Model name: model_name=MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_001
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=2.863657325506211
cohesive_energy=4.29033744093271
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: 0.013216011674212266
Energy: 0.013712735199228665
Energy: 3.1947777962279926
Energy: 0.013712735199228665
Energy: 0.013712735199228665
Energy: 0.013901399475071123
Energy: 0.5578131966821899
Energy: 0.013901399475071123
Energy: 3.1947777962270205
Energy: 0.5578131966821899
Energy: 0.5576795589198198
Energy: 0.5578131966821899
Energy: 0.013712735199228665
Energy: 0.013901399475071123
Energy: 0.5578131966821899
Energy: 0.013901399475071123

minimum gb energy = 0.013216011674212266 eV
minimum distance =  2.47519485088324 Angstroms
sigma value = 1


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

Energy: 1.450314524497863
Energy: 1.238255835272901
Energy: 2.5253291259277546
Energy: 1.238255835272901
Energy: 1.4417141540784368
Energy: 0.8944268670167838
Energy: 0.939995911614046
Energy: 0.8944268670155715
Energy: 1.6634593825808714
Energy: 0.9386153956910018
Energy: 0.9167111976662488
Energy: 0.9386153956910018
Energy: 1.2542126696738425
Energy: 0.896226771571296
Energy: 0.9392088285558801
Energy: 0.8962267715725084
Energy: 1.2506723135809732
Energy: 0.8963201848279158
Energy: 1.3043992256724715
Energy: 0.8963201848279158
Energy: 1.4562568059392897
Energy: 0.9012417488360382
Energy: 0.9011618381697889
Energy: 0.9012417488360382
Energy: 1.083784041794961
Energy: 0.901491117582805
Energy: 0.9013041572884056
Energy: 0.9014911175840171
Energy: 0.8973530001465443
Energy: 0.8982767457389925
Energy: 1.2958863006897012
Energy: 0.8982767457389925
Energy: 1.0936606799520034
Energy: 0.8986966809136688
Energy: 1.256377603961074
Energy: 0.8986966809124567
Energy: 1.5083367615587655
Energy: 0.9013501639148469
Energy: 1.0909000326609333
Energy: 0.9013501639160592
Energy: 0.915104811039669
Energy: 0.9612990999057937
Energy: 1.1752115696389909
Energy: 0.9612990999045814
Energy: 0.9154689040335601
Energy: 0.9149795905863465
Energy: 1.9002427598630967
Energy: 0.9149795905875586
Energy: 1.1042758316150998
Energy: 0.9610656628298258
Energy: 1.2546226857674299
Energy: 0.9610656628298258
Energy: 0.9356048558644421
Energy: 0.96240338494813
Energy: 1.2537549070961507
Energy: 0.9624033849469178
Energy: 0.9357202462934365
Energy: 0.8990726117624779
Energy: 1.4440486188892068
Energy: 0.8990726117612656
Energy: 0.9356695152981526
Energy: 0.8991595002204001
Energy: 1.4443029529139855
Energy: 0.8991595002191878
Energy: 0.9368121618193138
Energy: 0.9626977507742304
Energy: 1.2536635994902283
Energy: 0.9626977507742304
Energy: 1.1043291080129969
Energy: 0.9610965077270759
Energy: 1.2536167970809842
Energy: 0.9610965077246515
Energy: 0.9189028590782989
Energy: 0.9149270253594197
Energy: 1.9567725485652683
Energy: 0.9149270253606319
Energy: 0.9151200157563377
Energy: 0.9611760522148655
Energy: 1.087825220110758
Energy: 0.9611760522136532
Energy: 1.5070458812227787
Energy: 0.9016952315896339
Energy: 1.0905903950270748
Energy: 0.9016952315884218
Energy: 1.09286439010148
Energy: 0.8964700956730741
Energy: 1.2562654618494575
Energy: 0.8964700956742864
Energy: 0.9963688320645103
Energy: 0.8983971113744382
Energy: 1.098163489024586
Energy: 0.8983971113756505
Energy: 1.271256483955726
Energy: 0.9014063566824599
Energy: 0.9012989406274033
Energy: 0.9014063566836721
Energy: 1.4560080831710995
Energy: 0.901276827008234
Energy: 0.9011196233433412
Energy: 0.9012768270058096
Energy: 1.250608343870558
Energy: 0.8966984285911782
Energy: 1.304429287926264
Energy: 0.8966984285923904
Energy: 1.2515321464469111
Energy: 0.8963915664829738
Energy: 0.9388549711038534
Energy: 0.8963915664829738
Energy: 1.6640924801476675
Energy: 0.9386115017342991
Energy: 0.9172136205609618
Energy: 0.9386115017355112
Energy: 1.4420121340344545
Energy: 0.8943742960150316
Energy: 0.9399020167303398
Energy: 0.8943742960162437
Energy: 1.2650038603390095
Energy: 0.9003313670371447
Energy: 0.9385757936635665
Energy: 0.9003313670371447
Energy: 1.443192341894484
Energy: 0.8942025203697191
Energy: 0.9385197668274952
Energy: 0.8942025203697191
Energy: 1.4553783432767835
Energy: 0.9128958017083488
Energy: 0.917201110252676
Energy: 0.9128958017083488
Energy: 1.2506309561613262
Energy: 0.8964722653118415
Energy: 0.9799510834490253
Energy: 0.8964722653106293

minimum gb energy = 0.8942025203697191 eV
minimum distance =  2.34167722427916 Angstroms
sigma value = 1


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

Energy: 1.5831289039578815
Energy: 1.5054411793683786
Energy: 2.5967859743344643
Energy: 1.5054411793683786
Energy: 1.3242934348010515
Energy: 0.925140706087379
Energy: 1.031725892404376
Energy: 0.925140706087379
Energy: 1.3512768982873085
Energy: 0.968285892200881
Energy: 0.9683285842028821
Energy: 0.968285892199499
Energy: 0.922985286056701
Energy: 0.9476471514585213
Energy: 1.0273202203374134
Energy: 0.9476471514585213
Energy: 0.9229892558673982
Energy: 0.9494557879517125
Energy: 1.4353357081898077
Energy: 0.9494557879517125
Energy: 1.3512250545044249
Energy: 0.947256822796211
Energy: 0.9473660499458058
Energy: 0.947256822796211
Energy: 0.9705330360538785
Energy: 0.995827562864285
Energy: 0.9473670570670114
Energy: 0.9958275628629027
Energy: 0.9474603947962631
Energy: 0.9470658660668922
Energy: 1.4351620164136203
Energy: 0.9470658660668922
Energy: 0.9687113122333173
Energy: 0.923179222371383
Energy: 1.3538075812317196
Energy: 0.923179222371383
Energy: 1.0275408328614573
Energy: 0.9225349936118477
Energy: 0.9230647787967546
Energy: 0.9225349936118477
Energy: 0.9485072697125074
Energy: 1.113306243350659
Energy: 1.3547268037241398
Energy: 1.113306243350659
Energy: 0.9479600009600522
Energy: 0.9475432673590907
Energy: 1.8172816264046165
Energy: 0.9475432673590907
Energy: 1.0273570842091402
Energy: 0.9235021350515299
Energy: 1.32254678604208
Energy: 0.9235021350501477
Energy: 1.027357084207758
Energy: 0.9235510043426803
Energy: 1.3225160656553205
Energy: 0.9235510043426803
Energy: 0.9481113338980235
Energy: 0.947578139292844
Energy: 1.8160909907106748
Energy: 0.947578139292844
Energy: 0.9486450896603924
Energy: 1.113293085435065
Energy: 1.3544245566683308
Energy: 1.113293085435065
Energy: 1.0275408328614573
Energy: 0.9225155831589542
Energy: 0.923071538511409
Energy: 0.9225155831589542
Energy: 0.9688179792255344
Energy: 0.9231564693716366
Energy: 1.35376262508031
Energy: 0.9231564693716366
Energy: 0.9474658011568879
Energy: 0.9470540205227693
Energy: 1.4351620164122383
Energy: 0.9470540205227693
Energy: 0.9706109985126128
Energy: 0.9959235419740187
Energy: 0.9473594163492625
Energy: 0.9959235419740187
Energy: 1.3512284705974047
Energy: 0.9472462239811094
Energy: 0.9473620338324086
Energy: 0.9472462239811094
Energy: 0.9229936386530374
Energy: 0.9485307743078762
Energy: 1.4353357081870437
Energy: 0.9485307743064941
Energy: 0.9230358052361886
Energy: 0.9474755857538902
Energy: 1.0273202203387954
Energy: 0.9474755857538902
Energy: 1.3513753527241597
Energy: 0.9682600027645897
Energy: 0.968304074325067
Energy: 0.9682600027645897
Energy: 1.3243008722281517
Energy: 0.9250817082058833
Energy: 1.031725892404376
Energy: 0.9250817082058833
Energy: 1.5831289039578815
Energy: 1.5054411793683786
Energy: 2.5967859743358463
Energy: 1.5054411793683786
Energy: 1.3242934348010515
Energy: 0.925140706087379
Energy: 1.031725892404376
Energy: 0.925140706087379
Energy: 1.3512768982873085
Energy: 0.968285892199499
Energy: 0.9683285842028821
Energy: 0.968285892200881
Energy: 0.922985286056701
Energy: 0.9476471514585213
Energy: 1.0273202203374134
Energy: 0.9476471514599034

minimum gb energy = 0.9225155831589542 eV
minimum distance =  2.3330566998509 Angstroms
sigma value = 25


