Model name: model_name=MEAM_LAMMPS_LeeShimBaskes_2003_Pt__MO_534993486058_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917371571063995
cohesive_energy=5.770453839794827
mass=195.084
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=[2.14132509310734e-19, 3.08380549805784e-19, 3.8430609831440997e-19, 4.49251930350234e-19, 5.0637593605887e-19, 5.573812292022599e-19, 6.03317235475674e-19, 6.4488731042143805e-19, 6.8258652661945795e-19, 7.16788191225456e-19, 7.477758895036499e-19, 7.757771305360679e-19, 8.009729602823519e-19, 8.235187898759999e-19, 8.435411912710979e-19, 8.61150714655392e-19, 8.764402862736539e-19, 8.89493219310852e-19, 9.0038321389215e-19, 9.09175959259542e-19, 9.15929133771852e-19, 9.20694007081368e-19, 9.235218488403779e-19, 9.24455917818e-19, 9.234321269488739e-19, 9.20075566900644e-19, 9.13894369446672e-19, 9.04282911819306e-19, 8.905041927669059e-19, 8.71654584667896e-19, 8.46610961701842e-19, 8.139826345504319e-19, 7.720296393891419e-19, 7.185585964060259e-19, 6.50784922611192e-19, 5.651565924070619e-19, 4.57083369737226e-19, 3.20577920520426e-19, 1.4776778964783957e-19, -7.18573015995732e-20, -3.5247245077346394e-19, -7.1353737483507e-19, -1.182138792394122e-18, -1.79677700796564e-18, -2.6132301988857e-18, -3.71447028649926e-18, -5.2271813772567e-18, -7.35149135451096e-18, -1.041594255883008e-17, -1.498552655842782e-17, -2.20893694706214e-17, -3.3741839912039996e-17, -5.4270208688155195e-17, -9.422352719254979e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.01895324583624991
Energy: 0.11365362447684328
Energy: 1.2798348512428614
Energy: 0.020303521689159762
Energy: 0.11365362447527057
Energy: 1.2141982655201977
Energy: 0.020303521689159762
Energy: 1.2141982655175865
Energy: 1.2798348512428614
Energy: 0.020303521689159762
Energy: 0.01895324583624991
Energy: 0.1136536244758047
Energy: 0.020303521689159762
Energy: 1.2141982655217702
Energy: 0.11365362447527057
Energy: 1.2141982655175865

minimum gb energy = 0.01895324583624991 eV
minimum distance =  2.64827389335367 Angstroms
sigma value = 1


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

Energy: 2.1775814520282606
Energy: 1.4807137784983933
Energy: 1.5183408360315411
Energy: 1.4024833712593936
Energy: 1.5143213496456331
Energy: 1.4045239879211457
Energy: 1.4801330462649953
Energy: 1.4045239879243847
Energy: 1.4287639976522764
Energy: 1.4345805528164446
Energy: 2.375422711785301
Energy: 1.4345805528170923
Energy: 1.4578385275892458
Energy: 1.4052122293921905
Energy: 1.4761722094736327
Energy: 1.4052122293870082
Energy: 2.0110553147209984
Energy: 1.405365663880754
Energy: 1.4110303602163685
Energy: 1.4053656638814016
Energy: 1.4224160368053091
Energy: 1.384597484177219
Energy: 1.3382849518778557
Energy: 1.384597484177867
Energy: 1.532745703655173
Energy: 1.3874255580678143
Energy: 2.0101519364239615
Energy: 1.3874255580678143
Energy: 1.347290458178705
Energy: 1.3621446633098968
Energy: 1.4716895912737762
Energy: 1.3621446633111927
Energy: 1.7296269587108402
Energy: 1.3641368840770545
Energy: 1.7677892484803772
Energy: 1.3641368840764068
Energy: 1.3576541687270698
Energy: 1.6935460103472462
Energy: 1.349355832771199
Energy: 1.6935460103472462
Energy: 1.8425862421402532
Energy: 1.3631084125671389
Energy: 1.6991369203287732
Energy: 1.3631084125677866
Energy: 1.349177150243779
Energy: 1.6957373421214341
Energy: 1.3682606437567078
Energy: 1.695737342122082
Energy: 1.4469318741796917
Energy: 1.388130194743476
Energy: 2.182089747444018
Energy: 1.388130194743476
Energy: 1.52493365295009
Energy: 1.3817522554762456
Energy: 1.3561629246255358
Energy: 1.3817522554730066
Energy: 2.180214081890076
Energy: 1.4057674007225864
Energy: 1.3262207898725435
Energy: 1.405767400721291
Energy: 1.3529362847500144
Energy: 1.4050710253702945
Energy: 1.4881521068416004
Energy: 1.4050710253696468
Energy: 1.5106595065598416
Energy: 1.4726802407804762
Energy: 2.5707753143669385
Energy: 1.4726802407778852
Energy: 1.4795750109045818
Energy: 1.4056212688430056
Energy: 1.559819492025841
Energy: 1.405621268842358
Energy: 2.376802834689655
Energy: 1.4127154825562582
Energy: 1.5111927993028114
Energy: 1.4127154825569062
Energy: 1.614237218406818
Energy: 1.4709321583265926
Energy: 1.4380761282627441
Energy: 1.4709321583265926
Energy: 1.4934099537881378
Energy: 1.3660506086050854
Energy: 2.011522295883938
Energy: 1.36605060860379
Energy: 1.3373542745696188
Energy: 1.3853825178803578
Energy: 1.4226479915097159
Energy: 1.3853825178797101
Energy: 2.0104782482661023
Energy: 1.3887258057321057
Energy: 1.5989662195103873
Energy: 1.3887258057314578
Energy: 1.4720906816507997
Energy: 1.42049121783451
Energy: 1.4206228279799726
Energy: 1.4204912178351579
Energy: 1.5382931591492413
Energy: 1.3634489424911638
Energy: 1.4780145231939954
Energy: 1.3634489424911638
Energy: 1.4109771018867527
Energy: 1.4742729933815493
Energy: 1.359656865272281
Energy: 1.4742729933809016
Energy: 1.6995563440112227
Energy: 1.3648968818386713
Energy: 1.6368182859607323
Energy: 1.364896881839319
Energy: 1.3657838993724092
Energy: 1.360032334147485
Energy: 1.4381969718708145
Energy: 1.3600323341481328
Energy: 1.7966364274098328
Energy: 1.3916424433074754
Energy: 1.446088569057752
Energy: 1.3916424433081236
Energy: 1.346545681096022
Energy: 1.383662845871232
Energy: 1.4288655327352597
Energy: 1.3836628458699363
Energy: 1.347389943702155
Energy: 1.4044398516577272
Energy: 1.352615299070379
Energy: 1.4044398516583751
Energy: 1.4861945709875537
Energy: 1.4034718603971472
Energy: 1.3692395284711583
Energy: 1.4034718603971472
Energy: 2.0092705329559437
Energy: 1.4699675647487824
Energy: 1.4285615523993385
Energy: 1.4699675647487824

minimum gb energy = 1.3262207898725435 eV
minimum distance =  2.52069630806344 Angstroms
sigma value = 1


