 0.7019881510674846
Energy: 0.7339915889198126
Energy: 0.7280778866344917
Energy: 0.7402478044213304
Energy: 0.728077886623978
Energy: 0.7115192282928312
Energy: 0.6983991489679103
Energy: 0.8757014826400249
Energy: 0.6983991489644058
Energy: 0.7452716176521824
Energy: 0.7315562525473487
Energy: 0.8409449112952828
Energy: 0.7315562525508533
Energy: 0.7182696500699001
Energy: 0.7103927575119094
Energy: 0.7066897423278925
Energy: 0.7103927575165822
Energy: 0.7603126018762901
Energy: 0.6915395907751108
Energy: 0.7409971115246619
Energy: 0.6915395907786155
Energy: 0.7266854628123836
Energy: 0.7247452892588044
Energy: 0.6845094572609204
Energy: 0.7247452892623089
Energy: 0.8139684000397689
Energy: 0.7773056026966356
Energy: 0.787212802273282
Energy: 0.7773056027001402
Energy: 0.7540326703873109
Energy: 0.7037078089426073
Energy: 0.815300317005467
Energy: 0.7037078089402709
Energy: 0.7399051595595753
Energy: 0.8006495541909995
Energy: 0.8920027883944529
Energy: 0.8006495541991767
Energy: 0.7625116484046465
Energy: 0.7042433273376828
Energy: 0.73500859836176
Energy: 0.7042433273306736
Energy: 0.7552551128541088
Energy: 0.7851997961562722
Energy: 0.798855092534331
Energy: 0.7851997961621131
Energy: 0.7278201201579992
Energy: 0.7123152206049922
Energy: 0.6949864104812754
Energy: 0.7123152206038241
Energy: 0.6968455968163477
Energy: 0.7061916570160744
Energy: 0.7284672079210135
Energy: 0.7061916570160744
Energy: 0.7231872973468275
Energy: 0.7819880895322951
Energy: 0.8780630318586117
Energy: 0.7819880895357996
Energy: 0.7164986803813628
Energy: 0.7108363859504222
Energy: 0.7355613143679651
Energy: 0.7108363859469177
Energy: 0.7592848816504719
Energy: 0.6996826279493963
Energy: 0.7073947634386334
Energy: 0.6996826279493963
Energy: 0.7370843313170192
Energy: 0.703322228259319
Energy: 0.7027198211212056
Energy: 0.7033222282663282
Energy: 0.8157878240793779
Energy: 0.6997316819416455
Energy: 0.7149240931872687
Energy: 0.6997316819404773

minimum gb energy = 0.668653005740387 eV
minimum distance =  2.23597375409464 Angstroms
sigma value = 17