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

Energy: 1.3588949013764575
Energy: 1.1140038927327862
Energy: 2.550984827872193
Energy: 1.1140038927327862
Energy: 1.445398100137507
Energy: 0.9979675536031002
Energy: 1.0735191515933211
Energy: 0.9979675536031002
Energy: 1.4620172066851882
Energy: 1.0266671541451986
Energy: 1.0344925991304315
Energy: 1.0266671541468055
Energy: 1.256822798245901
Energy: 0.9911862436248127
Energy: 1.0734202287890215
Energy: 0.9911862436264194
Energy: 1.2558156388208763
Energy: 0.9909266852355033
Energy: 1.2652999413487127
Energy: 0.9909266852355033
Energy: 1.4602854669460343
Energy: 0.997303803237233
Energy: 0.9974156002632023
Energy: 0.997303803237233
Energy: 1.0250662090858251
Energy: 0.990778194039126
Energy: 0.9974413510207916
Energy: 0.990778194039126
Energy: 1.0003340279198292
Energy: 1.0241150601920035
Energy: 1.5386096005945658
Energy: 1.0241150601920035
Energy: 1.0751704030802742
Energy: 1.0792100117765697
Energy: 1.2476126103100265
Energy: 1.0792100117765697
Energy: 1.0693631308228717
Energy: 0.9851862422776284
Energy: 1.247234366005892
Energy: 0.9851862422776284
Energy: 1.088924428875894
Energy: 0.990745263080363
Energy: 1.449368477650091
Energy: 0.990745263080363
Energy: 1.0557368120512598
Energy: 1.024637586628913
Energy: 1.4485130981177294
Energy: 1.0246375866305195
Energy: 1.088827922212056
Energy: 0.9852065365879326
Energy: 1.2475172194459878
Energy: 0.9852065365879326
Energy: 1.0758721515737903
Energy: 1.0794535987490264
Energy: 1.2475550918066898
Energy: 1.0794535987490264
Energy: 1.0244756790583038
Energy: 1.0240266460009264
Energy: 1.8050952640176083
Energy: 1.0240266460009264
Energy: 1.0245417459124495
Energy: 0.9907306342154851
Energy: 0.9974234337534689
Energy: 0.9907306342154851
Energy: 1.781982123170828
Energy: 0.997243753938187
Energy: 0.9974346676323196
Energy: 0.997243753938187
Energy: 1.2557434584209717
Energy: 0.9907048343440381
Energy: 1.26560797460033
Energy: 0.9907048343440381
Energy: 1.255634938889651
Energy: 0.9909778910459743
Energy: 1.0734805456592886
Energy: 0.9909778910459743
Energy: 1.2362082485116443
Energy: 0.9975859763179381
Energy: 1.0272891591013775
Energy: 0.9975859763179381
Energy: 1.44739161599643
Energy: 0.9981986549576608
Energy: 1.0348841925490198
Energy: 0.9981986549576608
Energy: 1.2588873844348856
Energy: 0.9851545500993251
Energy: 1.073417372974824
Energy: 0.9851545500993251
Energy: 1.44741805966408
Energy: 1.0723027369943978
Energy: 1.073227542244816
Energy: 1.0723027369943978
Energy: 1.6120004575803317
Energy: 1.0340761570697181
Energy: 1.0344688821262031
Energy: 1.0340761570697181
Energy: 1.256136594834726
Energy: 0.9908258539437959
Energy: 1.018126953908606
Energy: 0.9908258539437959

minimum gb energy = 0.9851545500993251 eV
minimum distance =  2.34538669818974 Angstroms
sigma value = 9


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

Energy: 1.0055999654594745
Energy: 1.0035956269789492
Energy: 2.6722441766254765
Energy: 1.003595626978753
Energy: 1.0055607629686811
Energy: 1.04700479519725
Energy: 1.0474138206111576
Energy: 1.04700479519725
Energy: 1.096795620344614
Energy: 1.0968592037476368
Energy: 1.0970422080577962
Energy: 1.0968592037474405
Energy: 1.0464953238979737
Energy: 1.0468959674859077
Energy: 1.04782777127565
Energy: 1.0468959674857117
Energy: 1.0475805051040545
Energy: 1.0472809206658413
Energy: 1.0967748518755795
Energy: 1.0472809206656455
Energy: 1.7951525329141955
Energy: 1.0472772625933855
Energy: 1.0465755936528556
Energy: 1.0472772625931894
Energy: 1.0484265988696033
Energy: 1.0470547896641258
Energy: 1.0475631376821566
Energy: 1.0470547896650841
Energy: 1.0475070747496054
Energy: 1.0480521928644415
Energy: 1.591344036519901
Energy: 1.0480521928646378
Energy: 1.2371621613907542
Energy: 1.0474420614140167
Energy: 1.0053111358677782
Energy: 1.047442061414387
Energy: 1.2377668053471593
Energy: 1.0046078159645475
Energy: 1.005388424543025
Energy: 1.0046078159645475
Energy: 1.0476367841373273
Energy: 1.1449688922190215
Energy: 1.5918283134277535
Energy: 1.1449688922190215
Energy: 1.134329888151599
Energy: 1.0045036301384034
Energy: 1.0967857549546867
Energy: 1.0045036301384034
Energy: 1.2370879309099674
Energy: 1.0465945151236913
Energy: 1.0467005043568374
Energy: 1.0465945151234952
Energy: 1.0968158734016142
Energy: 1.0995566050864292
Energy: 1.0967551633293806
Energy: 1.0995566050866032
Energy: 1.0467065901345396
Energy: 1.046620457006097
Energy: 1.2370879309099674
Energy: 1.046620457005901
Energy: 1.0967924985262738
Energy: 1.004718365726844
Energy: 1.1343060024348084
Energy: 1.0047183657264738
Energy: 1.5917820506347655
Energy: 1.1449536531345805
Energy: 1.0477075849384518
Energy: 1.1449536531345805
Energy: 1.0053677379607358
Energy: 1.0045792479654125
Energy: 1.2377668053477255
Energy: 1.0045792479654125
Energy: 1.005313414747119
Energy: 1.0474362224808293
Energy: 1.2371621613907542
Energy: 1.0474362224808293
Energy: 1.5913198163728968
Energy: 1.0479778576683176
Energy: 1.0474876361486658
Energy: 1.0479778576683176
Energy: 1.0475296168069856
Energy: 1.047313601990888
Energy: 1.0482716204411124
Energy: 1.0473136019905176

minimum gb energy = 1.003595626978753 eV
minimum distance =  2.32236327953182 Angstroms
sigma value = 25


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

Energy: 1.153792124216776
Energy: 1.1037992952183426
Energy: 2.489918899280292
Energy: 1.103799295218585
Energy: 1.4287949365267822
Energy: 1.1989441084615344
Energy: 1.16161903343599
Energy: 1.1989441084615344
Energy: 1.2856166543521077
Energy: 1.1502258141354766
Energy: 1.162166629779981
Energy: 1.1502258141354766
Energy: 1.1117274440782068
Energy: 1.1936115905834959
Energy: 1.1315386709522648
Energy: 1.1936115905827955
Energy: 1.1954667418374059
Energy: 1.1984849666091204
Energy: 1.4705315932455987
Energy: 1.1984849666091204
Energy: 1.5381767503851649
Energy: 1.1476766842086787
Energy: 1.1480611743462565
Energy: 1.147676684208194
Energy: 1.2447927006796993
Energy: 1.1946139272115683
Energy: 1.1481205169517459
Energy: 1.194613927211353
Energy: 1.194859856531766
Energy: 1.2235472337434117
Energy: 1.4714929642599384
Energy: 1.2235472337429538
Energy: 1.223616073785546
Energy: 1.1478174080741235
Energy: 1.1480945308836208
Energy: 1.1478174080739079
Energy: 1.2717269485111662
Energy: 1.1481731434484566
Energy: 1.1481993139482436
Energy: 1.1481731434477562
Energy: 1.1931813070701078
Energy: 1.1937533272109535
Energy: 1.5020668900076355
Energy: 1.1937533272111958
Energy: 1.1931218608163536
Energy: 1.1485912159812848
Energy: 1.1324535068954422
Energy: 1.1485912159812848
Energy: 1.415317466914185
Energy: 1.1500405912715355
Energy: 1.1514869695413277
Energy: 1.1500405912719933
Energy: 1.445614028181586
Energy: 1.1985345298084353
Energy: 1.290761786056543
Energy: 1.1985345298084353
Energy: 1.3131814079497022
Energy: 1.0891697613754132
Energy: 1.290305124373916
Energy: 1.0891697613754132
Energy: 1.428619966127638
Energy: 1.1384413873502213
Energy: 1.1315799125965205
Energy: 1.1384413873504635
Energy: 1.1942039096927055
Energy: 1.1483131249457275
Energy: 1.1510297069501918
Energy: 1.1483131249454852

minimum gb energy = 1.0891697613754132 eV
minimum distance =  2.3028815109216 Angstroms
sigma value = 17