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

Energy: 2.4572231377548452
Energy: 1.4842237849095818
Energy: 1.6054686993980338
Energy: 1.3797740657663322
Energy: 1.6027854763885625
Energy: 1.4658007142972027
Energy: 1.5641597358948192
Energy: 1.4658007143008953
Energy: 1.5021271904111695
Energy: 1.5336741140097374
Energy: 2.2465846222031383
Energy: 1.5336741140097374
Energy: 1.519127726065653
Energy: 1.4602963361904429
Energy: 1.5605515853853325
Energy: 1.4602963361904429
Energy: 2.2465315035853584
Energy: 1.480751851170112
Energy: 1.4862051824813687
Energy: 1.4807518511723279
Energy: 1.4947580148905284
Energy: 1.459861823724377
Energy: 1.4102321010830858
Energy: 1.4598618237236383
Energy: 1.638647272933208
Energy: 1.4587097169739474
Energy: 1.855158954904538
Energy: 1.4587097169732086
Energy: 1.415527905813917
Energy: 1.7736161950225058
Energy: 1.4326994196475535
Energy: 1.7736161950217673
Energy: 1.8566387598081193
Energy: 1.4396484709066497
Energy: 1.7163191712342654
Energy: 1.4396484709066497
Energy: 1.4278435571622305
Energy: 1.7473976644781959
Energy: 1.4300225507630326
Energy: 1.7473976644767186
Energy: 2.0360686376315074
Energy: 1.4618829061594631
Energy: 1.5452951747473187
Energy: 1.4618829061609402
Energy: 1.422951699861842
Energy: 1.4562266176908218
Energy: 1.495829701652711
Energy: 1.4562266176908218
Energy: 1.3901730179157707
Energy: 1.4596110149337604
Energy: 2.034027720113108
Energy: 1.4596110149344992
Energy: 1.5713907483665908
Energy: 1.4795946333237344
Energy: 1.4334347617954337
Energy: 1.4795946333237344
Energy: 2.460155015537639
Energy: 1.5531552400475714
Energy: 1.594247432168614
Energy: 1.5531552400483097
Energy: 1.5513268800322595
Energy: 1.4614610525790586
Energy: 1.5638251063657298
Energy: 1.4614610525775813
Energy: 1.5953530813427959
Energy: 1.5352121324739563
Energy: 2.2485106891247173
Energy: 1.5352121324754335
Energy: 1.5179960673339203
Energy: 1.4631345222488819
Energy: 1.6010057200572338
Energy: 1.4631345226083707
Energy: 2.2481577061446947
Energy: 1.4946648109744913
Energy: 1.5802896611113397
Energy: 1.4946648109752296
Energy: 1.4967262456552288
Energy: 1.4595400553888547
Energy: 1.4013419896759596
Energy: 1.4595400553859
Energy: 1.711353177619579
Energy: 1.4591384926097004
Energy: 1.855867217933627
Energy: 1.4591384926082234
Energy: 1.457615444458654
Energy: 1.5038047520289963
Energy: 1.4335207067205493
Energy: 1.503804752031212
Energy: 1.8568817458412146
Energy: 1.43886271798234
Energy: 1.784453502950522
Energy: 1.4388627179801243
Energy: 1.4276870648470101
Energy: 1.5773190607002927
Energy: 1.4997949597898022
Energy: 1.5773190606965999
Energy: 1.752994540957505
Energy: 1.4592741939274263
Energy: 1.544600639256271
Energy: 1.459274193929642
Energy: 1.414677230570508
Energy: 1.455911392425701
Energy: 1.4961335111453709
Energy: 1.4559113924249627
Energy: 1.4210576115190552
Energy: 1.4584952469841517
Energy: 1.7741812903752747
Energy: 1.4584952469841517
Energy: 1.5611679426043008
Energy: 1.4602366862664866
Energy: 1.4330532511010814
Energy: 1.4602366862657479
Energy: 1.9836612383973165
Energy: 1.512461691608889
Energy: 1.5005374801359561
Energy: 1.512461691608889

minimum gb energy = 1.3797740657663322 eV
minimum distance =  2.4412489402697 Angstroms
sigma value = 25


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

Energy: 2.2971562208044283
Energy: 1.6215784405766795
Energy: 1.7187150941629183
Energy: 1.5133327818888371
Energy: 1.6952679780041149
Energy: 1.605491067948498
Energy: 1.6526456450059235
Energy: 1.605491067948498
Energy: 1.5637518816362546
Energy: 1.6212504155172036
Energy: 2.066576181005895
Energy: 1.6212504155172036
Energy: 1.5597413453139433
Energy: 1.537078282331047
Energy: 1.656169940950317
Energy: 1.537078282331047
Energy: 2.0706515827036482
Energy: 1.5352412703294636
Energy: 1.5764901548277845
Energy: 1.5352412703294636
Energy: 1.57460320666462
Energy: 2.0060390480633448
Energy: 1.4876792329138826
Energy: 2.0060390480633448
Energy: 1.7537827507872836
Energy: 1.5441089728213828
Energy: 1.718288516325987
Energy: 1.5441089728213828
Energy: 1.5027269663622513
Energy: 1.8194148071526637
Energy: 1.5029434996877653
Energy: 1.8194148071526637
Energy: 1.6685445762911226
Energy: 1.5432739209199853
Energy: 1.8426330385290524
Energy: 1.5432739209199853
Energy: 1.5730455941554895
Energy: 1.5393677691776826
Energy: 1.5028896967362566
Energy: 1.5393677691768242
Energy: 2.30333055324345
Energy: 1.5349629108790406
Energy: 1.4434279484098171
Energy: 1.534962910879899
Energy: 1.5002192111859372
Energy: 1.5374781488455742
Energy: 1.6513829715034776
Energy: 1.5374781488455742
Energy: 1.6923592975091506
Energy: 1.7044388531234165
Energy: 2.3011012156686865
Energy: 1.7044388532195391
Energy: 1.6559403908505936
Energy: 1.574528042254532
Energy: 1.6373526905559497
Energy: 1.5745280422553907
Energy: 2.119735578754984
Energy: 1.620324542067632
Energy: 1.5679367303206149
Energy: 1.620324542067632
Energy: 1.703690713738578
Energy: 1.5359725075588524
Energy: 1.5860810573483883
Energy: 1.5359725075708726
Energy: 1.6858009160903813
Energy: 1.5353573795542628
Energy: 2.069742102119958
Energy: 1.5353573795542628
Energy: 1.511709777821627
Energy: 2.0067872819743195
Energy: 1.577717359059154
Energy: 2.0067872819751784
Energy: 1.7530067879135531
Energy: 1.5416671242915676
Energy: 1.6160340078129258
Energy: 1.5416671242915676
Energy: 1.506606926920264
Energy: 1.602782699089836
Energy: 1.548586910960215
Energy: 1.6027826990889773
Energy: 1.9610604938559506
Energy: 1.5597976734556838
Energy: 1.6675862271028281
Energy: 1.5597976734556838
Energy: 1.5929055359709987
Energy: 1.5391395974963966
Energy: 1.5689268572087933
Energy: 1.5391395974963966
Energy: 1.4642495663722046
Energy: 1.5353299518119055
Energy: 1.9384962148097096
Energy: 1.5353299518119055
Energy: 1.65024617648294
Energy: 1.537375926430051
Energy: 1.500249201238475
Energy: 1.5373759264317681
Energy: 1.4914951807495256
Energy: 1.5563527034334577
Energy: 1.5846614032686837
Energy: 1.5563527034334577

minimum gb energy = 1.4434279484098171 eV
minimum distance =  2.4470198226884 Angstroms
sigma value = 9


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

Energy: 2.2723440595778923
Energy: 1.7556008527121678
Energy: 1.8486599160352493
Energy: 1.6579612290499148
Energy: 1.8314504613367535
Energy: 1.7136769176432824
Energy: 1.8319517954272893
Energy: 1.7136769176432824
Energy: 1.7475186177470472
Energy: 1.7047845173468574
Energy: 2.700347279427062
Energy: 1.7047845173468574
Energy: 1.6546260836003184
Energy: 1.7153837492846749
Energy: 1.7780642016481376
Energy: 1.7153837492017587
Energy: 1.9443179915635231
Energy: 1.6492245861812642
Energy: 1.77228231377799
Energy: 1.6492245861812642
Energy: 1.7655563608474805
Energy: 1.761201442995648
Energy: 1.6689190679956531
Energy: 1.7612014430048664
Energy: 1.771145224520449
Energy: 1.6537886147264385
Energy: 1.9036233160215437
Energy: 1.6537886147274625
Energy: 1.6039265892769565
Energy: 1.921303497906203
Energy: 1.6510044883316468
Energy: 1.921303497906203
Energy: 1.6529973152911912
Energy: 1.708171665055058
Energy: 2.279357562992945
Energy: 1.7081716650560823
Energy: 1.7535416660998253
Energy: 1.804611429921401
Energy: 1.6645972329434107
Energy: 1.804611429921401
Energy: 2.0610522011133607
Energy: 1.5949886986547943
Energy: 1.5516271049849517
Energy: 1.59498869865377
Energy: 1.7119450471684141
Energy: 1.5983413891543903
Energy: 1.7103305682538001
Energy: 1.5983413891543903
Energy: 1.840173710311649
Energy: 1.81300368989355
Energy: 2.703553346991509
Energy: 1.8130036898925257
Energy: 1.8077326642296567
Energy: 1.7448162339463955
Energy: 1.8022172447092355
Energy: 1.7448162339453712
Energy: 1.9449041832413716
Energy: 1.6382513491561874
Energy: 1.7469917273757092
Energy: 1.6382513491572117
Energy: 1.7650320616418202
Energy: 1.8285124778965085
Energy: 1.6468765664686313
Energy: 1.8285124778965085
Energy: 1.9288838777527488
Energy: 1.6935143708657443
Energy: 1.8795305320451083
Energy: 1.6935143708657443
Energy: 1.7042647127667307
Energy: 1.7915951439409072
Energy: 1.680091450001573
Energy: 1.7915951439398832
Energy: 1.6151851573315916
Energy: 1.6271971359872166
Energy: 1.9879163384681762
Energy: 1.6271971359872166
Energy: 1.699171119937282
Energy: 1.658124842986745
Energy: 1.6735966813222949
Energy: 1.6581248429877693
Energy: 1.7033601383750372
Energy: 1.7085043916571205
Energy: 1.7041716172937666
Energy: 1.7085043916581446