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

Energy: 0.9461086291276244
Energy: 0.7503984114665898
Energy: 0.7288509714070599
Energy: 0.7356535034526309
Energy: 0.7115311231316631
Energy: 0.6875106405870813
Energy: 0.780987889381249
Energy: 0.6875106405878035
Energy: 0.8215975900965785
Energy: 0.6841132857184219
Energy: 0.7779618082351543
Energy: 0.6841132857155338
Energy: 0.7647036278758065
Energy: 0.778834381683181
Energy: 0.7563832683080599
Energy: 0.7788343816839031
Energy: 0.7642338016884711
Energy: 0.6548314610137419
Energy: 0.7657999879170345
Energy: 0.6548314610115759
Energy: 0.6360870206494897
Energy: 0.666993177200011
Energy: 0.8510774778941114
Energy: 0.6669931771985671
Energy: 0.6627513828435538
Energy: 0.6483437108325182
Energy: 0.7609637164279925
Energy: 0.6483437108332404
Energy: 0.6779462753556622
Energy: 0.6813312378251479
Energy: 0.806678915967054
Energy: 0.6813312378287582
Energy: 0.7676372246663503
Energy: 0.6388370025697372
Energy: 0.7525080286019459
Energy: 0.6388370025928423
Energy: 0.7278499650279845
Energy: 0.7980274993591085
Energy: 0.827425923018282
Energy: 0.7980274993583866
Energy: 0.8819986317064824
Energy: 0.6620892784776314
Energy: 0.63380937146573
Energy: 0.6620892784797976
Energy: 0.7394559469468559
Energy: 0.7174338537945224
Energy: 0.79101667111963
Energy: 0.7174338537923562
Energy: 0.8378698714090217
Energy: 0.6469209004062816
Energy: 0.7285005656402563
Energy: 0.6469209004055595
Energy: 0.7196292354083014
Energy: 0.6512022088220852
Energy: 0.6980534368981667
Energy: 0.6512022088228072
Energy: 0.7300402146433055
Energy: 0.680759034757322
Energy: 0.7077437920712631
Energy: 0.680759034757322
Energy: 0.7475833872265397
Energy: 0.7671136548753306
Energy: 0.7200199427805907
Energy: 0.7671136548753306
Energy: 0.7211793320153779
Energy: 0.7221026459291157
Energy: 0.7712639468157853
Energy: 0.7221026459327258
Energy: 0.6741518713189731
Energy: 0.6557613132949983
Energy: 0.8033405519825896
Energy: 0.6557613132986084
Energy: 0.6917359053945916
Energy: 0.7256379917582704
Energy: 0.7517068226857756
Energy: 0.7256379917561042
Energy: 0.7793775892793978
Energy: 0.7422836724453172
Energy: 0.7678556812688165
Energy: 0.7422836724489275
Energy: 0.7822550614983463
Energy: 0.7490608613087811
Energy: 0.7140169382225429
Energy: 0.7490608613109472
Energy: 0.788537912658967
Energy: 0.7704986707247408
Energy: 0.8664275181246511
Energy: 0.770498670729073
Energy: 0.7485729812810479
Energy: 0.6668408464165415
Energy: 0.7574452907446702
Energy: 0.6668408464136535
Energy: 0.8288913322570695
Energy: 0.8086227225681406
Energy: 0.746402164443303
Energy: 0.8086227225674185
Energy: 0.8407705782436682
Energy: 0.647359050017197
Energy: 0.626289041042792
Energy: 0.647359050017919
Energy: 0.7779544449058868
Energy: 0.6273196515998167
Energy: 0.6618766142249772
Energy: 0.6273196515998167
Energy: 0.8366722609840012
Energy: 0.677424593846379
Energy: 0.6541213936161024
Energy: 0.6774245938456569
Energy: 0.7457702747683244
Energy: 0.74335328848931
Energy: 0.7589989699000893
Energy: 0.7433532884907541
Energy: 0.7965910742165858
Energy: 0.7694566315883151
Energy: 0.7384387692644391
Energy: 0.7694566315919252
Energy: 0.6480144816169097
Energy: 0.6711699329408186
Energy: 0.8531275583524298
Energy: 0.6711699329400966
Energy: 0.7862009152226754
Energy: 0.6294458030282608
Energy: 0.7418909734576143
Energy: 0.6294458030253727
Energy: 0.7169772397867457
Energy: 0.6299281366333463
Energy: 0.85994676341278
Energy: 0.6299281366333463
Energy: 0.6722482274713872
Energy: 0.656231993835427
Energy: 0.7838888287050679
Energy: 0.656231993836149
Energy: 0.7148604202575733
Energy: 0.6785762700388683
Energy: 0.7713977804074575
Energy: 0.6785762700323701
Energy: 0.7187903187748602
Energy: 0.8866197171350902
Energy: 0.7634322486801796
Energy: 0.8866197171358122
Energy: 0.8184708445740004
Energy: 0.6958719280989927
Energy: 0.7670804229752657
Energy: 0.6958719280968266
Energy: 0.7925944979457937
Energy: 0.658394691660558
Energy: 0.6422942861439117
Energy: 0.6583946916627241
Energy: 0.8092178305666737
Energy: 0.7171985888301645
Energy: 0.6852175230426627
Energy: 0.7171985888294424

minimum gb energy = 0.626289041042792 eV
minimum distance =  2.23540869107265 Angstroms
sigma value = 89


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

Energy: 1.2689485845851716
Energy: 0.7424183697466098
Energy: 0.7523938470590165
Energy: 0.6149428277794909
Energy: 0.6597866129616459
Energy: 0.9637025115987258
Energy: 0.6805322511163092
Energy: 0.9637025115987258
Energy: 0.6556309648338396
Energy: 0.8567422758165893
Energy: 0.6796815954637425
Energy: 0.8567422758165893
Energy: 0.684899308014475
Energy: 1.0138958329165217
Energy: 0.6695560750361931
Energy: 1.0138958329165217
Energy: 0.6817712173418475
Energy: 0.6681444639673114
Energy: 0.6933410530223851
Energy: 0.668144463965422
Energy: 0.7280058080776632
Energy: 0.6678854033734611
Energy: 0.7315597155545449
Energy: 0.6678854033696826
Energy: 0.7285678970190175
Energy: 0.6811922655852479
Energy: 0.6570218554280419
Energy: 0.6811922655890263
Energy: 0.7046970914544891
Energy: 0.6700798214042363
Energy: 0.6179585161897014
Energy: 0.6700798214042363
Energy: 0.687848303034693
Energy: 0.9713013116791164
Energy: 0.8399475471153727
Energy: 0.9713013116791164
Energy: 0.67946322959256
Energy: 0.7939250991572182
Energy: 0.6829982921624147
Energy: 0.7939250991591074
Energy: 0.6733651679431307
Energy: 0.8573872215369946
Energy: 0.7214789167103675
Energy: 0.8573872215369946
Energy: 0.678039386721808
Energy: 0.6679100052969822
Energy: 0.6744330476273558
Energy: 0.6679100049381618
Energy: 0.7257313037419422
Energy: 0.6949554193615759
Energy: 0.7029039983442181
Energy: 0.6949554193634652
Energy: 0.6628355669977458
Energy: 0.6813263387547325
Energy: 0.7430431370797532
Energy: 0.6813263387585109
Energy: 0.8394102234054722
Energy: 0.6688374754965337
Energy: 0.7482228221906985
Energy: 0.6688374754984229

minimum gb energy = 0.6149428277794909 eV
minimum distance =  2.25939246498587 Angstroms
sigma value = 13