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

Energy: 1.5732893230595977
Energy: 1.5145362377140652
Energy: 2.370977686601265
Energy: 1.5145362377127227
Energy: 1.3729190039780448
Energy: 1.227843383442601
Energy: 1.2689271447506865
Energy: 1.227843383442601
Energy: 1.3840926909987818
Energy: 1.2161471297950024
Energy: 1.1935215457406296
Energy: 1.2161471297963449
Energy: 1.1898859687108005
Energy: 1.1879414606494607
Energy: 1.2370168983229821
Energy: 1.1879414606494607
Energy: 1.2241919246503625
Energy: 1.2279605883894975
Energy: 1.4187795862261467
Energy: 1.2279605883894975
Energy: 1.414539135023423
Energy: 1.1669645137020963
Energy: 1.2153635384565993
Energy: 1.1669645137020963
Energy: 1.3103518248961652
Energy: 1.189266910183498
Energy: 1.3764393046403502
Energy: 1.189266910183498
Energy: 1.218553400801896
Energy: 1.187378495350315
Energy: 1.46480254916917
Energy: 1.187378495350315
Energy: 1.200078556362913
Energy: 1.2342677472951114
Energy: 1.1729509648889285
Energy: 1.2342677472964234
Energy: 1.431784220951593
Energy: 1.1696810743131367
Energy: 1.2356861708605615
Energy: 1.169681074311794
Energy: 1.2171928613480967
Energy: 1.2169047890663192
Energy: 1.4352191943666959
Energy: 1.2169047890663192
Energy: 1.2166752003976258
Energy: 1.2347453211371004
Energy: 1.2615939248181902
Energy: 1.2347453211371004
Energy: 1.394820359942908
Energy: 1.2449461973527653
Energy: 1.2634191198537197
Energy: 1.2449461973514229
Energy: 1.2162360725326617
Energy: 1.2169873414333252
Energy: 1.2471466918230327
Energy: 1.2169873414319827
Energy: 1.2172968062114105
Energy: 1.1839492842047123
Energy: 1.445878451835095
Energy: 1.1839492842047123
Energy: 1.4412155027024416
Energy: 1.2343825134420345
Energy: 1.1736849488572079
Energy: 1.234382513443377
Energy: 1.220293820488266
Energy: 1.2722318946176714
Energy: 1.234382554817734
Energy: 1.2722318946190139
Energy: 1.200276833787808
Energy: 1.257434416201726
Energy: 1.394324420417039
Energy: 1.2574344162030684
Energy: 1.2987717098109488
Energy: 1.1680329728156422
Energy: 1.365995704310854
Energy: 1.1680329728156422
Energy: 1.4101463067051414
Energy: 1.16823944908248
Energy: 1.366100689117571
Energy: 1.1682394490838224
Energy: 1.186983435530857
Energy: 1.2655006502790127
Energy: 1.4367783507653655
Energy: 1.2655006502790127
Energy: 1.1870044978012513
Energy: 1.2777654997994956
Energy: 1.2155176233246785
Energy: 1.2777654997994956
Energy: 1.403830906960642
Energy: 1.2159612081825322
Energy: 1.1976813101225952
Energy: 1.2159612081825322
Energy: 1.3642673099983098
Energy: 1.174206381177242
Energy: 1.31186474755784
Energy: 1.174206381177242
Energy: 1.3643804549898286
Energy: 1.1730974297994927
Energy: 1.3802803121346048
Energy: 1.1730974297994927
Energy: 1.4116296933083503
Energy: 1.2143345965561014
Energy: 1.2156526170158533
Energy: 1.2143345965561014
Energy: 1.1829904801671454
Energy: 1.2346540056139634
Energy: 1.1976171730701228
Energy: 1.2346540056139634
Energy: 1.1875225997479977
Energy: 1.187735233618996
Energy: 1.442834617647228
Energy: 1.187735233618996
Energy: 1.3771812099538114
Energy: 1.1677969370914365
Energy: 1.3676488880149595
Energy: 1.1677969370927788
Energy: 1.2615405466611826
Energy: 1.1673726468999395
Energy: 1.2136618301434647
Energy: 1.1673726468999395

minimum gb energy = 1.1669645137020963 eV
minimum distance =  2.30743642252945 Angstroms
sigma value = 53


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

Energy: 1.198631342689948
Energy: 1.2033657991138529
Energy: 2.515871666265854
Energy: 1.2033657991138529
Energy: 1.278144660328424
Energy: 1.2007418210279062
Energy: 1.198538694205603
Energy: 1.2007418210282224
Energy: 1.6535708327548762
Energy: 1.2974006712814579
Energy: 1.3054615233349265
Energy: 1.2974006712814579
Energy: 1.305448451686824
Energy: 1.2973739349249993
Energy: 1.653215929360604
Energy: 1.2973739349249993
Energy: 1.1985627327843897
Energy: 1.2006931439329973
Energy: 1.2781433896124175
Energy: 1.2006931439333133
Energy: 2.5158716662673988
Energy: 1.2033657991141689
Energy: 1.198631342690229
Energy: 1.2033657991138529
Energy: 1.1985386942059193
Energy: 1.2007418210282224
Energy: 1.278144660328705
Energy: 1.2007418210282224
Energy: 1.3054615233352427
Energy: 1.2974006712814579
Energy: 1.6535708327548762
Energy: 1.2974006712814579
Energy: 1.6532159293627813
Energy: 1.2973739349253155
Energy: 1.305448451686824
Energy: 1.2973739349249993
Energy: 1.2781433896121017
Energy: 1.2006931439336295
Energy: 1.1985627327843897
Energy: 1.2006931439336295
Energy: 1.198631342690229
Energy: 1.2033657991141689
Energy: 2.515871666266802
Energy: 1.2033657991141689
Energy: 1.278144660328424
Energy: 1.2007418210279062
Energy: 1.198538694205603
Energy: 1.2007418210279062
Energy: 1.653570832754279
Energy: 1.2974006712811417
Energy: 1.3054615233349265
Energy: 1.2974006712814579

minimum gb energy = 1.198538694205603 eV
minimum distance =  2.31246472013201 Angstroms
sigma value = 9


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

Energy: 1.401761546422287
Energy: 1.2912259449104575
Energy: 2.2607758687243344
Energy: 1.2912259449093137
Energy: 1.552800101104046
Energy: 1.2810255176442775
Energy: 1.3924416701625273
Energy: 1.2810255176431338
Energy: 1.3265551307881411
Energy: 1.2561068759593315
Energy: 1.2556770861133044
Energy: 1.2561068759604752
Energy: 1.2643769268592047
Energy: 1.279453730175754
Energy: 1.3684586808010837
Energy: 1.279453730175754
Energy: 1.3188235790934133
Energy: 1.2429279223914682
Energy: 1.557214417434703
Energy: 1.2429279223903245
Energy: 1.5214644173660297
Energy: 1.3503886899230386
Energy: 1.3996125767587062
Energy: 1.3503886899230386
Energy: 1.381382575758014
Energy: 1.329597743446331
Energy: 1.5790115258458854
Energy: 1.329597743445187
Energy: 1.2422785390819788
Energy: 1.290433330709667
Energy: 1.3280197923694423
Energy: 1.290433330709667
Energy: 1.3345276872337886
Energy: 1.2568570780053192
Energy: 1.2888324768762636
Energy: 1.256857078006463
Energy: 1.4059213473087873
Energy: 1.2566245973634007
Energy: 1.3499097703592762
Energy: 1.256624597362257
Energy: 1.2695236744999432
Energy: 1.3590802068216548
Energy: 1.5490505770895975
Energy: 1.3590802068239425
Energy: 1.5958743985112793
Energy: 1.2923987950311497
Energy: 1.330022566747043
Energy: 1.2923987950322935
Energy: 1.3149048649519486
Energy: 1.2741908577232797
Energy: 1.2750125546884905
Energy: 1.2741908577232797
Energy: 1.3170251018934533
Energy: 1.2804577373786037
Energy: 1.4242117705312825
Energy: 1.2804577373774597
Energy: 1.3217064077557632
Energy: 1.2903997667847598
Energy: 1.2737138754246113
Energy: 1.2903997667847598
Energy: 1.5531103480341262
Energy: 1.273969862801993
Energy: 1.277182887800898
Energy: 1.273969862801993
Energy: 1.438957331130887
Energy: 1.2741006104625558
Energy: 1.61795673240553
Energy: 1.2741006104625558
Energy: 1.2730168505006534
Energy: 1.3582480880915209
Energy: 1.3455522152977653
Energy: 1.3582480880926648
Energy: 1.5878659957934018
Energy: 1.3609330145075151
Energy: 1.3095689705469493
Energy: 1.3609330145075151
Energy: 1.2891726511381107
Energy: 1.273928821012772
Energy: 1.2914036484042288
Energy: 1.2739288210139157
Energy: 1.241829266782136
Energy: 1.2899508962041988
Energy: 1.3117458574203509
Energy: 1.2899508962041988
Energy: 1.5306210445744257
Energy: 1.2426169423856595
Energy: 1.3974876363129454
Energy: 1.2426169423845155
Energy: 1.415991522819311
Energy: 1.3471470613670533
Energy: 1.3978006047969016
Energy: 1.3471470613670533
Energy: 1.3388282400694338
Energy: 1.3588279061416555
Energy: 1.4823514813529621
Energy: 1.3588279061416555
Energy: 1.2629784329238416
Energy: 1.2900506064150243
Energy: 1.2555650638660447
Energy: 1.2900506064161683
Energy: 1.4943981509922255
Energy: 1.3162492321395607
Energy: 1.255853582776915
Energy: 1.316249232138417
Energy: 1.579469508895692
Energy: 1.2386848218137294
Energy: 1.5632771029536252
Energy: 1.2386848218148734
Energy: 1.4012070228701956
Energy: 1.2388304326490032
Energy: 1.562429450396135
Energy: 1.2388304326490032
Energy: 1.4784035548161683
Energy: 1.3166554950221043
Energy: 1.302954285160309
Energy: 1.3166554950209604
Energy: 1.2628773348403832
Energy: 1.2899119748901997
Energy: 1.2554542601801053
Energy: 1.2899119748901997
Energy: 1.314867882366969
Energy: 1.3563907217973583
Energy: 1.479365821617301
Energy: 1.3563907217973583
Energy: 1.4161488684589156
Energy: 1.2426317536078157
Energy: 1.4002534680923442
Energy: 1.2426317536066718
Energy: 1.6240229503098818
Energy: 1.2424488823004725
Energy: 1.4035779542470193
Energy: 1.2424488822993287
Energy: 1.2421737549633258
Energy: 1.2902320265152598
Energy: 1.5706208267748791
Energy: 1.2902320265141158
Energy: 1.264569870772598
Energy: 1.2736937290365253
Energy: 1.2842904840807075
Energy: 1.2736937290365253

minimum gb energy = 1.2386848218137294 eV
minimum distance =  2.27087172878444 Angstroms
sigma value = 73