minimum gb energy = 1.5516271049849517 eV
minimum distance =  2.42302657690177 Angstroms
sigma value = 25


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

Energy: 1.6969975410419735
Energy: 1.7470105568915257
Energy: 1.748693223608157
Energy: 1.655705964086681
Energy: 2.1339734189321833
Energy: 1.7170328323213815
Energy: 1.8389368350167095
Energy: 1.7170328323213815
Energy: 1.7104204738888733
Energy: 1.7094067268871798
Energy: 2.193204710089261
Energy: 1.7094067268871798
Energy: 1.7071063788888388
Energy: 1.926984674862293
Energy: 1.8389252414828945
Energy: 1.926984674862293
Energy: 1.5765552958144462
Energy: 1.7240147523421179
Energy: 1.7415085101027876
Energy: 1.7240147523421179
Energy: 1.7818718979121766
Energy: 1.9017031669710427
Energy: 1.7182409947005592
Energy: 1.9017031669710427
Energy: 1.7051299427793352
Energy: 1.7302549156556624
Energy: 1.5790486951291598
Energy: 1.7302549156556624
Energy: 1.7731296638408045
Energy: 1.6084507084577486
Energy: 1.6364702507871978
Energy: 1.6084507084615485
Energy: 1.758488890802197
Energy: 1.6203585127110751
Energy: 2.2765403417901964
Energy: 1.6203585127060087
Energy: 1.916707880372362
Energy: 1.6193504102666094
Energy: 1.7774462613807904
Energy: 1.6193504102653429
Energy: 2.1982969061757154
Energy: 1.7083232080581117
Energy: 1.714274686377584
Energy: 1.7083232080593784
Energy: 1.8752193138700812
Energy: 1.9904240109585043
Energy: 1.7070187777229098
Energy: 1.990424010959771
Energy: 1.6482646944642736
Energy: 1.6372071329209847
Energy: 1.5778858463726022
Energy: 1.637207132919718
Energy: 1.807756888104001
Energy: 1.7398597690322297
Energy: 1.782671486950334
Energy: 1.739859769030963
Energy: 1.5774023059191975
Energy: 1.717238826640926
Energy: 1.9766228991565251
Energy: 1.717238826640926
Energy: 1.6361669891868598
Energy: 1.6052960697556113
Energy: 1.9742053380103748
Energy: 1.6052960691339688
Energy: 1.7821383292250232
Energy: 1.61960116909574
Energy: 1.7619983437200437
Energy: 1.61960116909574

minimum gb energy = 1.5765552958144462 eV
minimum distance =  2.46066877539988 Angstroms
sigma value = 17


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

Energy: 2.545049250819847
Energy: 1.933533753655108
Energy: 1.9148913673187333
Energy: 1.7330990869843395
Energy: 2.0355324346237746
Energy: 2.0510587709911237
Energy: 1.9720759954401827
Energy: 2.0510587709918404
Energy: 1.5913875744012311
Energy: 1.59340877662095
Energy: 2.2640494097037367
Energy: 1.59340877662095
Energy: 1.6939497301243795
Energy: 1.904127306843129
Energy: 1.9180834534888822
Energy: 1.9041273068438462
Energy: 1.788239384890832
Energy: 1.8307060427854622
Energy: 1.588455654551019
Energy: 1.8307060427861799
Energy: 1.904715432202233
Energy: 1.9601686118745703
Energy: 1.7970714756818031
Energy: 1.9601686118738533
Energy: 1.9857258190846543
Energy: 1.713794740595457
Energy: 1.719591639043444
Energy: 1.713794740595457
Energy: 1.9156019906834343
Energy: 1.6843828074994631
Energy: 1.8199938912111744
Energy: 1.6843828075001808
Energy: 1.9029102762979828
Energy: 1.987669502342003
Energy: 2.322486951953842
Energy: 1.987669502347742
Energy: 1.8765389702224107
Energy: 2.0306843320303343
Energy: 1.9542055558599136
Energy: 2.0306843320303343
Energy: 1.7860539731741312
Energy: 1.7004460446862089
Energy: 1.7427889470095297
Energy: 1.700446044686926
Energy: 1.922789527128387
Energy: 1.9725438486119045
Energy: 1.5636154509399585
Energy: 1.9725438486111868
Energy: 2.077614436305415
Energy: 1.6572760585524227
Energy: 1.52643799813156
Energy: 1.6572760585495532
Energy: 1.9868752815378765
Energy: 1.902243336324469
Energy: 1.8032906324221691
Energy: 1.9022433363251867
Energy: 1.902338575748639
Energy: 1.960804696667465
Energy: 2.3303713338888707
Energy: 1.9608046966667476
Energy: 2.0045724946739854
Energy: 1.9310633980516427
Energy: 2.3221813158975704
Energy: 1.9310633980530778
Energy: 2.278591889670677
Energy: 1.906471472330396
Energy: 1.8491794300773117
Energy: 1.9064714723296785
Energy: 2.2206982114217917
Energy: 1.7014594371881173
Energy: 1.5914669802236592
Energy: 1.7014594371881173
Energy: 1.9031995728994284
Energy: 1.8754337205492553
Energy: 1.9028509091033516
Energy: 1.8754337205492553
Energy: 1.5873551969242223
Energy: 1.864299466989571
Energy: 1.9395378816624607
Energy: 1.864299466989571
Energy: 1.6355949820934914
Energy: 2.1796993563281264
Energy: 1.9118446406456933
Energy: 2.1796993563274087
Energy: 1.7199056084165527
Energy: 1.5934166472351152
Energy: 1.9787343712802286
Energy: 1.5934166472494626
Energy: 1.9223996336890516
Energy: 2.010310628284878
Energy: 1.977235963558571
Energy: 2.0103106282841607
Energy: 2.2648357702903636
Energy: 1.9870538357784422
Energy: 1.8905358900163987
Energy: 1.987053835777725
Energy: 1.8067941705294648
Energy: 2.0569549921222987
Energy: 1.800581995911208
Energy: 2.0569549921215815
Energy: 1.653282864937122
Energy: 1.6394102066406357
Energy: 1.7922478665779755
Energy: 1.6394102066406357
Energy: 1.8136869762620658
Energy: 2.0757520926698176
Energy: 1.9417467258075434
Energy: 2.0757520926698176
Energy: 1.5326767807429684
Energy: 1.6722576015743587
Energy: 1.9832292097687532
Energy: 1.6722576015793802
Energy: 1.9804462595478747
Energy: 1.92299726800398
Energy: 1.8138447382118577
Energy: 1.9229972680025451
Energy: 2.54681666786391
Energy: 1.9326032358326304
Energy: 1.8997025012188924
Energy: 1.9326032358333478

minimum gb energy = 1.52643799813156 eV
minimum distance =  2.50327440388215 Angstroms
sigma value = 53