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

Energy: 0.9271998565012114
Energy: 0.7599369205812935
Energy: 0.7239054654410457
Energy: 0.76036954596957
Energy: 0.77324102163547
Energy: 0.8187262406828817
Energy: 0.7413366136664163
Energy: 0.8187262406955511
Energy: 0.7851902413462057
Energy: 0.8162159992004117
Energy: 0.7988355996997065
Energy: 0.816215999184575
Energy: 0.7584888724512022
Energy: 0.7891418182103219
Energy: 0.7498002704243794
Energy: 0.7891418182198239
Energy: 0.7601053040275814
Energy: 0.8364282752609228
Energy: 0.759184554472728
Energy: 0.8364282752775514
Energy: 0.764877693901773
Energy: 0.8199846177670107
Energy: 0.7811473841300937
Energy: 0.8199846177773047
Energy: 0.7235295430665644
Energy: 0.6713112537707553
Energy: 0.7810291061118609
Energy: 0.6713112537707553
Energy: 0.7527835409209196
Energy: 0.7104138062219826
Energy: 0.774052930583071
Energy: 0.7104138062251499
Energy: 0.7713472649463106
Energy: 0.718487727990753
Energy: 0.8232041715028907
Energy: 0.7184877280010468
Energy: 0.6883535737808294
Energy: 0.6862846547903524
Energy: 0.7702326740680222
Energy: 0.686284654782506
Energy: 0.7853855629804625
Energy: 0.756134894824162
Energy: 0.9286270217588779
Energy: 0.75613489482337
Energy: 0.7974209158374457
Energy: 0.7363533990830808
Energy: 0.7724691656090027
Energy: 0.7363533990775379
Energy: 0.7948361794795383
Energy: 0.8721292401364383
Energy: 0.7719763784841438
Energy: 0.8721292401451485
Energy: 0.7698773958024611
Energy: 0.9045211072560414
Energy: 0.8180012854272762
Energy: 0.9045211072600007
Energy: 0.7948939334563446
Energy: 0.7794658148309053
Energy: 0.7748074338146316
Energy: 0.7794658148372401
Energy: 0.7825756562386387
Energy: 0.7141847527085992
Energy: 0.7598235936507198
Energy: 0.7141847527323543
Energy: 0.7688066094029212
Energy: 0.6830369703808498
Energy: 0.703157383717204
Energy: 0.6830369703800581
Energy: 0.8116566646121567
Energy: 0.7097944935310034
Energy: 0.7427578620109149
Energy: 0.7097944935467682
Energy: 0.7965518050440415
Energy: 0.7798552125613912
Energy: 0.7622746396413576
Energy: 0.7798552125408036
Energy: 0.7694719206843073
Energy: 0.8339891171225932
Energy: 0.7643601175982648
Energy: 0.8339891171138831
Energy: 0.7820479641119107
Energy: 0.7837926033499887
Energy: 0.7859494333252157
Energy: 0.7837926033642417
Energy: 0.7450427302535014
Energy: 0.8784048796228454
Energy: 0.7545473662209368
Energy: 0.8784048796070807
Energy: 0.7585570460822123
Energy: 0.6692310683209526
Energy: 0.8187323799717132
Energy: 0.6692310683304546
Energy: 0.6736911437040191
Energy: 0.6767544768800541
Energy: 0.7838202201516115
Energy: 0.676754476890348
Energy: 0.769964362056289
Energy: 0.7121601666751519
Energy: 0.833225907011235
Energy: 0.7121601666593153
Energy: 0.7810115993267795
Energy: 0.7474231981022567
Energy: 0.8309928910556247
Energy: 0.7474231981149262
Energy: 0.6849144198660094
Energy: 0.6879354591761038
Energy: 0.7724621094439572
Energy: 0.6879354591784792
Energy: 0.8059689357576648
Energy: 0.7792438782281315
Energy: 0.7610699417494096
Energy: 0.7792438782210049
Energy: 0.7875402331232655
Energy: 0.7295366843143343
Energy: 0.803416693883813
Energy: 0.7295366843103751
Energy: 0.706605638419422
Energy: 0.878666876770911
Energy: 0.7738091128021087
Energy: 0.8786668767645763
Energy: 0.7615136359079195
Energy: 0.8945935377554015
Energy: 0.7965364906196531
Energy: 0.8945935377664873
Energy: 0.8182550500208715
Energy: 0.8594688333103957
Energy: 0.7798947391806409
Energy: 0.8594688333119794
Energy: 0.78280335029181
Energy: 0.6873394293181712
Energy: 0.7794135357659865
Energy: 0.6873394293300488
Energy: 0.7746648884024961
Energy: 0.6755144531671494
Energy: 0.7238041917260974
Energy: 0.6755144531711087
Energy: 0.78892395860226
Energy: 0.7241952225765926
Energy: 0.7781197642555696
Energy: 0.7241952225979721

minimum gb energy = 0.6692310683209526 eV
minimum distance =  2.21462727657107 Angstroms
sigma value = 37