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

Energy: 1.4523378031351037
Energy: 1.3580239749415568
Energy: 2.3222756303673107
Energy: 1.3580239749415568
Energy: 1.472011114858302
Energy: 1.2995385013885605
Energy: 1.4053931069402015
Energy: 1.299538501388375
Energy: 1.3513554658758355
Energy: 1.3209204226138673
Energy: 1.2303072836332232
Energy: 1.3209204226140532
Energy: 1.2777379306246828
Energy: 1.2624985743294026
Energy: 1.318780687807314
Energy: 1.2624985743297739
Energy: 1.4298946758712565
Energy: 1.2624700585900988
Energy: 1.4637776421398312
Energy: 1.2624700585902842
Energy: 1.6703121986969887
Energy: 1.3798537598899585
Energy: 1.2464032419712674
Energy: 1.3798537598905152
Energy: 1.3182538542427082
Energy: 1.304185718998533
Energy: 1.5055341452010202
Energy: 1.3041857189988837
Energy: 1.2637650731947765
Energy: 1.2627792866137624
Energy: 1.3617383307703215
Energy: 1.2627792866137624
Energy: 1.530895463941577
Energy: 1.3208703397190065
Energy: 1.3536218052125515
Energy: 1.3208703397180988
Energy: 1.2625739829003928
Energy: 1.3209646258302763
Energy: 1.354560963130683
Energy: 1.3209646258304413
Energy: 1.262412250474632
Energy: 1.2628877758570205
Energy: 1.64591731919709
Energy: 1.2628877758570205
Energy: 1.5648050383176146
Energy: 1.2626070512863634
Energy: 1.4822159747035006
Energy: 1.2626070512856418
Energy: 1.4277501881345376
Energy: 1.2623919140139281
Energy: 1.2445527330214368
Energy: 1.262391914013371
Energy: 1.3155308911146761
Energy: 1.4237224785949245
Energy: 1.5254526118483887
Energy: 1.4237224785951101
Energy: 1.2776270786079784
Energy: 1.2623096856878198
Energy: 1.3200718123552067
Energy: 1.2623096856876344
Energy: 1.4100876868209529
Energy: 1.3209665547538503
Energy: 1.230611952180977
Energy: 1.320966554754036
Energy: 1.4369572615030985
Energy: 1.244461610272172
Energy: 1.6530750381053636
Energy: 1.2444616102725434
Energy: 1.4368909345179801
Energy: 1.2447995917926291
Energy: 1.6507545905541208
Energy: 1.2447995917928147
Energy: 1.5963238065813294
Energy: 1.3211256145880894
Energy: 1.3195092592918298
Energy: 1.3211256145875325
Energy: 1.2772967394759778
Energy: 1.2626160822643653
Energy: 1.2303925476558615
Energy: 1.2626160822643653
Energy: 1.352119277115019
Energy: 1.386028960123731
Energy: 1.5278615440780379
Energy: 1.3860289601228235
Energy: 1.4277137894609644
Energy: 1.262579329064964
Energy: 1.2446438531922575
Energy: 1.2625793290644072

minimum gb energy = 1.2303072836332232 eV
minimum distance =  2.26916014863289 Angstroms
sigma value = 7


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

Energy: 1.5848642283090575
Energy: 1.3867013740558363
Energy: 2.312369923110892
Energy: 1.3867013740558363
Energy: 1.5198055851443601
Energy: 1.3080136224882561
Energy: 1.3171060329486939
Energy: 1.3080136224882561
Energy: 1.2995752557378617
Energy: 1.2843912507955442
Energy: 1.2839939952523742
Energy: 1.2843912507942608
Energy: 1.3047327363411474
Energy: 1.2374942002278626
Energy: 1.2847050049230972
Energy: 1.2374942002278626
Energy: 1.3944994187205644
Energy: 1.2844037187367463
Energy: 1.2368208578999416
Energy: 1.2844037187367463
Energy: 1.8130777812233951
Energy: 1.237388224569107
Energy: 1.2385773683765722
Energy: 1.237388224569107
Energy: 1.2749261827796394
Energy: 1.315733969635013
Energy: 1.5864944101970857
Energy: 1.315733969635013
Energy: 1.2384782395863567
Energy: 1.2383779028502584
Energy: 1.3868173873941452
Energy: 1.2383779028502584
Energy: 1.6232978700330107
Energy: 1.2843321838085269
Energy: 1.3181872892209374
Energy: 1.2843321838085269
Energy: 1.282957869958704
Energy: 1.237847243347021
Energy: 1.3052259879482622
Energy: 1.237847243347021
Energy: 1.2830568871514059
Energy: 1.2847795725872226
Energy: 1.3846812298924502
Energy: 1.2847795725872226
Energy: 1.7254297299717578
Energy: 1.237545484486851
Energy: 1.4990746787009326
Energy: 1.2375454844881342
Energy: 1.7221232958420036
Energy: 1.2378349558343245
Energy: 1.5034394528374333
Energy: 1.2378349558343245
Energy: 1.2847564233551205
Energy: 1.2851107883867672
Energy: 1.652053635382159
Energy: 1.2851107883854838
Energy: 1.2832985124258323
Energy: 1.2382444664737964
Energy: 1.2992885444896396
Energy: 1.2382444664737964
Energy: 1.6221454693365691
Energy: 1.385589934737211
Energy: 1.3157133175114994
Energy: 1.385589934737211
Energy: 1.2365263785310958
Energy: 1.2374881267006437
Energy: 1.3869941949074123
Energy: 1.2374881267006437
Energy: 1.2370460133632482
Energy: 1.2847217999769838
Energy: 1.6135143289196971
Energy: 1.284721799978267
Energy: 1.8300027337798621
Energy: 1.2374997551259894
Energy: 1.2366076572450784
Energy: 1.2374997551259894
Energy: 1.387852485505226
Energy: 1.2841906673997512
Energy: 1.2367196271268273
Energy: 1.284190667398468
Energy: 1.2994231899240838
Energy: 1.3156052096314517
Energy: 1.403559606964498
Energy: 1.3156052096314517
Energy: 1.2993311980607667
Energy: 1.2850961629281896
Energy: 1.2885035578367443
Energy: 1.2850961629281896
Energy: 1.5193941606659231
Energy: 1.3107516291878307
Energy: 1.31696253073117
Energy: 1.3107516291878307
Energy: 1.5009573225802872
Energy: 1.2380933613346263
Energy: 1.721137987895415
Energy: 1.2380933613346263
Energy: 1.5038338871401806
Energy: 1.2381877594348218
Energy: 1.3017826538021215
Energy: 1.2381877594348218
Energy: 1.3846472312997378
Energy: 1.285917175094102
Energy: 1.2882632295711998
Energy: 1.2859171750928187
Energy: 1.3010555265331245
Energy: 1.2377272657580032
Energy: 1.2842494545592518
Energy: 1.2377272657580032
Energy: 1.3952165189848322
Energy: 1.2838574675038663
Energy: 1.5586633520801196
Energy: 1.2838574675038663
Energy: 1.3868158150895569
Energy: 1.2371704458963555
Energy: 1.236671082273281
Energy: 1.237170445897639
Energy: 1.592059467698526
Energy: 1.3331010136498784
Energy: 1.5920577818916133
Energy: 1.3331010136485952
Energy: 1.2366729670231957
Energy: 1.2371535834801508
Energy: 1.3868158150882735
Energy: 1.2371535834801508

minimum gb energy = 1.2365263785310958 eV
minimum distance =  2.28760907266431 Angstroms
sigma value = 29


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

Energy: 1.1107923317094663
Energy: 1.2001793563954015
Energy: 2.3894816900254443
Energy: 1.2001793563954015
Energy: 1.5791254948443396
Energy: 1.1912641359181277
Energy: 1.1979915309116962
Energy: 1.1912641359185747
Energy: 1.4474741191836964
Energy: 1.1666906982393035
Energy: 1.1678814991032083
Energy: 1.1666906982393035
Energy: 1.6278397848068504
Energy: 1.2002531849096936
Energy: 1.1669952260099745
Energy: 1.200253184910116
Energy: 1.6615848887767048
Energy: 1.1666976510528502
Energy: 1.1669824453702284
Energy: 1.1666976510524034
Energy: 1.4472218327990112
Energy: 1.1680964294633833
Energy: 1.1666589811152444
Energy: 1.1680964294629366
Energy: 1.5790294683022323
Energy: 1.1665383147323058
Energy: 1.8317007169910402
Energy: 1.1665383147318586
Energy: 1.1086938071823527
Energy: 1.168154357740666
Energy: 1.8339926607185584
Energy: 1.1681543577411129
Energy: 1.6152579784284904
Energy: 1.1984571033895721
Energy: 1.1984372813648445
Energy: 1.1984571033887028

minimum gb energy = 1.1086938071823527 eV
minimum distance =  2.33777795752264 Angstroms
sigma value = 5


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

Energy: 1.3641510226539686
Energy: 1.2387689308915784
Energy: 2.1163425421070188
Energy: 1.2387689308915784
Energy: 1.3550724952461253
Energy: 1.2128813314460025
Energy: 1.320052947924414
Energy: 1.2128813314472149
Energy: 1.2745351577746074
Energy: 1.2675216005809975
Energy: 1.2669230504800715
Energy: 1.2675216005797851
Energy: 1.2745554694202914
Energy: 1.276483880420336
Energy: 1.3446797619400295
Energy: 1.2764838804215484
Energy: 1.2062693882523996
Energy: 1.2665677752535205
Energy: 1.2389053352461026
Energy: 1.2665677752535205
Energy: 1.3398315227989739
Energy: 1.296071932648512
Energy: 1.2363029232854974
Energy: 1.296071932648512
Energy: 1.3430112628242195
Energy: 1.2505108352797172
Energy: 1.3926644291046306
Energy: 1.2505108352785053
Energy: 1.3453530946745598
Energy: 1.249969092922721
Energy: 1.5182483908261986
Energy: 1.249969092923933
Energy: 1.5426702750403618
Energy: 1.2298342805374203
Energy: 1.3352157216552538
Energy: 1.2298342805362081
Energy: 1.5457162186159354
Energy: 1.229902161238086
Energy: 1.338663080691084
Energy: 1.229902161238086
Energy: 1.2668027023792539
Energy: 1.2674060531504863
Energy: 1.4042854314037785
Energy: 1.267406053149274
Energy: 1.2679316460314443
Energy: 1.267466345858967
Energy: 1.235566001515308
Energy: 1.2674663458601794
Energy: 1.3708312293992837
Energy: 1.318799166882028
Energy: 1.2344252812130516
Energy: 1.3187991668832406
Energy: 1.22451538928763
Energy: 1.2686402184634638
Energy: 1.2346335784663771
Energy: 1.2686402184634638
Energy: 1.2473140340901685
Energy: 1.4146382984031505
Energy: 1.4604038685111658
Energy: 1.4146382984043626
Energy: 1.5871307180128398
Energy: 1.2413730616710699
Energy: 1.3335309689444148
Energy: 1.241373061672282
Energy: 1.440934382826853
Energy: 1.23128535074469
Energy: 1.461622305107222
Energy: 1.2312853507459023
Energy: 1.2461181134683454
Energy: 1.2515690755354034
Energy: 1.523412350349447
Energy: 1.2515690755354034
Energy: 1.3429042721980724
Energy: 1.247250556222351
Energy: 1.2953818231232175
Energy: 1.247250556223563
Energy: 1.2638182461647782
Energy: 1.2928233303077932
Energy: 1.2413633230215104
Energy: 1.292823330306581
Energy: 1.2648014810899952
Energy: 1.2755703534180285
Energy: 1.29706067682877
Energy: 1.2755703534192406
Energy: 1.3540239352082273
Energy: 1.2669677527402021
Energy: 1.2507121966225467
Energy: 1.2669677527402021
Energy: 1.2747089905022668
Energy: 1.266185137732734
Energy: 1.2524789030835708
Energy: 1.2661851377315219
Energy: 1.469815816758506
Energy: 1.2272795928115379
Energy: 1.6495434700783258
Energy: 1.2272795928115379
Energy: 1.4654972488994744
Energy: 1.2280276698385144
Energy: 1.701822482647745
Energy: 1.2280276698373023
Energy: 1.3744402822048671
Energy: 1.2656938990662974
Energy: 1.2508318420274571
Energy: 1.2656938990662974
Energy: 1.2782950923925498
Energy: 1.2657443067941754
Energy: 1.2524504157179484
Energy: 1.2657443067953873
Energy: 1.3031643009926503
Energy: 1.2773890910549655
Energy: 1.4088170924922956
Energy: 1.2773890910561774
Energy: 1.2654673988223757
Energy: 1.2673235304836254
Energy: 1.2382633857460215
Energy: 1.2673235304836254
Energy: 1.3592050966710758
Energy: 1.3722081318112396
Energy: 1.303702141450589
Energy: 1.3722081318100274
Energy: 1.3403328994154469
Energy: 1.2525479099202133
Energy: 1.390192303032816
Energy: 1.2525479099214254
Energy: 1.341308821048637
Energy: 1.220276533785581
Energy: 1.5163688359763619
Energy: 1.220276533786793
Energy: 1.7052691940123224
Energy: 1.2324850980526656
Energy: 1.333044798583888
Energy: 1.2324850980538775