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

Energy: 2.2256462845842973
Energy: 1.9747184263809197
Energy: 1.7062663298839407
Energy: 1.8658054869451834
Energy: 1.6763542053380027
Energy: 1.7106792075797286
Energy: 2.0427198254651833
Energy: 1.7106792060444878
Energy: 1.7060970775590785
Energy: 1.9749643213054178
Energy: 1.7762897318123636
Energy: 1.9749643213054178
Energy: 1.8375755134995297
Energy: 2.0913715165880107
Energy: 2.041520706410778
Energy: 2.0913715165896622
Energy: 1.782822555828662
Energy: 1.4109413534895436
Energy: 1.3280672776065885
Energy: 1.4109413534895436
Energy: 1.6506156679326036
Energy: 1.636764825570877
Energy: 1.4727368883426433
Energy: 1.636764825570877
Energy: 2.234912296030201
Energy: 1.7279693767959683
Energy: 1.726016736883849
Energy: 1.7279693767959683
Energy: 1.9644714078197423
Energy: 2.1979125482153146
Energy: 2.0543002576387916
Energy: 2.1979125482153146
Energy: 1.7335150674048505
Energy: 1.972620701077589
Energy: 1.7791004039505705
Energy: 1.9726207010759376
Energy: 1.6752795586967721
Energy: 1.7114911491801785
Energy: 2.041441881810393
Energy: 1.711491149178527
Energy: 1.7804797254625173
Energy: 1.6368053519271941
Energy: 1.4746414631178464
Energy: 1.6368053519255426
Energy: 1.7165963850885293
Energy: 1.6368642170245884
Energy: 1.3323521649818693
Energy: 1.6368642170245884
Energy: 2.042762090137847
Energy: 1.8378180801412667
Energy: 1.730745474523594
Energy: 1.8378180801412667

minimum gb energy = 1.3280672776065885 eV
minimum distance =  2.47665330378581 Angstroms
sigma value = 9


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

Energy: 2.1212925380098544
Energy: 2.0701775945090346
Energy: 2.0465931596515343
Energy: 1.9997101263422723
Energy: 2.0317737966952114
Energy: 2.0994385508279048
Energy: 2.118390456487485
Energy: 2.0994385508272937
Energy: 1.5610118567773854
Energy: 1.9261658400732142
Energy: 1.9507671799420534
Energy: 1.9261658400732142
Energy: 1.6884531453777558
Energy: 1.9944423221560728
Energy: 2.11272763358078
Energy: 1.9944423221554617
Energy: 1.5605524175996528
Energy: 1.5908968020207108
Energy: 2.210141919816227
Energy: 1.5908968020194882
Energy: 1.6916587044212927
Energy: 1.8728589717074842
Energy: 2.128074129002638
Energy: 1.8728589717068729
Energy: 2.36612609593557
Energy: 2.127545679505155
Energy: 2.044654980231844
Energy: 2.1275456795020986
Energy: 2.3535459610672174
Energy: 2.1668633537209523
Energy: 2.0135402245532616
Energy: 2.1668633537209523
Energy: 1.7854479374528711
Energy: 1.9484024663285084
Energy: 1.674590418754212
Energy: 1.9484024663285084
Energy: 1.4742799064171126
Energy: 1.9150502762334607
Energy: 2.0517693662574117
Energy: 1.9150502762334607
Energy: 1.7479963962659852
Energy: 1.919967328209534
Energy: 2.264180142070447
Energy: 1.9199673282107563
Energy: 1.8105322590504374
Energy: 1.961433345460265
Energy: 2.1276131833028438
Energy: 1.961433345460265
Energy: 2.345674445102836
Energy: 2.1791393943229047
Energy: 1.9620764302329816
Energy: 2.1791393943229047
Energy: 2.3702840896030426
Energy: 1.9076735678606127
Energy: 1.763267334366903
Energy: 1.9076735678581678
Energy: 2.0506783494960144
Energy: 2.1134515542646555
Energy: 1.8537113813614254
Energy: 2.1134515542640444
Energy: 1.778783220724175
Energy: 1.8747605760644408
Energy: 1.6372547966498499
Energy: 1.8747605760644408
Energy: 1.9844660532429714
Energy: 2.0015618950813887
Energy: 2.1037012529345764
Energy: 2.0015618950789436
Energy: 2.00022728488427
Energy: 2.0828586530020727
Energy: 2.1225168933829233
Energy: 2.08285865300085
Energy: 2.081482880253317
Energy: 2.128703327483326
Energy: 1.985908984147377
Energy: 2.1287033274814924
Energy: 1.949550167232956
Energy: 1.9191634208190376
Energy: 1.5525109816115827
Energy: 1.9191634208190376
Energy: 2.172488598934106
Energy: 1.923686272239892
Energy: 1.5937800421521187
Energy: 1.9236862722386694
Energy: 2.207348707421783
Energy: 1.6417351470653707
Energy: 1.5594532458523829
Energy: 1.6417351470672044
Energy: 2.1355346429546995
Energy: 1.8588305336897368
Energy: 1.7084096591393614
Energy: 1.8588305336903483
Energy: 2.042517400463064
Energy: 2.020161533569169
Energy: 2.3707001672407166
Energy: 2.0201615335813945
Energy: 2.0077014750558657
Energy: 2.1659477484015
Energy: 2.382717858627571
Energy: 2.1659477484015
Energy: 1.6757969262409738
Energy: 1.9517754348156837
Energy: 1.7824925473290556
Energy: 1.9517754348150724
Energy: 2.016032200691875
Energy: 1.698839577844521
Energy: 1.4725869655296286
Energy: 1.6988395778426872
Energy: 2.183873391887275
Energy: 1.9884981720122898
Energy: 1.7084895252204262
Energy: 1.9884981720135124
Energy: 2.1243140412932853
Energy: 2.0451854697962752
Energy: 1.8326370236121545
Energy: 2.0451854697956637
Energy: 1.9630842170972138
Energy: 2.1374510020975754
Energy: 2.3787027170827106
Energy: 2.1374510020981865
Energy: 1.759027754839277
Energy: 1.9082568283007217
Energy: 1.9553809449812753
Energy: 1.9082568282989436
Energy: 1.7652694787613379
Energy: 1.9734046968445857
Energy: 2.0539876816980187
Energy: 1.9734046968445857
Energy: 1.6364868070607992
Energy: 1.8948873500992185
Energy: 1.7830789556791649
Energy: 1.8948873500986072
Energy: 2.120738817737841
Energy: 2.0025343823128567
Energy: 1.9096277421770915
Energy: 2.0025343823128567
Energy: 2.1252523655772158
Energy: 2.012143157974173
Energy: 1.9996108586101333
Energy: 2.0121431579729503

minimum gb energy = 1.4725869655296286 eV
minimum distance =  2.46538572930759 Angstroms
sigma value = 73


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

Energy: 2.170231993257292
Energy: 1.9916899890306432
Energy: 1.9237140504394161
Energy: 1.8860593817877358
Energy: 1.969587628935866
Energy: 2.1268364697244833
Energy: 2.21937288259182
Energy: 2.126836469725453
Energy: 1.7322428521998365
Energy: 2.0792406062445994
Energy: 1.8634899097922735
Energy: 2.0792406062436295
Energy: 1.6831441283636441
Energy: 1.8474379057546242
Energy: 2.072914419711775
Energy: 1.847437905755594
Energy: 1.6211108167511632
Energy: 1.9718825783109029
Energy: 2.363119545162854
Energy: 1.9718825783099332
Energy: 1.9247241105557147
Energy: 2.0071150078887032
Energy: 2.088337128015292
Energy: 2.007115007889673
Energy: 2.5574571357810227
Energy: 2.1525416316764487
Energy: 1.9985072383461808
Energy: 2.1525416316764487
Energy: 2.2257293866281445
Energy: 1.9834932181822715
Energy: 1.9480011438835783
Energy: 1.9834932181822715
Energy: 2.0760746192817465
Energy: 1.846023019411509
Energy: 1.9226873055713865
Energy: 1.846023019412479
Energy: 1.610130612857812
Energy: 1.93979168132723
Energy: 1.9696526450659362
Energy: 1.93979168132723
Energy: 1.7483129089640115
Energy: 1.9628003321052643
Energy: 1.9957182430388658
Energy: 1.9628003321042946
Energy: 1.8490612122906478
Energy: 1.8084441085430343
Energy: 1.9900580825616732
Energy: 1.8084441085546719
Energy: 1.9116949972439985
Energy: 2.020505028513683
Energy: 1.8997761431763018
Energy: 2.020505028512713
Energy: 1.8612203655791875
Energy: 1.9137121084935134
Energy: 1.7873567236856622
Energy: 1.9137121084925437
Energy: 2.0693895192966703
Energy: 1.9854276933516637
Energy: 1.6908949568680094
Energy: 1.9854276933516637
Energy: 2.179247620310618
Energy: 1.954795546774054
Energy: 1.6698454589124772
Energy: 1.954795546775024
Energy: 2.1787079996391157
Energy: 2.0688215163916133
Energy: 1.9636382062820452
Energy: 2.068821516389674
Energy: 1.9820162536788801
Energy: 2.0919684104419805
Energy: 2.5505347599974773
Energy: 2.0919684104429503
Energy: 1.9443675394278026
Energy: 2.023184682401315
Energy: 2.119550957481083
Energy: 2.023184682400345
Energy: 1.7594829320177818
Energy: 1.8460519200116967
Energy: 2.034253851269596
Energy: 1.8460519200116967
Energy: 2.009861402003763
Energy: 1.9826197846547793
Energy: 1.6845710111091532
Energy: 1.9826197846557492
Energy: 2.1710427993619175
Energy: 2.0751946808729373
Energy: 1.906364745244372
Energy: 2.0751946808729373