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

Energy: 0.9244013113064303
Energy: 0.8000377633127005
Energy: 0.7872813517141403
Energy: 0.8112823744670561
Energy: 0.7838014285335756
Energy: 0.9077672824119519
Energy: 0.7941457987553253
Energy: 0.9077672824133143
Energy: 0.781520604963536
Energy: 0.9116222716853914
Energy: 0.7722465349160277
Energy: 0.9116222716853914
Energy: 0.778881068763074
Energy: 0.9021749999614697
Energy: 0.7880996122274361
Energy: 0.9021749999601074
Energy: 0.8073428241226609
Energy: 0.930092782353567
Energy: 0.7019998387774965
Energy: 0.9300927823562917
Energy: 0.7737516927061105
Energy: 0.8640380293064339
Energy: 0.7834002359126536
Energy: 0.8640380293077963
Energy: 0.6869674165619183
Energy: 0.7727337278365625
Energy: 0.7849720810456794
Energy: 0.772733727833838
Energy: 0.8318206644777757
Energy: 0.7342949608152815
Energy: 0.839937755278176
Energy: 0.7342949608193685
Energy: 0.7781419898694756
Energy: 0.7533946651275946
Energy: 0.7884973921672485
Energy: 0.7533946651262322
Energy: 0.7265878508792551
Energy: 0.7279898702825884
Energy: 0.8128580939705793
Energy: 0.7279898702853129
Energy: 0.7872813517563414
Energy: 0.8000377789507215
Energy: 0.9244013113064303
Energy: 0.800037778869013
Energy: 0.7941457987512384
Energy: 0.9077672824119519
Energy: 0.8203891826106408
Energy: 0.9077672824133143
Energy: 0.77224653491739
Energy: 0.9116222716853914
Energy: 0.7815206049648984
Energy: 0.9116222716853914
Energy: 0.7880996122274361
Energy: 0.9021749999628321
Energy: 0.7788810687603491
Energy: 0.9021749999628321
Energy: 0.7019998387734097
Energy: 0.9300927823549293
Energy: 0.8073428241226609
Energy: 0.9300927823549293
Energy: 0.8226652787661527
Energy: 0.864038029310521
Energy: 0.7737516927074728
Energy: 0.8640380293091587
Energy: 0.7849720810470417
Energy: 0.7727337278365625
Energy: 0.6869674165632805
Energy: 0.7727337278406186
Energy: 0.8399377552795382
Energy: 0.7342949608193685
Energy: 0.8318206644805004
Energy: 0.7342949608193685
Energy: 0.788497392161799
Energy: 0.753394665128957
Energy: 0.7781419898694756
Energy: 0.753394665128957
Energy: 0.7842226285523819
Energy: 0.727989870281226
Energy: 0.7265878508806174
Energy: 0.727989870281226

minimum gb energy = 0.6869674165619183 eV
minimum distance =  2.23296627360024 Angstroms
sigma value = 25