minimum gb energy = 1.2062693882523996 eV
minimum distance =  2.27007487843773 Angstroms
sigma value = 1


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

Energy: 1.2333174537737617
Energy: 1.1847210265190349
Energy: 2.1978883896248442
Energy: 1.1847210265190349
Energy: 1.1803221324791806
Energy: 1.1942099891862155
Energy: 1.2460775563419004
Energy: 1.1942099891878915
Energy: 1.3901333398753914
Energy: 1.2445869918620829
Energy: 1.309592991530321
Energy: 1.2445869918620829
Energy: 1.2452677155168
Energy: 1.2450949198673216
Energy: 1.2727260822185884
Energy: 1.2450949198673216
Energy: 1.19515849089268
Energy: 1.184284767343666
Energy: 1.1952779011660395
Energy: 1.184284767343666
Energy: 1.1957363504465093
Energy: 1.245660199756095
Energy: 1.1950962673590455
Energy: 1.245660199756095
Energy: 1.2730743581161972
Energy: 1.2448826576146552
Energy: 1.3887130185199288
Energy: 1.2448826576163314
Energy: 1.2775098077317077
Energy: 1.2445910973111263
Energy: 1.3913315654113532
Energy: 1.2445910973111263
Energy: 1.4786303750991003
Energy: 1.1845206133428565
Energy: 1.2042218365220292
Energy: 1.1845206133428565
Energy: 1.4786303750974246
Energy: 1.184522323653017
Energy: 1.2039641238967356
Energy: 1.184522323653017
Energy: 1.2759315842588987
Energy: 1.24461926397673
Energy: 1.3913315654113532
Energy: 1.24461926397673
Energy: 1.2730396098890484
Energy: 1.244892339220899
Energy: 1.3887130185199288
Energy: 1.244892339219223
Energy: 1.1956799470296366
Energy: 1.2460384285402444
Energy: 1.1951015437297798
Energy: 1.2460384285402444
Energy: 1.195157288957338
Energy: 1.1843695445150957
Energy: 1.1953262125258561
Energy: 1.1843695445150957
Energy: 1.2452815937450976
Energy: 1.2451281224673525
Energy: 1.2726888967348156
Energy: 1.2451281224673525
Energy: 1.3901333398770677
Energy: 1.24458674390688
Energy: 1.3095412358576897
Energy: 1.24458674390688
Energy: 1.1803818283270133
Energy: 1.1943847880769196
Energy: 1.2460718770264056
Energy: 1.1943847880769196
Energy: 1.2333174537720852
Energy: 1.1847210265190349
Energy: 2.19788838962652
Energy: 1.1847210265190349
Energy: 1.1803221324775046
Energy: 1.1942099891862155
Energy: 1.2460775563419004
Energy: 1.1942099891862155
Energy: 1.3901333398753914
Energy: 1.2445869918620829
Energy: 1.309592991531997
Energy: 1.2445869918620829
Energy: 1.2452677155168
Energy: 1.2450949198673216
Energy: 1.2727260822185884
Energy: 1.2450949198673216
Energy: 1.19515849089268
Energy: 1.184284767343666
Energy: 1.1952779011660395
Energy: 1.184284767343666
Energy: 1.1957363504465093
Energy: 1.245660199756095
Energy: 1.1950962673590455
Energy: 1.245660199756095
Energy: 1.2730743581161972
Energy: 1.2448826576146552
Energy: 1.3887130185199288
Energy: 1.2448826576146552

minimum gb energy = 1.1803221324775046 eV
minimum distance =  2.28700774880607 Angstroms
sigma value = 17


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

Energy: 1.419862495759922
Energy: 1.218881532060826
Energy: 2.0028767301851285
Energy: 1.2188815320628978
Energy: 1.314880376985005
Energy: 1.2243416636276134
Energy: 1.2979037606432577
Energy: 1.2243416636276134
Energy: 1.245710270692937
Energy: 1.223000666755021
Energy: 1.2378169838326314
Energy: 1.2230006667560571
Energy: 1.2644353990611972
Energy: 1.2342933458965106
Energy: 1.3817911998497618
Energy: 1.2342933458975465
Energy: 1.252818352167604
Energy: 1.2174047588289696
Energy: 1.2414043021598147
Energy: 1.2174047588300054
Energy: 1.2625535240128865
Energy: 1.2486469599451304
Energy: 1.2414055254518535
Energy: 1.2486469599451304
Energy: 1.2279347041160453
Energy: 1.2300870290864196
Energy: 1.217376735764742
Energy: 1.2300870290853836
Energy: 1.2263038784164197
Energy: 1.2300430404751024
Energy: 1.2514530423693608
Energy: 1.2300430404761384
Energy: 1.4514899886000963
Energy: 1.2067004035254376
Energy: 1.3922606870167495
Energy: 1.2067004035244018
Energy: 1.4911259228347649
Energy: 1.2065230193764303
Energy: 1.3916397179770705
Energy: 1.2065230193753942
Energy: 1.286233936219778
Energy: 1.2105522847764576
Energy: 1.2517979541333948
Energy: 1.2105522847774934
Energy: 1.283529022430503
Energy: 1.2104217624047362
Energy: 1.2502664532653
Energy: 1.2104217624037004
Energy: 1.2705750574635912
Energy: 1.235787492530908
Energy: 1.2420132656391858
Energy: 1.235787492530908
Energy: 1.226511870269061
Energy: 1.2176123875293676
Energy: 1.240817248548366
Energy: 1.2176123875304035
Energy: 1.2253416562621833
Energy: 1.2564561705667672
Energy: 1.2461915873642053
Energy: 1.256456170568839
Energy: 1.22843316804866
Energy: 1.230124121111712
Energy: 1.213053151262349
Energy: 1.2301241211086043
Energy: 1.3780999035248085
Energy: 1.2120678617867977
Energy: 1.277350565630846
Energy: 1.2120678617857616
Energy: 1.280411137612087
Energy: 1.219791158280698
Energy: 1.4728071019172526
Energy: 1.2197911582786263
Energy: 1.2813667609649688
Energy: 1.20072152043727
Energy: 1.2779110208035047
Energy: 1.20072152043727
Energy: 1.5904424123233047
Energy: 1.2152031980961784
Energy: 1.2823021523061695
Energy: 1.2152031980961784
Energy: 1.306742616904281
Energy: 1.3282979220794664
Energy: 1.3691835891981883
Energy: 1.3282979220794664
Energy: 1.227051240567716
Energy: 1.2178181424847743
Energy: 1.2244519944243417
Energy: 1.2178181424847743
Energy: 1.3251573960441034
Energy: 1.2967564272450243
Energy: 1.2767274246842328
Energy: 1.2967564272439882
Energy: 1.219386726197091
Energy: 1.2307638570731174
Energy: 1.2053938412296292
Energy: 1.2307638570731174
Energy: 1.2207022701304127
Energy: 1.2574822691179253
Energy: 1.292919188313286
Energy: 1.2574822691158534
Energy: 1.2472403650904982
Energy: 1.2182880214713216
Energy: 1.224155482617204
Energy: 1.2182880214713216
Energy: 1.3308100423750524
Energy: 1.218185226705657
Energy: 1.2876054192421167
Energy: 1.2181852267077289
Energy: 1.3845892700045253
Energy: 1.1927027068225133
Energy: 1.6604339883913353
Energy: 1.1927027068225133
Energy: 1.3895123171774317
Energy: 1.193417514369229
Energy: 1.503764335937345
Energy: 1.193417514369229
Energy: 1.245736883205899
Energy: 1.2182706030505748
Energy: 1.2244515714059157
Energy: 1.2182706030516106
Energy: 1.2488379935526166
Energy: 1.2184064680389646
Energy: 1.2878277292197187
Energy: 1.2184064680389646
Energy: 1.2192191970816382
Energy: 1.2554058368572392
Energy: 1.2483064916874276
Energy: 1.2554058368582752
Energy: 1.2208642568963342
Energy: 1.2311191639108037
Energy: 1.2031075504561919
Energy: 1.2311191639087318
Energy: 1.302530216226455
Energy: 1.2342308920134397
Energy: 1.2248690570084517
Energy: 1.2342308920144756
Energy: 1.2259237278704802
Energy: 1.2183123531390228
Energy: 1.2581561236347945
Energy: 1.2183123531390228
Energy: 1.3054254337692495
Energy: 1.1984228098532976
Energy: 1.3726724884248613
Energy: 1.1984228098522618
Energy: 1.644033004175731
Energy: 1.2098558827362238
Energy: 1.2822145607140147
Energy: 1.209855882734152
Energy: 1.3794844340226975
Energy: 1.1999398520099105
Energy: 1.2940510964685528
Energy: 1.1999398520078386

minimum gb energy = 1.1927027068225133 eV
minimum distance =  2.28016023296224 Angstroms
sigma value = 89