minimum gb energy = 1.610130612857812 eV
minimum distance =  2.45062963197589 Angstroms
sigma value = 7


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

Energy: 2.393317032394351
Energy: 1.9628928196055246
Energy: 1.9480923982289091
Energy: 1.8750556243981917
Energy: 2.087834446855422
Energy: 2.1098899854296675
Energy: 2.0134843834149123
Energy: 2.1098899854282966
Energy: 1.65301938182008
Energy: 1.8980261679727053
Energy: 1.6936307222966225
Energy: 1.8980261679685906
Energy: 1.6203143511138933
Energy: 1.8823528913885879
Energy: 1.9486849657124485
Energy: 1.8823528913913306
Energy: 1.747135844086585
Energy: 1.9574714497492685
Energy: 1.8805220378496443
Energy: 1.9574714497492685
Energy: 1.88581177349664
Energy: 1.9959081319953518
Energy: 1.88278215955141
Energy: 1.9959081319926089
Energy: 2.1390077248798653
Energy: 2.0879458638067887
Energy: 1.898989497673221
Energy: 2.0879458638067887
Energy: 2.122137595171775
Energy: 1.918824099066128
Energy: 1.7635134783218327
Energy: 1.9188240990640708
Energy: 1.9474220261696864
Energy: 1.9081875111012059
Energy: 1.5757690564470024
Energy: 1.9081875110970914
Energy: 1.869493852877577
Energy: 1.944861102026293
Energy: 1.8461582513003911
Energy: 1.944861102026293
Energy: 2.0737285246232555
Energy: 2.1474611807106196
Energy: 2.108930388231347
Energy: 2.147461180711991
Energy: 1.9275716253975996
Energy: 2.1111040960712653
Energy: 2.1340850312110544
Energy: 2.1111040960678364
Energy: 1.7666548319100899
Energy: 1.9326257686035773
Energy: 1.8868389461408368
Energy: 1.9326257686022055
Energy: 1.7008189364779165
Energy: 1.8965539930362185
Energy: 1.5718857270566993
Energy: 1.8965539930355326
Energy: 1.9885699977840308
Energy: 1.8628573091389766
Energy: 1.6062488181951164
Energy: 1.8628573091430913
Energy: 2.398651333199852
Energy: 1.9975630141417224
Energy: 1.9260082662004288
Energy: 1.9975630141444656
Energy: 2.3712545013602515
Energy: 2.110705927374665
Energy: 2.018799602797566
Energy: 2.110705927379465
Energy: 1.8545303382492233
Energy: 1.8926264856355488
Energy: 1.6916998522829385
Energy: 1.8926264856362345
Energy: 1.5718364558757887
Energy: 1.8204765757060728
Energy: 1.949272398630932
Energy: 1.8204765757101875
Energy: 1.7248416528936823
Energy: 1.9109936062793826
Energy: 2.169552101610424
Energy: 1.9109936062780108
Energy: 1.8521608090013038
Energy: 2.071327491357445
Energy: 1.8749966308444574
Energy: 2.0713274913581308
Energy: 2.109294777398286
Energy: 1.9967438011552916
Energy: 1.8871354585189948
Energy: 1.9967438011580345
Energy: 2.0994385867108467
Energy: 1.8440021773047943
Energy: 1.7627462365505728
Energy: 1.844002177303423
Energy: 1.9523605300095697
Energy: 1.8992172048847522
Energy: 1.6219599154007076
Energy: 1.8992172048895524
Energy: 1.8715641835627634
Energy: 1.9304107758467743
Energy: 1.7583223437811493
Energy: 1.93041077584746
Energy: 1.970989714494103
Energy: 2.1061112321490176
Energy: 2.118179915630466
Energy: 2.1061112321497033
Energy: 1.9276494072045096
Energy: 2.0404724299872723
Energy: 2.1278893501287524
Energy: 2.040472429985901
Energy: 1.8852047383905417
Energy: 1.9410671131352777
Energy: 2.1995784423558646
Energy: 1.9410671131359636
Energy: 1.6956719563117173
Energy: 1.8744149700939954
Energy: 1.8810462249274404
Energy: 1.8744149700953667
Energy: 1.994755351341093
Energy: 1.9392833688324833
Energy: 1.5708097229244737
Energy: 1.9392833688290547
Energy: 2.342413984040763
Energy: 2.0696122316594545
Energy: 1.9473806733265153
Energy: 2.0696122316601397

minimum gb energy = 1.5708097229244737 eV
minimum distance =  2.44732097987802 Angstroms
sigma value = 29


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

Energy: 1.3461692354025367
Energy: 1.6975238075265806
Energy: 1.638063667860941
Energy: 1.3474536797325063
Energy: 1.9391563466903878
Energy: 1.8793522073483806
Energy: 1.373947908195791
Energy: 1.8793522073483806
Energy: 1.6240062322023288
Energy: 1.7754710307208825
Energy: 1.6392660476367265
Energy: 1.775471030718547
Energy: 1.6486855099545756
Energy: 1.3744050727768005
Energy: 1.3698964372144982
Energy: 1.374405072774465
Energy: 1.6602036264821207
Energy: 1.6248145104596983
Energy: 1.3474483721475183
Energy: 1.6248145104596983
Energy: 1.6665266749596104
Energy: 1.7293845908963987
Energy: 1.347465321526976
Energy: 1.7293845908963987
Energy: 1.3600612723811765
Energy: 1.7762896008570583
Energy: 1.9588627951235067
Energy: 1.7762896008570583
Energy: 1.4749576466392296
Energy: 1.6262834383590419
Energy: 1.6455757197089744
Energy: 1.6262834383590419
Energy: 1.6697570560761394
Energy: 1.6229032705139714
Energy: 1.737121635557513
Energy: 1.6229032705163071

minimum gb energy = 1.3461692354025367 eV
minimum distance =  2.50438326607454 Angstroms
sigma value = 5