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

Energy: 0.8842897093656131
Energy: 0.7539527538656546
Energy: 0.945479264944737
Energy: 0.7742727758648134
Energy: 0.8777486309714162
Energy: 0.770185074194221
Energy: 0.7572626797332318
Energy: 0.770185074194221
Energy: 0.8442716657863423
Energy: 0.7664418061628873
Energy: 0.7749464534215007
Energy: 0.7664418061628873
Energy: 0.718835232527383
Energy: 0.8168005593918879
Energy: 0.8409585729880737
Energy: 0.8168005593929516
Energy: 0.8637717082577036
Energy: 0.8852100335356518
Energy: 0.8257428083021657
Energy: 0.8852100335356518
Energy: 0.7667426977865814
Energy: 0.9328896293005994
Energy: 0.8257132280130691
Energy: 0.9328896293005994
Energy: 0.7688864190058577
Energy: 0.8950528394943918
Energy: 0.8656392520009659
Energy: 0.8950528394943918
Energy: 0.8152153386464007
Energy: 0.802048312452282
Energy: 0.7802755780194843
Energy: 0.8020483124512181
Energy: 0.7774059330699687
Energy: 0.804428256114107
Energy: 0.8730186988751515
Energy: 0.8044282561151708
Energy: 0.8069246149322777
Energy: 0.7266289992043272
Energy: 0.8789091307007844
Energy: 0.7266289992021997
Energy: 0.7606578884099765
Energy: 0.7881074388717918
Energy: 0.9418824350121937
Energy: 0.7881074388717918
Energy: 0.7365133450741913
Energy: 0.7124441087312555
Energy: 0.8795506937188525
Energy: 0.7124441087323192
Energy: 0.7616385198676371
Energy: 0.7096935738314369
Energy: 0.8556771964030075
Energy: 0.7096935738314369
Energy: 0.7684964344689423
Energy: 0.7475826328016648
Energy: 0.7963041027675376
Energy: 0.7475826328037923
Energy: 0.7529562931866773
Energy: 0.8701891261930483
Energy: 0.8773295452476703
Energy: 0.8701891261919846
Energy: 0.7784345908926563
Energy: 0.7671730748516624
Energy: 0.8431434935665435
Energy: 0.7671730748516624
Energy: 0.838311740910152
Energy: 0.8453876377943512
Energy: 0.8021890367812903
Energy: 0.8453876377943512
Energy: 0.7296841350153991
Energy: 0.8358273162919877
Energy: 0.8277376674609573
Energy: 0.8358273162951791
Energy: 0.8305979544597091
Energy: 0.8787025410384238
Energy: 0.7656351439038039
Energy: 0.8787025410405515
Energy: 0.8613806544096103
Energy: 0.9013830106587098
Energy: 0.7678338330507913
Energy: 0.9013830106587098
Energy: 0.8647156479910154
Energy: 0.7734671984415609
Energy: 0.7785815514924729
Energy: 0.7734671984415609
Energy: 0.8847020066533671
Energy: 0.8115841676762023
Energy: 0.6935960618161665
Energy: 0.8115841676751383
Energy: 0.865449135212477
Energy: 0.7543392857880967
Energy: 0.8015117026125591
Energy: 0.754339285787033
Energy: 0.7495976455605011
Energy: 0.7915745047144025
Energy: 0.7584022756715286
Energy: 0.7915745047144025
Energy: 0.8859384379157474
Energy: 0.7151146329736096
Energy: 0.7141231662472928
Energy: 0.7151146329746733
Energy: 0.8086445947134621
Energy: 0.7108463700464185
Energy: 0.7940852827124818
Energy: 0.7108463700453547

minimum gb energy = 0.6935960618161665 eV
minimum distance =  2.2358003012704 Angstroms
sigma value = 41


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

Energy: 0.8638361958142041
Energy: 0.7938564752825066
Energy: 0.9618293225450654
Energy: 0.7743358551727509
Energy: 0.9481345127958095
Energy: 0.7575205109586652
Energy: 0.7531751523946916
Energy: 0.7575205109612815