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

Energy: 1.3194357887351182
Energy: 1.1364865051677715
Energy: 2.0310650434702486
Energy: 1.1364865051677715
Energy: 1.2203288925568894
Energy: 1.169378300209339
Energy: 1.272093008313071
Energy: 1.169378300208538
Energy: 1.3402946796539494
Energy: 1.1277459293640455
Energy: 1.1418234956940416
Energy: 1.1277459293640455
Energy: 1.1898080438585807
Energy: 1.1977727831348395
Energy: 1.3434591406784944
Energy: 1.1977727831345624
Energy: 1.205458619276128
Energy: 1.1830282757002704
Energy: 1.184407035313164
Energy: 1.1830282757005477
Energy: 1.1822626206560072
Energy: 1.3552619640656272
Energy: 1.184635240777789
Energy: 1.3552619640656272
Energy: 1.1850667697261505
Energy: 1.1278694975017893
Energy: 1.1841166711371545
Energy: 1.1278694975020662
Energy: 1.18333751009269
Energy: 1.1949230726218345
Energy: 1.3441404178794603
Energy: 1.1949230726215574
Energy: 1.3414258139671775
Energy: 1.1830925885977668
Energy: 1.1221873352406033
Energy: 1.1830925885977668
Energy: 1.1824558238231684
Energy: 1.1839859654646854
Energy: 1.120873449523666
Energy: 1.1839859654649627
Energy: 1.2635105618099602
Energy: 1.127791176592624
Energy: 1.3441752269932545
Energy: 1.1277911765923467
Energy: 1.2632600807554828
Energy: 1.1287128687967363
Energy: 1.3441259907363012
Energy: 1.1287128687964594
Energy: 1.3414311347728913
Energy: 1.183259329305381
Energy: 1.1222927111220464
Energy: 1.1832593293056586
Energy: 1.3398896191878025
Energy: 1.1842556552555858
Energy: 1.120660232571515
Energy: 1.1842556552555858
Energy: 1.1847298041145147
Energy: 1.183074018306446
Energy: 1.2565819406181815
Energy: 1.183074018306169

minimum gb energy = 1.120660232571515 eV
minimum distance =  2.2847053836209 Angstroms
sigma value = 13


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

Energy: 1.1942286726729423
Energy: 1.1038372081912557
Energy: 1.8181171417925739
Energy: 1.1038372081912557
Energy: 1.2774026741184998
Energy: 1.1017059986182247
Energy: 1.1354217400007878
Energy: 1.1017059986182247
Energy: 1.2322560818725685
Energy: 1.0860247439090613
Energy: 1.1843237155235973
Energy: 1.0860247439090613
Energy: 1.170049647298125
Energy: 1.1054022004415536
Energy: 1.1351745690972992
Energy: 1.1054022004415536
Energy: 1.1126815816031388
Energy: 1.1142255136008723
Energy: 1.1530039568441748
Energy: 1.1142255136008723
Energy: 1.2393194947009227
Energy: 1.1148441563199873
Energy: 1.173481633514469
Energy: 1.1148441563211235
Energy: 1.1372372227698744
Energy: 1.0858675150727857
Energy: 1.1463354394479042
Energy: 1.0858675150727857
Energy: 1.1407810344991798
Energy: 1.1308565363542034
Energy: 1.1361816489888261
Energy: 1.1308565363542034
Energy: 1.1468900258457446
Energy: 1.1140304463995603
Energy: 1.1042513101431866
Energy: 1.1140304463995603
Energy: 1.3099072923773272
Energy: 1.114423453779491
Energy: 1.1944549798926105
Energy: 1.114423453779491
Energy: 1.166907179007539
Energy: 1.0858140082786216
Energy: 1.2262430172885197
Energy: 1.0858140082786216
Energy: 1.158964036478302
Energy: 1.0866147054580508
Energy: 1.1360961223408974
Energy: 1.0866147054580508
Energy: 1.2224132047552982
Energy: 1.0993352078638448
Energy: 1.1700470819032267
Energy: 1.0993352078638448
Energy: 1.2173240073955087
Energy: 1.1013125185072024
Energy: 1.3011302632386277
Energy: 1.1013125185072024
Energy: 1.1665185509065472
Energy: 1.0858804859376359
Energy: 1.2247687352518817
Energy: 1.0858804859376359
Energy: 1.1590424858400385
Energy: 1.086793547044997
Energy: 1.2322844855033421
Energy: 1.086793547044997
Energy: 1.2232672214488425
Energy: 1.1139923171133703
Energy: 1.1041750029718442
Energy: 1.1139923171133703
Energy: 1.1528936791410527
Energy: 1.1143846472689167
Energy: 1.194870246712609
Energy: 1.1143846472689167
Energy: 1.1368961161806388
Energy: 1.0865425724341253
Energy: 1.14146096861515
Energy: 1.0865425724341253
Energy: 1.1414731501190203
Energy: 1.0864965955878478
Energy: 1.1368943442441135
Energy: 1.0864965955878478
Energy: 1.194883167259217
Energy: 1.1143833686381341
Energy: 1.1528776870640431
Energy: 1.1143833686381341
Energy: 1.1042127956939447
Energy: 1.1139739864664353
Energy: 1.2232672214488425
Energy: 1.1139739864664353
Energy: 1.2322844854999855
Energy: 1.0863115513826853
Energy: 1.1590438349026646
Energy: 1.0863115513826853
Energy: 1.224768735254154
Energy: 1.0858697598369196
Energy: 1.1666589334498936
Energy: 1.0858697598369196
Energy: 1.301373235351109
Energy: 1.1013550073346756
Energy: 1.2173546902738641
Energy: 1.1013550073335394
Energy: 1.17002771747676
Energy: 1.0994946687932379
Energy: 1.2224132047552982
Energy: 1.0994946687932379
Energy: 1.1360753882656889
Energy: 1.0866088706418977
Energy: 1.1589697425191199
Energy: 1.0866088706418977
Energy: 1.2262430172873835
Energy: 1.0858016956590009
Energy: 1.1664349860779957
Energy: 1.085801695660137
Energy: 1.1944122600023084
Energy: 1.1146256778392725
Energy: 1.310048807831926
Energy: 1.1146256778392725
Energy: 1.1040181331845051
Energy: 1.1140316923457012
Energy: 1.1467109561757507
Energy: 1.1140316923457012
Energy: 1.13601252692169
Energy: 1.1308601959171027
Energy: 1.1405047681628844
Energy: 1.1308601959171027
Energy: 1.1460523786975148
Energy: 1.085857065487125
Energy: 1.1373150529656084
Energy: 1.085857065487125
Energy: 1.173723037891947
Energy: 1.1146002253817506
Energy: 1.2392596063744175
Energy: 1.1146002253817506
Energy: 1.1529742845485316
Energy: 1.1142292318490739
Energy: 1.112689012205821
Energy: 1.1142292318490739
Energy: 1.135049902895013
Energy: 1.1053654232125405
Energy: 1.170038434227174
Energy: 1.1053654232125405

minimum gb energy = 1.0858016956590009 eV
minimum distance =  2.30419627588601 Angstroms
sigma value = 37


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

Energy: 1.1890701406309598
Energy: 1.0326467463696114
Energy: 1.7463571934033189
Energy: 1.0326467463692115
Energy: 1.2170373809819073
Energy: 1.0517508144081895
Energy: 1.109272334486555
Energy: 1.051750814407812
Energy: 1.2238633350292598
Energy: 1.0154276990866036
Energy: 1.188788534400682
Energy: 1.0154276990870035
Energy: 1.1483192602576295
Energy: 1.030597829809821
Energy: 1.1096987236009934
Energy: 1.030597829809821
Energy: 1.1027021991694403
Energy: 1.0134785630487757
Energy: 1.2129442993633353
Energy: 1.0134785630491534
Energy: 1.1918087830092932
Energy: 1.0554933286508645
Energy: 1.1290125518721272
Energy: 1.055493328650265
Energy: 1.1048816994944457
Energy: 1.015432539003349
Energy: 1.1546948220160858
Energy: 1.015432539003349
Energy: 1.1043479814713313
Energy: 1.1550585639656386
Energy: 1.124432634872345
Energy: 1.1550585639658384
Energy: 1.1120878166491903
Energy: 1.0135029314293391
Energy: 1.1244166003436107
Energy: 1.0135029314291393
Energy: 1.1909795627612807
Energy: 1.055367409850953
Energy: 1.1250161892718098
Energy: 1.0553674098511527
Energy: 1.0751524362278646
Energy: 1.015285764855094
Energy: 1.2113614736732918
Energy: 1.0152857648554936
Energy: 1.0849885358766351
Energy: 1.0571074414466437
Energy: 1.1706544807772545
Energy: 1.057107441447421
Energy: 1.223914008505446
Energy: 1.0136687962990034
Energy: 1.1353709288605773
Energy: 1.0136687962990034
Energy: 1.0697713101180373
Energy: 1.0159349931707407
Energy: 1.1373028310963647
Energy: 1.0159349931713182
Energy: 1.1406724758830449
Energy: 1.0315278035858535
Energy: 1.2114303421856845
Energy: 1.031527803585476
Energy: 1.1349985389059778
Energy: 1.038705104563163
Energy: 1.1667496167975286
Energy: 1.038705104563163
Energy: 1.2239527748972345
Energy: 1.013763879053117
Energy: 1.135422900423979
Energy: 1.0137638790533168
Energy: 1.1479833548192464
Energy: 1.015785973573167
Energy: 1.1373088836942349
Energy: 1.015785973572967
Energy: 1.0751695129965864
Energy: 1.0152391124289897
Energy: 1.2116591398506995
Energy: 1.0152391124291673
Energy: 1.07507461223594
Energy: 1.0566117204459544
Energy: 1.2130609875459546
Energy: 1.0566117204461545

minimum gb energy = 1.0134785630487757 eV
minimum distance =  2.29605504902142 Angstroms
sigma value = 25