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

Energy: 1.8452121610504124
Energy: 2.1196852381298386
Energy: 1.9575539908225577
Energy: 2.08867492968586
Energy: 2.147283905188097
Energy: 1.7534073814298403
Energy: 1.7291001873862168
Energy: 1.7534073814291926
Energy: 1.6645060164524461
Energy: 1.892196226279826
Energy: 1.636958663604052
Energy: 1.8921962262811214
Energy: 1.416452461399859
Energy: 1.6173091945119615
Energy: 1.88459611575421
Energy: 1.6173091945126095
Energy: 2.11729192251603
Energy: 2.029132159187312
Energy: 2.116305051506843
Energy: 2.029132159187312
Energy: 1.8968992925666934
Energy: 1.767119459726109
Energy: 2.125898194074716
Energy: 1.767119459726109
Energy: 1.3911504144192957
Energy: 1.3913213743090003
Energy: 1.8991311586133641
Energy: 1.391321374309648
Energy: 1.4079028618506189
Energy: 1.9758180811928188
Energy: 1.852541900377746
Energy: 1.9758180811934665
Energy: 2.0614666146078826
Energy: 1.9138771925456568
Energy: 1.9776565171485871
Energy: 1.9138771925450087
Energy: 1.628094010882492
Energy: 2.061907690680655
Energy: 1.700639281402002
Energy: 2.0619076906800067
Energy: 1.963456329440093
Energy: 1.5428799628152734
Energy: 1.3721742975814206
Energy: 1.5428799628152734
Energy: 2.01442591325501
Energy: 1.7180251209742392
Energy: 1.6210997120930408
Energy: 1.7180251209742392
Energy: 1.857363784019708
Energy: 2.0723322069555548
Energy: 2.0304347149033446
Energy: 2.0723322069549073
Energy: 1.8892993009667693
Energy: 1.9043392349048018
Energy: 1.6372531369630168
Energy: 1.9043392349035062
Energy: 1.4646742844533482
Energy: 1.8945362822444307
Energy: 1.7329940396949872
Energy: 1.8945362822444307
Energy: 1.4007198442138413
Energy: 1.5849259229200228
Energy: 2.071248423592485
Energy: 1.5849259229239094
Energy: 1.945161339652267
Energy: 2.0391267419707892
Energy: 2.341113622922301
Energy: 2.0391267419701413
Energy: 1.7321869159674708
Energy: 1.7533399963963956
Energy: 1.9472944015978961
Energy: 1.7533399963951
Energy: 1.6324323797018563
Energy: 1.892542554973381
Energy: 1.6636255143419039
Energy: 1.892542554973381
Energy: 1.8818692869552336
Energy: 1.7718992930915223
Energy: 1.4111463764544305
Energy: 1.7718992930856923
Energy: 2.1983183259001984
Energy: 1.9740984513224704
Energy: 2.12081678557031
Energy: 1.9740984513205269
Energy: 2.101509753744015
Energy: 2.094782855452734
Energy: 1.8981630643230396
Energy: 2.0947828554540293
Energy: 1.9140801020718037
Energy: 1.3912712328457189
Energy: 1.3934121756199784
Energy: 1.3912712328470145
Energy: 1.855033908110111
Energy: 1.8499664966885716
Energy: 1.4084432052565403
Energy: 1.8499664966885716
Energy: 1.8856965159148127
Energy: 1.9137606578599609
Energy: 2.0902473030743955
Energy: 1.9137606578606088
Energy: 1.6645078264557547
Energy: 2.0686151953116907
Energy: 1.6282943790353848
Energy: 2.0686151953116907
Energy: 1.3906999098593207
Energy: 1.7091043123171628
Energy: 1.953820414735557
Energy: 1.7091043123165148
Energy: 1.3966477841635743
Energy: 1.5415355009139549
Energy: 2.190608350176458
Energy: 1.5415355009126592
Energy: 1.8592884430893923
Energy: 2.062170164219847
Energy: 1.8510770806254464
Energy: 2.062170164219847
Energy: 1.6605534262360195
Energy: 1.883580107265915
Energy: 1.895104751517307
Energy: 1.8835801072665628
Energy: 1.6616849116168693
Energy: 1.9194582079783664
Energy: 1.4698728137410522
Energy: 1.9194582079783664
Energy: 2.071382453405176
Energy: 1.391735346670602
Energy: 1.3960908688365958
Energy: 1.3917353466712497
Energy: 2.3460307244753102
Energy: 2.0130702375157083
Energy: 1.9213281468896761
Energy: 2.0130702375163563

minimum gb energy = 1.3721742975814206 eV
minimum distance =  2.42537941849269 Angstroms
sigma value = 1


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

Energy: 1.9522446983531303
Energy: 2.109534155006591
Energy: 1.814751813401325
Energy: 2.058409286953434
Energy: 2.139998890963382
Energy: 1.5940257119773573
Energy: 1.675556692779744
Energy: 1.5940257119782528
Energy: 1.6723789581633932
Energy: 1.8373721856862544
Energy: 1.6599784457495779
Energy: 1.8373721856853584
Energy: 1.353510100007127
Energy: 1.5930836958925523
Energy: 1.9848110456661214
Energy: 1.5930836958943435
Energy: 2.082292810944367
Energy: 1.6145708878657272
Energy: 2.300268268525724
Energy: 1.6145708878648315
Energy: 1.7691190997783985
Energy: 1.916997542167872
Energy: 2.301067080365877
Energy: 1.916997542167872
Energy: 1.32373032890685
Energy: 1.462418278314417
Energy: 1.9386887348150477
Energy: 1.4624182783135213
Energy: 1.3252397610013091
Energy: 1.573503464294658
Energy: 1.9604772683311347
Energy: 1.5735034637171987
Energy: 2.1485755424141004
Energy: 1.8644764248746104
Energy: 2.0116396524933777
Energy: 1.864476424875506
Energy: 1.6519782750830214
Energy: 1.9565055193264538
Energy: 1.3281235233666882
Energy: 1.9565055193247034
Energy: 2.15346771362351
Energy: 1.603744168484491
Energy: 1.3246289602605104
Energy: 1.6037441684862823
Energy: 2.108450624071914
Energy: 1.3257690479926518
Energy: 1.536689256552508
Energy: 1.3257690479917563
Energy: 1.9589698841847731
Energy: 1.7146151709485264
Energy: 2.0452312732141316
Energy: 1.7146151709494222
Energy: 1.7391638577766872
Energy: 1.593531840027281
Energy: 1.6778366485384733
Energy: 1.5935318400281766
Energy: 1.3577780493491243
Energy: 1.8848838828509114
Energy: 1.6835986506497536
Energy: 1.8848838828500156
Energy: 1.3481073935957677
Energy: 1.6649726661515747
Energy: 1.936146755508288
Energy: 1.6649726661515747
Energy: 1.8661437975763548
Energy: 2.111081015365598
Energy: 2.300140516048499
Energy: 2.111081015362911
Energy: 1.5160796922583202
Energy: 1.3264077347574064
Energy: 2.1827243370043723
Energy: 1.326407734758302
Energy: 1.3311326844355817
Energy: 1.875002074171182
Energy: 2.0670981313050594
Energy: 1.8750020741702862
Energy: 1.3245497318667738
Energy: 2.004563062772394
Energy: 1.959054364043248
Energy: 2.004563062774186
Energy: 1.6785727954960552
Energy: 2.0055811581117737
Energy: 1.9935403575947153
Energy: 2.005581158112669
Energy: 1.6510556569748691
Energy: 1.9962610217629932
Energy: 1.3285250204577606
Energy: 1.9962610217638888
Energy: 1.9916614992864514
Energy: 1.324519986795982
Energy: 1.3264834523654863
Energy: 1.3245199867977735
Energy: 1.9612346334190893
Energy: 1.7194809604582932
Energy: 1.8022374920840476
Energy: 1.71948096046098

minimum gb energy = 1.32373032890685 eV
minimum distance =  2.43184126118179 Angstroms
sigma value = 17