Energy: 0.8540866289907729
Energy: 0.7310357550615194
Energy: 0.755805883870181
Energy: 0.7310357550623915
Energy: 0.7813539208846646
Energy: 0.7921513060985045
Energy: 0.82131076625796
Energy: 0.7921513060993766
Energy: 0.841757041445635
Energy: 0.6918732755077426
Energy: 0.8462487748368187
Energy: 0.6918732759436146
Energy: 0.8340879853412606
Energy: 0.8339199045138271
Energy: 0.8121936415993574
Energy: 0.8339199045146993
Energy: 0.8330936546898703
Energy: 0.8127630717935186
Energy: 0.8608371900992543
Energy: 0.81276307179003
Energy: 0.8288302768133531
Energy: 0.8147578752642293
Energy: 0.8200337336149839
Energy: 0.8147578752677178
Energy: 0.7504673966735304
Energy: 0.8511290908461798
Energy: 0.9454685641835039
Energy: 0.8511290908401145
Energy: 0.7576905048714332
Energy: 0.8220197276449819
Energy: 0.8825251666318904
Energy: 0.8220197276414933
Energy: 0.770650725609338
Energy: 0.7667541596546675
Energy: 0.8346049975477743
Energy: 0.7667541596564117
Energy: 0.786816915100899
Energy: 0.7330734062347504
Energy: 0.9268551977420851
Energy: 0.7330734062347504
Energy: 0.728904281104789
Energy: 0.6856312424971118
Energy: 0.8815204799491769
Energy: 0.6856312424997283
Energy: 0.6851954695933454
Energy: 0.722540493959446
Energy: 0.7857592204966471
Energy: 0.7225404939603182
Energy: 0.6887179296125576
Energy: 0.6872667492025671
Energy: 0.9121946949797861
Energy: 0.6872667491990785
Energy: 0.7550582782284592
Energy: 0.6980534664201277
Energy: 0.8615692596593088
Energy: 0.6980534664183834
Energy: 0.7521971429435796
Energy: 0.8152817642451483
Energy: 0.7876233262418773
Energy: 0.8152817642451483
Energy: 0.7413121268931925
Energy: 0.734872889974632
Energy: 0.9155851307127989
Energy: 0.7348728899728878
Energy: 0.7741047315808889
Energy: 0.7914077113805835
Energy: 0.7800721527725787
Energy: 0.7914077113832
Energy: 0.8187382312361935
Energy: 0.7371603413967287
Energy: 0.7831681607398889
Energy: 0.7371603413976007
Energy: 0.9799658111145255
Energy: 0.9111760695738071
Energy: 0.8840152265495195
Energy: 0.9111760695738071
Energy: 0.8073510042353395
Energy: 0.9022846748161291
Energy: 0.8384463683836374
Energy: 0.9022846748152569
Energy: 0.8426552978451198
Energy: 0.8808897561783952
Energy: 0.8296489823395835
Energy: 0.8808897561775232
Energy: 0.7655858217699877
Energy: 0.8450438309803109
Energy: 0.8030035847934047
Energy: 0.8450438309785666
Energy: 0.885314535145285
Energy: 0.8832253209913319
Energy: 0.832762444507056
Energy: 0.8832253209913319
Energy: 0.8551551429742538
Energy: 0.8610659672726175
Energy: 0.8249430337652693
Energy: 0.8610659672769784
Energy: 0.8153646234989286
Energy: 0.820586329127928
Energy: 0.7391964075924192
Energy: 0.820586329127928
Energy: 0.889628810703676
Energy: 0.8036651580505655
Energy: 0.7531276935063583
Energy: 0.8036651580488213
Energy: 0.8091837595934371
Energy: 0.685288320498783
Energy: 0.7722167106409292
Energy: 0.6852883204918058
Energy: 0.810183198016877
Energy: 0.682235873210165
Energy: 0.7633924248606452
Energy: 0.6822358732119091
Energy: 0.9180903105366744
Energy: 0.6871698377775743
Energy: 0.6804132876302168
Energy: 0.6871698377740857
Energy: 0.811433715770752
Energy: 0.7647655806391788
Energy: 0.682409708757003
Energy: 0.7647655806417952