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

Energy: 1.1197462959074012
Energy: 0.9442797110390319
Energy: 1.4989985973567759
Energy: 0.9442797110375056
Energy: 1.0070022769366391
Energy: 0.9716488875039242
Energy: 1.03529645801274
Energy: 0.9716488875039242
Energy: 1.0901170306241754
Energy: 0.9285460202057831
Energy: 1.092390983720096
Energy: 0.9285460202057831
Energy: 1.0420787969983951
Energy: 0.9797746077863304
Energy: 1.035332226538739
Energy: 0.9797746077863304
Energy: 1.045020352260835
Energy: 0.9211823652001231
Energy: 1.079355880132803
Energy: 0.9211823652001231
Energy: 1.042279493514145
Energy: 0.9403673213916439
Energy: 1.0692181119111979
Energy: 0.9403673213916439
Energy: 1.020263834886473
Energy: 0.9207257327895297
Energy: 1.0452408453221262
Energy: 0.9207257327895297
Energy: 1.0450931948329787
Energy: 0.943726570467285
Energy: 1.0833925513494365
Energy: 0.943726570467285
Energy: 1.0155164013176297
Energy: 0.9212726611610055
Energy: 1.0364291023092769
Energy: 0.9212726611594794
Energy: 1.063746339633429
Energy: 0.9954089685696264
Energy: 1.046690378574361
Energy: 0.9954089685711527
Energy: 1.0070892372299793
Energy: 0.9207108683252625
Energy: 1.0441842773193413
Energy: 0.9207108683252625
Energy: 1.042321046801389
Energy: 0.9438363788652246
Energy: 1.068983949012016
Energy: 0.9438363788652246
Energy: 1.0230270798966783
Energy: 0.9213404840542784
Energy: 1.01855705381933
Energy: 0.9213404840542784
Energy: 1.1165919094474885
Energy: 0.9431537576096521
Energy: 1.0092584749169
Energy: 0.9431537576081258
Energy: 0.9931874492710324
Energy: 0.9208293395062209
Energy: 1.081578871276952
Energy: 0.9208293395062209
Energy: 1.0177644614214922
Energy: 0.920940529622969
Energy: 1.0340305355771027
Energy: 0.920940529622969
Energy: 1.086595180577001
Energy: 0.9284064247164586
Energy: 1.0099919588536022
Energy: 0.9284064247179848
Energy: 0.9998322783744957
Energy: 0.9546307222769381
Energy: 1.0107439048580262
Energy: 0.9546307222784645
Energy: 1.030962945954879
Energy: 0.942908807748719
Energy: 1.0833809788376516
Energy: 0.942908807748719
Energy: 1.073516344641526
Energy: 0.9437015285765863
Energy: 1.0338262722168843
Energy: 0.9437015285765863
Energy: 1.0864114107622795
Energy: 0.928619051199871
Energy: 1.0105468920647929
Energy: 0.928619051199871
Energy: 1.0579661639437226
Energy: 0.9383177781559036
Energy: 1.013080761846899
Energy: 0.9383177781559036
Energy: 0.9930940250640135
Energy: 0.9210448898403938
Energy: 1.078884687084291
Energy: 0.9210448898403938
Energy: 1.0419819350634263
Energy: 0.9205845948646231
Energy: 1.0592529748293926
Energy: 0.9205845948661495
Energy: 1.0240948419317213
Energy: 0.9214989155788287
Energy: 1.0188526252068304
Energy: 0.9214989155788287
Energy: 1.091937494873872
Energy: 0.9428225124541475
Energy: 1.0096894994169712
Energy: 0.9428225124526212

minimum gb energy = 0.9205845948646231 eV
minimum distance =  2.30580181409952 Angstroms
sigma value = 41


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

Energy: 1.0419765359005602
Energy: 0.8771608568853866
Energy: 1.327008122818091
Energy: 0.8771608568841351
Energy: 0.9388939735142777
Energy: 0.8892909306212942
Energy: 0.9808534815460613
Energy: 0.8892909306212942
Energy: 0.9902756858568863
Energy: 0.8580173305718016
Energy: 0.9997945656307904
Energy: 0.8580173305705504
Energy: 0.9822223819547945
Energy: 0.9254345439815885
Energy: 0.980730959675794
Energy: 0.9254345439803372
Energy: 0.9899258365080749
Energy: 0.8479744371125258
Energy: 0.9820724775151288
Energy: 0.8479744371125258
Energy: 0.9823882699369393
Energy: 0.8651797014157814
Energy: 0.9645547706662569
Energy: 0.8651797014157814
Energy: 0.994600842213888
Energy: 0.8443627968132117
Energy: 0.9851702069665293
Energy: 0.8443627968144629
Energy: 0.98159153855889
Energy: 0.8698903028596722
Energy: 0.9645682154454249
Energy: 0.8698903028596722
Energy: 0.987344076387901
Energy: 0.8442898661506276
Energy: 0.9595713332916592
Energy: 0.8442898661493763
Energy: 0.981609930193741
Energy: 0.9010373987127844
Energy: 0.9782905490478879
Energy: 0.9010373987127844
Energy: 0.9741735276328938
Energy: 0.8444832052665201
Energy: 0.9626474321416528
Energy: 0.8444832052652689
Energy: 0.9690215823628635
Energy: 0.887807377332969
Energy: 0.9782395126747508
Energy: 0.887807377332969
Energy: 0.9810683654063296
Energy: 0.8444238326733147
Energy: 0.9556778905794068
Energy: 0.8444238326733147
Energy: 0.9815270001442962
Energy: 0.8578588242892082
Energy: 0.9676878551287266
Energy: 0.8578588242892082
Energy: 0.9319970532896427
Energy: 0.8443978105414246
Energy: 0.9643672921851227
Energy: 0.844397810542676
Energy: 0.9314318919521929
Energy: 0.8575589474120325
Energy: 0.995855918955067
Energy: 0.8575589474120325
Energy: 0.9985649066220589
Energy: 0.8441818911600241
Energy: 0.9244577651798496
Energy: 0.8441818911600241
Energy: 0.9785736328795204
Energy: 0.8440891501319917
Energy: 0.9420713418919908
Energy: 0.8440891501319917
Energy: 0.9320704353386453
Energy: 0.8472528147928923
Energy: 0.9838192330523838
Energy: 0.8472528147916408
Energy: 0.935804746300674
Energy: 0.9143926510716983
Energy: 0.9369374926119692
Energy: 0.914392651070447
Energy: 0.9876322830730467
Energy: 0.8566475717677715
Energy: 0.942126220601236
Energy: 0.8566475717677715
Energy: 0.9321612716241426
Energy: 0.8771678375562143
Energy: 0.9771599863318715
Energy: 0.8771678375562143
Energy: 0.9678804237788744
Energy: 0.8761588147227556
Energy: 0.9854959932290245
Energy: 0.8761588147215041
Energy: 0.9926726952889592
Energy: 0.8794787964284433
Energy: 0.9633657636618469
Energy: 0.8794787964296377
Energy: 0.9946592744988011
Energy: 0.8565175424703964
Energy: 0.94209950734389
Energy: 0.856517542469145
Energy: 0.9784356588739128
Energy: 0.8577886898501165
Energy: 0.9767476663333625
Energy: 0.8577886898488651
Energy: 0.932137075858297
Energy: 0.8473821551324326
Energy: 0.9861182628597223
Energy: 0.8473821551324326
Energy: 0.9667079804791825
Energy: 0.8552919203667322
Energy: 0.9956961660814997
Energy: 0.8552919203679835
Energy: 0.9935932950247668
Energy: 0.8440959499136501
Energy: 0.9243677993751478
Energy: 0.8440959499136501
Energy: 0.9817970347931211
Energy: 0.8438047215978712
Energy: 0.9680511592813434
Energy: 0.8438047215966198
Energy: 0.9325314443416339
Energy: 0.8442405637461567
Energy: 0.958539163271941
Energy: 0.8442405637449055
Energy: 0.9313612600055469
Energy: 0.857333030721241
Energy: 1.003069064392572
Energy: 0.857333030721241

minimum gb energy = 0.8438047215966198 eV
minimum distance =  2.31376989259308 Angstroms
sigma value = 15