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

Energy: 2.076331933377706
Energy: 2.1750726569838488
Energy: 1.9537484043396716
Energy: 2.16708454068435
Energy: 2.180651009516341
Energy: 1.4968879961705772
Energy: 1.5480472311472961
Energy: 1.4968879961689667
Energy: 1.7524537395238167
Energy: 1.825869355755493
Energy: 1.5131720662645365
Energy: 1.825869355755493
Energy: 1.6930293371549052
Energy: 1.7580164429661573
Energy: 1.931560821239896
Energy: 1.7580164429666605
Energy: 2.118573441824397
Energy: 1.870164959354392
Energy: 1.9314267995994712
Energy: 1.8701649593588212
Energy: 1.5373548063693456
Energy: 1.6998081517628665
Energy: 2.1792076981623967
Energy: 1.6998081517623633
Energy: 1.294780754363739
Energy: 1.2928053964819795
Energy: 2.1830379513804727
Energy: 1.2928053964836907
Energy: 1.5530324535651971
Energy: 1.4181492020929385
Energy: 2.078788004995173
Energy: 1.4181489757300656
Energy: 1.9696752321679734
Energy: 1.7638547610497515
Energy: 2.273686729652731
Energy: 1.7638547610492483
Energy: 1.5043685447652555
Energy: 1.859573707378587
Energy: 1.5571170603558044
Energy: 1.8595737073796939
Energy: 1.9601750546181582
Energy: 1.5879154366867416
Energy: 1.321462973405693
Energy: 1.5879154367636406
Energy: 2.3168640628748034
Energy: 1.6198590520171052
Energy: 2.079725942362284
Energy: 1.6198590543798348
Energy: 2.293837976705813
Energy: 1.6105132700429463
Energy: 1.9187373651896953
Energy: 1.610513270044557
Energy: 2.0689141381074347
Energy: 1.3089944222318537
Energy: 1.3132007582554934
Energy: 1.308994422232357
Energy: 1.6970783534172291
Energy: 1.961699642034826
Energy: 1.3209165613584557
Energy: 1.961699642034826
Energy: 2.047809590602834
Energy: 1.880295543253773
Energy: 2.205064498300007
Energy: 1.8802955432532693
Energy: 1.3073950414188733
Energy: 2.0385840989838253
Energy: 1.8813710521144829
Energy: 2.038584098982718
Energy: 1.3280754770185044
Energy: 1.5614624593279536
Energy: 2.159601445664473
Energy: 1.5614624593296649
Energy: 1.3845567966989318
Energy: 1.3106432707183515
Energy: 2.2887964153950993
Energy: 1.3106432707172446
Energy: 1.9880615731518547
Energy: 2.0100689263110407
Energy: 2.074723774796787
Energy: 2.010068926351906
Energy: 1.546087849768335
Energy: 1.4983639670284745
Energy: 2.100186442399663
Energy: 1.4983639670284745
Energy: 1.5425930951015232
Energy: 1.8254044431445573
Energy: 1.747933376027407
Energy: 1.825404443144054
Energy: 1.9364295644759022
Energy: 1.7595549731331641
Energy: 1.7442005299507624
Energy: 1.759554973132661
Energy: 1.8892566012248666
Energy: 2.0808381531788185
Energy: 2.015783123062441
Energy: 2.0808381531788185
Energy: 2.1626638300189076
Energy: 1.6973173396279
Energy: 1.4204943788453597
Energy: 1.697317339627296
Energy: 2.2136042224339594
Energy: 1.2919360545578769
Energy: 1.2982722229144879
Energy: 1.2919360545589842
Energy: 2.074217243682656
Energy: 2.0952351210961506
Energy: 1.522095329757675
Energy: 2.0952351210978115
Energy: 2.278511799303946
Energy: 1.7582479007551157
Energy: 1.96895162880767
Energy: 1.7582479007557197
Energy: 1.5529095714032066
Energy: 1.8587132982936458
Energy: 1.5082165819244833
Energy: 1.8587132982925387
Energy: 1.3236544752161263
Energy: 1.4986375718906113
Energy: 1.9626442384639768
Energy: 1.498637571890108
Energy: 2.04817012804504
Energy: 1.9126772837314059
Energy: 2.2605991505781318
Energy: 1.9126772837325128
Energy: 1.8723086885958742
Energy: 1.4308608189356218
Energy: 2.2973919341397386
Energy: 1.4308608189162964
Energy: 1.3093535503865124
Energy: 1.3085883242827527
Energy: 2.0646811587069838
Energy: 1.3085883242821486
Energy: 1.330311802882525
Energy: 1.9649489822643684
Energy: 1.6921669399216912
Energy: 1.9649489822637645
Energy: 2.2264644624902377
Energy: 1.8775455958206462
Energy: 2.0449390863186476
Energy: 1.877545595820143
Energy: 1.8804886180815679
Energy: 2.0071399459551365
Energy: 1.3521977124861924
Energy: 2.007139945956244
Energy: 2.1616750769957376
Energy: 1.5199856468396171
Energy: 1.310140252110685
Energy: 1.5199856468424358
Energy: 2.2734085916380913
Energy: 1.3108824046685768
Energy: 1.5686279125473668
Energy: 1.3108824046707912

minimum gb energy = 1.2919360545578769 eV
minimum distance =  2.46775284182485 Angstroms
sigma value = 89


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

Energy: 2.156698956909812
Energy: 1.976772678888155
Energy: 1.6800661465901148
Energy: 1.7981565803355521
Energy: 1.7207591852582977
Energy: 1.509076296328687
Energy: 1.6457262298367925
Energy: 1.509076296328687
Energy: 1.1664717422150916
Energy: 1.776778643578823
Energy: 1.6693474288573207
Energy: 1.776778643578823
Energy: 1.1695323124750308
Energy: 1.505922706852518
Energy: 1.643186006078774
Energy: 1.505922706852518
Energy: 1.5682093511692365
Energy: 1.510048836110076
Energy: 1.6599773602499548
Energy: 1.5100488361086273
Energy: 1.5445689488797891
Energy: 1.4983893301226585
Energy: 1.6361958931584106
Energy: 1.4983893301226585
Energy: 1.175721051457763
Energy: 1.174519727322922
Energy: 1.6598495736811667
Energy: 1.174519727322922
Energy: 1.175978932354118
Energy: 1.486450764440737
Energy: 2.160948702816649
Energy: 1.486450764440737
Energy: 1.6320078830242264
Energy: 1.5092687994074776
Energy: 2.1155421098709204
Energy: 1.509268799408926
Energy: 1.6660872020732096
Energy: 1.7718719322700174
Energy: 1.6545495189457318
Energy: 1.771871932271466
Energy: 1.6434533582606874
Energy: 1.507370827235591
Energy: 1.1654700826384912
Energy: 1.507370827235591
Energy: 1.6379170229189395
Energy: 1.5121761804013647
Energy: 1.5686507259147497
Energy: 1.5121761804013647
Energy: 1.6676947975390053
Energy: 1.844290774127627
Energy: 1.5446118377357205
Energy: 1.844290774127627
Energy: 1.6450581938293014
Energy: 1.1743089601619385
Energy: 1.1746540786053667
Energy: 1.174308960163387
Energy: 2.0841350547589794
Energy: 1.4863370044742625
Energy: 1.1765629474829247
Energy: 1.486337004472814

minimum gb energy = 1.1654700826384912 eV
minimum distance =  2.4799233785137 Angstroms
sigma value = 13