minimum gb energy = 0.6804132876302168 eV
minimum distance =  2.20641181902901 Angstroms
sigma value = 15


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

Energy: 0.812582732489322
Energy: 0.7447583250062046
Energy: 0.9188405279175248
Energy: 0.783620759787102
Energy: 0.9168437014210701
Energy: 0.7191234080840487
Energy: 0.7494509449336746
Energy: 0.719123408086937
Energy: 0.9273551682417536
Energy: 0.7329133569435108
Energy: 0.7392101216782061
Energy: 0.7329133569464662
Energy: 0.81975303740576
Energy: 0.7713680816304228
Energy: 0.8057256668090139
Energy: 0.771368081629684
Energy: 0.8937069946872823
Energy: 0.7679556755691535
Energy: 0.7920652887964457
Energy: 0.7679556755706312
Energy: 0.864248363789714
Energy: 0.824436300846258
Energy: 0.7903371775215439
Energy: 0.8244363008506909
Energy: 0.7665617084300689
Energy: 0.7702263843713056
Energy: 0.8531239370128931
Energy: 0.7702263843727831
Energy: 0.8423824406903888
Energy: 0.844684191415684
Energy: 0.7932451891095023
Energy: 0.8446841914149451
Energy: 0.8030039051262368
Energy: 0.885456384328359
Energy: 0.8561797196294249
Energy: 0.8854563843246649
Energy: 0.8007959356885578
Energy: 0.8255910385378995
Energy: 0.8849722963054238
Energy: 0.8255910385334666
Energy: 0.7836831033188375
Energy: 0.781491879737489
Energy: 0.928124754106247
Energy: 0.7814918797227125
Energy: 0.7759289918698486
Energy: 0.8041905915132516
Energy: 0.9476343097862655
Energy: 0.804190591511774
Energy: 0.8114522415347991
Energy: 0.8252128898837352
Energy: 0.8902138393824337
Energy: 0.8252128898859518
Energy: 0.7282638621080274
Energy: 0.7947341896741688
Energy: 0.8032863089841983
Energy: 0.794734189672691
Energy: 0.7383978286562866
Energy: 0.663026932006408
Energy: 0.9017622557577779
Energy: 0.663026932006408
Energy: 0.7452601461359182
Energy: 0.6691876298718876
Energy: 0.8302630749279263
Energy: 0.6691876298733653
Energy: 0.7000598217049563
Energy: 0.7345026414085707
Energy: 0.8311576911607738
Energy: 0.7345026414100483
Energy: 0.6488499079765047
Energy: 0.6757576705521658
Energy: 0.9534665053611069
Energy: 0.675757670547733
Energy: 0.7006633010428853
Energy: 0.6859670363335828
Energy: 0.8111107460384873
Energy: 0.6859670363335828
Energy: 0.8076394331083787
Energy: 0.725994425943353
Energy: 0.8640773183309234
Energy: 0.7259944259426141
Energy: 0.7369683442819868
Energy: 0.7162949539951592
Energy: 0.9379997444533388
Energy: 0.716294953995898
Energy: 0.7312923396829902
Energy: 0.8011046823910697
Energy: 0.7969682573601107
Energy: 0.8011046823881143
Energy: 0.8127494327754033
Energy: 0.7155142782750701
Energy: 0.7937785844641098
Energy: 0.7155142782780254
Energy: 0.8100733198772069
Energy: 0.8769516673696053
Energy: 0.8863766867297633
Energy: 0.8769516673688665
Energy: 0.7883862293911479
Energy: 0.8036670888032958
Energy: 0.9483133912812772
Energy: 0.8036670888062514
Energy: 0.8477482376144482
Energy: 0.804712160937946
Energy: 0.8490624748395212
Energy: 0.8047121609357294
Energy: 0.7708221880743159
Energy: 0.8181614365203532
Energy: 0.8755292534171024
Energy: 0.8181614365188756
Energy: 0.846745924126425
Energy: 0.7765942803215654
Energy: 0.8083901052609185
Energy: 0.7765942803230431
Energy: 0.8238721855434391
Energy: 0.7907309518727751
Energy: 0.8485150580832996
Energy: 0.7907309518712974
Energy: 0.8159750804672653
Energy: 0.829056984785928
Energy: 0.7854441968489243
Energy: 0.829056984785928
Energy: 0.8954123135912511
Energy: 0.8203052078156464
Energy: 0.7569043448810268
Energy: 0.8203052078156464
Energy: 0.7823692329741578
Energy: 0.7580319609696506
Energy: 0.8081037467193984
Energy: 0.7580319609681729
Energy: 0.8652265781903409
Energy: 0.7438766862984728
Energy: 0.7375831448995527
Energy: 0.7438766862925622
Energy: 0.9267121090123924
Energy: 0.6896049350657136
Energy: 0.7416135816455325
Energy: 0.6896049350649748
Energy: 0.8089197136152048
Energy: 0.7352795710062626
Energy: 0.7483805038674475
Energy: 0.7352795710047849
Energy: 0.9052141895354475
Energy: 0.6941605273619496
Energy: 0.6604035929912161
Energy: 0.6941605273567777
Energy: 0.8844115046406891
Energy: 0.6612457509593397
Energy: 0.6629568945377766
Energy: 0.661245750957862