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

Energy: 0.970339647841864
Energy: 0.8148775789966105
Energy: 1.1992468209212568
Energy: 0.8148775789955505
Energy: 0.924280379247743
Energy: 0.8687694858420926
Energy: 0.9153411188567526
Energy: 0.8687694858431526
Energy: 0.9134268325577296
Energy: 0.8051008367817339
Energy: 0.9450988446601105
Energy: 0.8051008367817339
Energy: 0.9119693285607023
Energy: 0.8173032951349436
Energy: 0.9155581169995265
Energy: 0.8173032951349436
Energy: 0.9309133095892078
Energy: 0.7932597175990074
Energy: 0.9074066693656457
Energy: 0.7932597175990074
Energy: 0.9119459677917797
Energy: 0.8528045578100478
Energy: 0.9132795667116942
Energy: 0.8528045578100478
Energy: 0.9175873760005641
Energy: 0.7830005525829038
Energy: 0.9399650492700214
Energy: 0.7830005525829038
Energy: 0.9039011162585114
Energy: 0.8534100472432775
Energy: 0.9132820023691007
Energy: 0.8534100472432775
Energy: 0.9322755485348433
Energy: 0.7816800500233305
Energy: 0.8948464891296187
Energy: 0.7816800500222704
Energy: 0.9036008707292148
Energy: 0.798382536385598
Energy: 0.915379999510291
Energy: 0.7983825363845379
Energy: 0.9065196614761837
Energy: 0.7817369577132035
Energy: 0.9112791628652641
Energy: 0.7817369577132035
Energy: 0.9131715213239237
Energy: 0.817812223310704
Energy: 0.91484945851456
Energy: 0.817812223310704
Energy: 0.9133107353710547
Energy: 0.7818732257095821
Energy: 0.8944895363868727
Energy: 0.781873225708522
Energy: 0.9132157216642196
Energy: 0.8095775000245519
Energy: 0.9074737207521388
Energy: 0.8095775000234917
Energy: 0.9077454349914307
Energy: 0.7818968477833499
Energy: 0.8980232454857441
Energy: 0.7818968477822898
Energy: 0.9127324867214474
Energy: 0.8094146781150908
Energy: 0.9149097684389564
Energy: 0.8094146781140308
Energy: 0.9103121550762896
Energy: 0.7818075591013637
Energy: 0.9059744162636078
Energy: 0.7818075590992435
Energy: 0.9206948299730182
Energy: 0.7904322206707678
Energy: 0.877675226101341
Energy: 0.7904322206697079
Energy: 0.8717354421318199
Energy: 0.7816396232173999
Energy: 0.8985179139940483
Energy: 0.7816396232173999
Energy: 0.9063208203499323
Energy: 0.7980897056207524
Energy: 0.909154788221018
Energy: 0.7980897056196925
Energy: 0.9216293529167596
Energy: 0.7834162008701953
Energy: 0.8778206124497132
Energy: 0.7834162008680752
Energy: 0.9228863918211085
Energy: 0.8460404505385493
Energy: 0.9056037032895909
Energy: 0.8460404505396093
Energy: 0.8809249007797082
Energy: 0.7930863162801348
Energy: 0.9087242338233763
Energy: 0.7930863162801348
Energy: 0.9150331711884298
Energy: 0.8585067390613534
Energy: 0.9214925707918848
Energy: 0.8585067390613534
Energy: 0.9114981676779375
Energy: 0.8047694407158729
Energy: 0.8960183606033629
Energy: 0.8047694407169328
Energy: 0.8794085213364788
Energy: 0.8616413629853544
Energy: 0.9235945752774273
Energy: 0.8616413629853544
Energy: 0.9068486960978109
Energy: 0.8148065861014829
Energy: 0.9102819851196446
Energy: 0.8148065861025429
Energy: 0.9242963304356216
Energy: 0.856812891423052
Energy: 0.9210282230182225
Energy: 0.856812891423052
Energy: 0.9180442739178932
Energy: 0.8019169045788069
Energy: 0.8960997273501728
Energy: 0.8019169045788069
Energy: 0.9227390301698801
Energy: 0.8041267412375708
Energy: 0.9234138011848282
Energy: 0.8041267412375708
Energy: 0.881178492914249
Energy: 0.7902445728058177
Energy: 0.9099884134057917
Energy: 0.7902445728079379
Energy: 0.9148932048723558
Energy: 0.8033990437369759
Energy: 0.9094087066290082
Energy: 0.8033990437369759
Energy: 0.9175216057833244
Energy: 0.783420848216248
Energy: 0.8781441544447448
Energy: 0.7834208482151881
Energy: 0.9209735775183067
Energy: 0.7883577624599549
Energy: 0.9054912736253401
Energy: 0.7883577624599549
Energy: 0.8718731746481442
Energy: 0.7819223671861621
Energy: 0.9253747164956431
Energy: 0.7819223671872222
Energy: 0.907589787974542
Energy: 0.7976421578693468
Energy: 0.9153699649456979
Energy: 0.797642157871467
Energy: 0.9026962951503995
Energy: 0.782076629010975
Energy: 0.90561116956827
Energy: 0.7820766290099148

minimum gb energy = 0.7816396232173999 eV
minimum distance =  2.31700218833061 Angstroms
sigma value = 85


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

Energy: 0.9523101576856724
Energy: 0.7594104788046644
Energy: 1.0752317572612646
Energy: 0.7594104788037449
Energy: 0.8311846870760874
Energy: 0.7135910560555266
Energy: 0.836555425083812
Energy: 0.7135910560555266
Energy: 0.8280364905267799
Energy: 0.7575856816483785
Energy: 0.9158236264794182
Energy: 0.7575856816483785
Energy: 0.8233531390257603
Energy: 0.7589036586096954
Energy: 0.8366135351995421
Energy: 0.7589036586087762
Energy: 0.8989087523703692
Energy: 0.72484684945723
Energy: 0.8281739172479217
Energy: 0.7248468494563105
Energy: 0.823104047000092
Energy: 0.7620376468509382
Energy: 0.8305232451801643
Energy: 0.762037646850019
Energy: 0.8416707347911203
Energy: 0.7262028820755372
Energy: 0.8785014920836812
Energy: 0.7262028820755372
Energy: 0.8327900816244672
Energy: 0.769730888305659
Energy: 0.8304759266254071
Energy: 0.769730888305659
Energy: 0.8812232444885542
Energy: 0.708175278050328
Energy: 0.8571959068559791
Energy: 0.708175278050328
Energy: 0.83290927091936
Energy: 0.7821952516408933
Energy: 0.8369462401354537
Energy: 0.782195251639974
Energy: 0.8179175195856645
Energy: 0.7081635539665061
Energy: 0.868219857687365
Energy: 0.7081635539665061
Energy: 0.852935766016237
Energy: 0.7213579451230959
Energy: 0.8365128598426864
Energy: 0.7213579451221765
Energy: 0.8407445082589127
Energy: 0.7084359221953408
Energy: 0.8344739216933774
Energy: 0.7084359221953408
Energy: 0.8526090225371129
Energy: 0.7523290422468318
Energy: 0.8514169073902313
Energy: 0.7523290422477512
Energy: 0.8139337499497515
Energy: 0.7083750620400526
Energy: 0.8446500621955226
Energy: 0.7083750620400526
Energy: 0.8465700115530389
Energy: 0.7514556803948474
Energy: 0.8509123689878902
Energy: 0.7514556803948474
Energy: 0.817817177487995
Energy: 0.7082181106815754
Energy: 0.8338934958754168
Energy: 0.7082181106815754
Energy: 0.8524515141237039
Energy: 0.7512013663162291
Energy: 0.8509916278426563
Energy: 0.7512013663162291
Energy: 0.8294506727087264
Energy: 0.7081377024001446
Energy: 0.8399402485435624
Energy: 0.7081377024001446
Energy: 0.8181316913245423
Energy: 0.720667748541038
Energy: 0.8499583256942701
Energy: 0.720667748541038
Energy: 0.8168206136650839
Energy: 0.7082518641543494
Energy: 0.8081284174358438
Energy: 0.7082518641543494
Energy: 0.8334853201069994
Energy: 0.7224857409412254
Energy: 0.8369911271756789
Energy: 0.7224857409412254
Energy: 0.8133696868627038
Energy: 0.7076961031563835
Energy: 0.8546492359390467
Energy: 0.7076961031563835
Energy: 0.8335576713212559
Energy: 0.7690797768689963
Energy: 0.8259146541769359
Energy: 0.7690797768680768
Energy: 0.8443208296608383
Energy: 0.7253270907859106
Energy: 0.8135380164755948
Energy: 0.7253270907859106
Energy: 0.8231517688435863
Energy: 0.7618198033488452
Energy: 0.8306065657585942
Energy: 0.7618198033488452
Energy: 0.8317431552101877
Energy: 0.7247091267285075
Energy: 0.8289183273650299
Energy: 0.7247091267285075
Energy: 0.8425701207536305
Energy: 0.7650962755917042
Energy: 0.8175910015226644
Energy: 0.7650962755917042
Energy: 0.8264791213255811
Energy: 0.7576048890729498
Energy: 0.8307507274282494
Energy: 0.7576048890729498
Energy: 0.8144043176446114
Energy: 0.7614642690185571
Energy: 0.8364697168807425
Energy: 0.7614642690185571
Energy: 0.866369364784191
Energy: 0.7593310039310649
Energy: 0.8305294143433158
Energy: 0.7593310039310649
Energy: 0.8642130908370378
Energy: 0.727064460476562
Energy: 0.8172118948111895
Energy: 0.7270644604774814
Energy: 0.8264134435566157
Energy: 0.7576749631734679
Energy: 0.830838309000101
Energy: 0.7576749631725486
Energy: 0.8231495909722789
Energy: 0.7082677689359206
Energy: 0.8368375029368151
Energy: 0.7082677689359206
Energy: 0.8318633674184684
Energy: 0.7247242426622355
Energy: 0.8302290651992071
Energy: 0.7247242426622355
Energy: 0.8425140852421277
Energy: 0.7066352404007281
Energy: 0.8256702377082279
Energy: 0.7066352404007281
Energy: 0.841585920774327
Energy: 0.7252605774607598
Energy: 0.8135143881885516
Energy: 0.7252605774616792
Energy: 0.8337022266182256
Energy: 0.7072853326745737
Energy: 0.8306222029148715
Energy: 0.7072853326736543
Energy: 0.8135210688105703
Energy: 0.7076131194217007
Energy: 0.8544896457277789
Energy: 0.7076131194217007
Energy: 0.8361351317119505
Energy: 0.7071576247746343
Energy: 0.849889615796819
Energy: 0.7071576247737149
Energy: 0.8150966788727835
Energy: 0.7075331101668458
Energy: 0.8081817965101028
Energy: 0.7075331101677652
Energy: 0.8532743269150037
Energy: 0.7224902836440399
Energy: 0.8365079075883707
Energy: 0.7224902836440399
Energy: 0.8294611509790951
Energy: 0.7061346317423355
Energy: 0.8369563442460719
Energy: 0.7061346317423355

minimum gb energy = 0.7061346317423355 eV
minimum distance =  2.32160490608042 Angstroms
sigma value = 113


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

Energy: 0.01495135440018305
Energy: 0.015218775289624717
Energy: 1.3276895328274694
Energy: 0.015218775288957216
Energy: 0.015908711718156675
Energy: 0.6808579048309137
Energy: 0.015908711717449904
Energy: 0.6808579048309137
Energy: 1.3276895328267624
Energy: 0.015218775288957216
Energy: 0.01495135440018305
Energy: 0.015218775288957216
Energy: 0.015908711718156675
Energy: 0.6808579048315812
Energy: 0.015908711717449904
Energy: 0.6808579048309137
Energy: 0.01495135440018305
Energy: 0.015218775289624717
Energy: 1.3276895328267624
Energy: 0.015218775288957216
Energy: 0.015908711718156675
Energy: 0.6808579048309137
Energy: 0.015908711718156675
Energy: 0.6808579048309137

minimum gb energy = 0.01495135440018305 eV
minimum distance =  2.4574395924462 Angstroms
sigma value = 1