minimum gb energy = 0.6488499079765047 eV
minimum distance =  2.23817272898468 Angstroms
sigma value = 85


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

Energy: 0.9757723223096207
Energy: 0.724673234460941
Energy: 0.667745418846857
Energy: 0.7883934416059795
Energy: 1.0212323716603404
Energy: 0.7148110018004868
Energy: 0.7436757195355386
Energy: 0.714811001799846
Energy: 0.8572823265996251
Energy: 0.7076458432926791
Energy: 0.7074341454048473
Energy: 0.7076458432913976
Energy: 0.769843768476785
Energy: 0.795563733206878
Energy: 0.8239118433466401
Energy: 0.795563733206878
Energy: 0.9473962296980791
Energy: 0.8162201118520936
Energy: 0.804233084109955
Energy: 0.8162201118527345
Energy: 0.8239747490321
Energy: 0.8687225915266272
Energy: 0.7844946786784495
Energy: 0.8687225915247049
Energy: 0.8157312983613166
Energy: 0.7868898579863692
Energy: 0.844957610382831
Energy: 0.7868898579863692
Energy: 0.9070214341913911
Energy: 0.870324391479934
Energy: 0.8069088144434304
Energy: 0.8703243914792932
Energy: 0.8459663524183965
Energy: 0.8740224764369047
Energy: 0.8277035321701013
Energy: 0.8740224764369047
Energy: 0.8378455973358343
Energy: 0.8478145822740888
Energy: 0.8461276546238085
Energy: 0.8478145822740888
Energy: 0.8249734672586365
Energy: 0.7871383147710396
Energy: 0.9525848388531927
Energy: 0.7871383147691172
Energy: 0.8265478060400955
Energy: 0.9164216384690941
Energy: 0.888778856240497
Energy: 0.9164216384678125
Energy: 0.8425829355234905
Energy: 0.9015778320989073
Energy: 0.8616887534898116
Energy: 0.901577832096985
Energy: 0.7831499447233362
Energy: 0.8622877624171026
Energy: 0.8065753308828605
Energy: 0.8622877624023646
Energy: 0.7668957205903086
Energy: 0.8320388294157668
Energy: 0.9384468897134326
Energy: 0.8320388294260195
Energy: 0.8190656119965889
Energy: 0.8671098182405819
Energy: 0.8036903544359155
Energy: 0.8671098182418636
Energy: 0.747506661349236
Energy: 0.7121244460226042
Energy: 0.799963783125706
Energy: 0.7121244460251673
Energy: 0.6955682359980311
Energy: 0.7090357060206204
Energy: 0.9424800911402531
Energy: 0.7090357060231837
Energy: 0.7340866247124466
Energy: 0.6650866864771713
Energy: 0.8714679415968299
Energy: 0.665086686477812
Energy: 0.6572252733779722
Energy: 0.6508619816869261
Energy: 0.8657202401356342
Energy: 0.6508619816882076
Energy: 0.6475260800673923
Energy: 0.6462098824123352
Energy: 1.0452482232661746
Energy: 0.6462098824136168
Energy: 0.6575190985113177
Energy: 0.6484519205951536
Energy: 0.8337064186500955
Energy: 0.6484519205957944
Energy: 0.7129649506057001
Energy: 0.7100963108933486
Energy: 0.9086383170594282
Energy: 0.7100963108939894
Energy: 0.7076807396413258
Energy: 0.6989302254092788
Energy: 0.9892982858783222
Energy: 0.6989302254112011
Energy: 0.7468090114370187
Energy: 0.7161679530628693
Energy: 0.8117280234391513
Energy: 0.7161679530622286
Energy: 0.7899522377632004
Energy: 0.8115194721771869
Energy: 0.9241751842793655
Energy: 0.8115194721778275
Energy: 0.798437189033062
Energy: 0.8092372811689453
Energy: 0.9093871402775615
Energy: 0.8092372811689453
Energy: 0.8294245579113413
Energy: 0.7938395661502717
Energy: 0.7957120647151478
Energy: 0.7938395661509124
Energy: 0.8739214033386014
Energy: 0.8102882694550034
Energy: 0.9085759376010375
Energy: 0.810288269453722
Energy: 0.824800856726476
Energy: 0.9251158655967365
Energy: 0.8423375721521705
Energy: 0.9251158655992996
Energy: 0.8675374296690632
Energy: 0.8642412661153376
Energy: 0.8195481067672749
Energy: 0.8642412661134152
Energy: 0.8345261888888917
Energy: 0.8227907918904465
Energy: 0.8645117343207434
Energy: 0.8227907918936505
Energy: 0.8961356690285449
Energy: 0.9146488295774798
Energy: 0.7849244385586656
Energy: 0.914648829576839
Energy: 0.9105850867751452
Energy: 0.8549001687757043
Energy: 0.8653177875627459
Energy: 0.854900168776345
Energy: 0.9113773599820777
Energy: 0.7799720996932479
Energy: 0.8130192411247776
Energy: 0.7799720996958108
Energy: 0.9956467590386879
Energy: 0.8578818073297159
Energy: 0.7970937651956478
Energy: 0.8578818073309974
Energy: 0.8729028134149683
Energy: 0.8665916037705306
Energy: 0.8410477498934203
Energy: 0.8665916037718122
Energy: 0.8006011600043421
Energy: 0.7468979866530884
Energy: 0.7706157710585179
Energy: 0.74689798665437
Energy: 0.9745738066648182
Energy: 0.6501699963800004
Energy: 0.7089030958454283
Energy: 0.6501699963806412
Energy: 0.872316136213242
Energy: 0.6522093820394906
Energy: 0.7331587854181287
Energy: 0.6522093820388498
Energy: 0.7739013106577571
Energy: 0.6483525203161955
Energy: 0.6550633170565765
Energy: 0.648352520314914
Energy: 0.9404732438185596
Energy: 0.6594936492666224
Energy: 0.640357720278678
Energy: 0.6594936492679039
Energy: 0.8348858174710032
Energy: 0.6529894762651707
Energy: 0.6581059876993925
Energy: 0.6529894762670929

minimum gb energy = 0.640357720278678 eV
minimum distance =  2.23668630464941 Angstroms
sigma value = 113


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

Energy: 0.019342975468944916
Energy: 0.5132688437122893
Energy: 0.6020143123409554
Energy: 0.019511861938343054
Energy: 0.4493604590898665
Energy: 0.3478005869140576
Energy: 0.44867847792736787
Energy: 0.34780058691455024
Energy: 0.42544283459536375
Energy: 0.3476129835632445
Energy: 0.45035500319448013
Energy: 0.34761298356373704
Energy: 0.01948382802805233
Energy: 0.34991539839679175
Energy: 0.44769319984867645
Energy: 0.3499153983982696
Energy: 0.4498877015907827
Energy: 0.3478648152133974
Energy: 0.5054715948121536
Energy: 0.3478648152133974
Energy: 0.02014375213933926
Energy: 0.3480003714721369
Energy: 0.45345361756103997
Energy: 0.34800037147454527

minimum gb energy = 0.019342975468944916 eV
minimum distance =  2.39629625026247 Angstroms
sigma value = 1