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

Energy: 1.8842207605917367
Energy: 1.3780856367908167
Energy: 2.004231376765342
Energy: 1.4117980151346368
Energy: 2.1906291765514823
Energy: 1.3565471911469547
Energy: 1.3763210277543032
Energy: 1.356547191225824
Energy: 1.9246151970172667
Energy: 1.6133935111978004
Energy: 1.321598574492693
Energy: 1.6133935111929436
Energy: 1.4698416201287157
Energy: 1.8269210579277948
Energy: 1.370849522607187
Energy: 1.8269210579314374
Energy: 1.9561796964463474
Energy: 1.7750935078330448
Energy: 1.759388921599896
Energy: 1.7750935078312235
Energy: 1.3742322138060612
Energy: 1.6347023870376447
Energy: 1.7531867773907857
Energy: 1.634702387040073
Energy: 1.3697901674459678
Energy: 1.3643471508871994
Energy: 2.095501584387853
Energy: 1.3643471508908422
Energy: 1.8839035549655627
Energy: 1.283337399388201
Energy: 2.1478663961034776
Energy: 1.283337399386987
Energy: 1.2860325016093803
Energy: 1.271608062027516
Energy: 2.1515110842961236
Energy: 1.271608062026909
Energy: 1.1647062493550024
Energy: 1.1602854139857781
Energy: 2.0631274216435136
Energy: 1.1602854139815282
Energy: 1.531213251861305
Energy: 1.2563454767603621
Energy: 1.8840528767513396
Energy: 1.256345476764612
Energy: 1.7549723411674227
Energy: 1.6688231343085163
Energy: 2.1101884735799
Energy: 1.668823134307909
Energy: 1.7664498690115096
Energy: 1.7256433755250304
Energy: 1.7642240839239811
Energy: 1.7256433755219949
Energy: 1.9619141670275868
Energy: 1.6657359521386237
Energy: 1.4708982568489721
Energy: 1.6657359521361952
Energy: 2.1147024887577976
Energy: 1.7450985427411574
Energy: 1.624357579681823
Energy: 1.745098542738729
Energy: 2.020802196273864
Energy: 1.2612615527536868
Energy: 1.1593894285694477
Energy: 1.2612615527512583
Energy: 2.101405943944202
Energy: 1.160470036912836
Energy: 1.1657537952599282
Energy: 1.1604700369152643
Energy: 1.8875268994358905
Energy: 1.3783884360384169
Energy: 1.3754366672809866
Energy: 1.3783884358102534
Energy: 2.1303410460024406
Energy: 1.363341867326853
Energy: 1.4998024268557317
Energy: 1.3633418729170845
Energy: 2.0175103908292344
Energy: 1.61371248387124
Energy: 1.3136979774843063
Energy: 1.6137124838694186
Energy: 1.4658683287489582
Energy: 1.7290643142307627
Energy: 1.3685046822795175
Energy: 1.7290643142325288
Energy: 1.923224007858224
Energy: 1.7760723497991309
Energy: 1.753427826208639
Energy: 1.7760723497997382
Energy: 1.382368324950492
Energy: 1.6601662077770076
Energy: 1.6865029128450633
Energy: 1.660166207777615
Energy: 1.1572207881199024
Energy: 1.3670225260000937
Energy: 2.06839430615396
Energy: 1.3670225259928637
Energy: 1.9556038357179018
Energy: 1.2906598313285755
Energy: 2.119208004341978
Energy: 1.2906598317133189
Energy: 1.2700723734153943
Energy: 1.4805599362031272
Energy: 2.090778890833722
Energy: 1.480559936207377
Energy: 1.1609533943278405
Energy: 1.1601660494605164
Energy: 2.0639372053490144
Energy: 1.1601660494605164
Energy: 1.2547206764891128
Energy: 1.1628643664790572
Energy: 1.8877560397295146
Energy: 1.162864366481486
Energy: 1.7917582723679835
Energy: 1.6725689511059356
Energy: 2.1030425480901944
Energy: 1.6725689511047215
Energy: 1.3128319348971644
Energy: 1.7388445342725218
Energy: 1.767932053872549
Energy: 1.738844534268272
Energy: 1.7751829061990758
Energy: 1.6718273205121297
Energy: 1.4668318876702495
Energy: 1.671827320513951
Energy: 2.019438681686099
Energy: 1.7591883219039677
Energy: 2.070823817829991
Energy: 1.7591883219015394
Energy: 2.0341811513482893
Energy: 1.5598521732222008
Energy: 1.2540636643609624
Energy: 1.5598521732215938
Energy: 2.066349309444392
Energy: 1.1605505598416292
Energy: 1.1613395175455914
Energy: 1.1605505598416292
Energy: 2.210078329745866
Energy: 1.3780175884748112
Energy: 1.3701355198588956
Energy: 1.3780175884723829

minimum gb energy = 1.1572207881199024 eV
minimum distance =  2.48216615255683 Angstroms
sigma value = 37


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

Energy: 1.605860937524425
Energy: 1.064626028476743
Energy: 1.250147610297632
Energy: 1.1549233094195839
Energy: 2.143327850754559
Energy: 1.3883385289904222
Energy: 1.4062798508969976
Energy: 1.3883385289904222
Energy: 1.7295901241912617
Energy: 1.6339387892256725
Energy: 1.3375153858726667
Energy: 1.6339387892256725
Energy: 1.613812024174047
Energy: 1.6463062298755073
Energy: 1.4052321708040292
Energy: 1.6463062298755073
Energy: 2.1158649543420416
Energy: 1.6811057558460023
Energy: 1.333616184349242
Energy: 1.6811057558449578
Energy: 1.272208242637851
Energy: 1.4218987394881277
Energy: 1.8946045769308204
Energy: 1.4218987394881277
Energy: 1.0596122579387828
Energy: 1.3914075619934467
Energy: 1.8953533204406994
Energy: 1.3914075619934467
Energy: 1.3471433577478187
Energy: 1.2484864100549238
Energy: 2.057934690113114
Energy: 1.2484864100559683
Energy: 1.248587912203463
Energy: 1.0650501831432366
Energy: 1.974286579640111
Energy: 1.0650501831432366
Energy: 1.0648774487160078
Energy: 1.0645769892663095
Energy: 2.086073901643142
Energy: 1.0645769892663095
Energy: 1.250921107450814
Energy: 1.1549233094206286
Energy: 1.605860937524425
Energy: 1.064626027862853
Energy: 1.406279850895953
Energy: 1.3883385289904222
Energy: 2.1058633603522305
Energy: 1.3883385289904222
Energy: 1.3375153858737112
Energy: 1.6339387892256725
Energy: 1.7295901241912617
Energy: 1.6339387892256725
Energy: 1.4052321708040292
Energy: 1.646306229874463
Energy: 1.613812024174047
Energy: 1.6463062298755073
Energy: 1.3336161843481973
Energy: 1.6811057558460023
Energy: 2.1158649781245056
Energy: 1.6811057558449578
Energy: 1.7731215390270487
Energy: 1.4218987394881277
Energy: 1.4061670378606963
Energy: 1.4218987394881277
Energy: 1.8954258879282164
Energy: 1.3914075619934467
Energy: 1.059612257940872
Energy: 1.3914075619934467
Energy: 2.0579346901141586
Energy: 1.2484864100580573
Energy: 1.3471433576883292
Energy: 1.248486410057013
Energy: 1.974286579640111
Energy: 1.0650501831442813
Energy: 1.248587912205552
Energy: 1.0650501831442813
Energy: 2.1080684501974587
Energy: 1.0645769892652652
Energy: 1.0648774487160078
Energy: 1.0645769892673542

minimum gb energy = 1.0596122579387828 eV
minimum distance =  2.49054594031454 Angstroms
sigma value = 25


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

Energy: 2.1268008515619723
Energy: 1.052474263968702
Energy: 1.540753750798494
Energy: 1.0383232868546113
Energy: 2.1191446369957547
Energy: 0.9827685845592911
Energy: 1.32143889591464
Energy: 0.9827685845601067
Energy: 1.9033035663477529
Energy: 1.2555915907895914
Energy: 1.2539033893739375
Energy: 1.2555915907887758
Energy: 1.5168482671769836
Energy: 1.3136095294214607
Energy: 2.0312560368726413
Energy: 1.3136095294222763
Energy: 1.989382241895353
Energy: 1.575453420542562
Energy: 1.6671608442557184
Energy: 1.575453420542562
Energy: 1.5878540851571044
Energy: 1.5057798610978643
Energy: 1.683341021887744
Energy: 1.5057798610978643
Energy: 1.523133611012362
Energy: 1.5338795447928546
Energy: 2.060722188972088
Energy: 1.5338795447928546
Energy: 1.7776533741013216
Energy: 1.2057660618109873
Energy: 1.8071005821394022
Energy: 1.2057660617922277
Energy: 1.219674645818305
Energy: 1.1886077758111477
Energy: 1.9495281421050532
Energy: 1.1886077758127789
Energy: 1.2231664773594055
Energy: 1.1711239745654554
Energy: 2.0191331480289008
Energy: 1.1711239745646398
Energy: 1.3234223015974884
Energy: 1.328894025485494
Energy: 1.802163473117589
Energy: 1.3288940254838628
Energy: 1.082609469919418
Energy: 1.1271865450350342
Energy: 2.04215616337639
Energy: 1.1271865450301404
Energy: 1.109853672148175
Energy: 0.9693839822342771
Energy: 2.0679024781249877
Energy: 0.9693839822448803
Energy: 1.4623956355314423
Energy: 0.9663260428079926
Energy: 1.9510568927466545
Energy: 0.9663260428063614
Energy: 1.2778789603029808
Energy: 0.9651247764312136
Energy: 2.1366900946681433
Energy: 0.9651247764336606
Energy: 1.454935133625178
Energy: 1.449237442730766
Energy: 1.9066260570442721
Energy: 1.4492374427291346
Energy: 1.7965988935757158
Energy: 1.5280972753383613
Energy: 1.9242536900946632
Energy: 1.5280972753383613
Energy: 1.2714221063097193
Energy: 1.649326238660529
Energy: 2.0455499037525495
Energy: 1.649326238660529
Energy: 1.653988538163902
Energy: 1.5312599649282994
Energy: 1.5320900605615047
Energy: 1.531259964926668
Energy: 2.0740895032626048
Energy: 1.54783414528061
Energy: 1.5880353122884099
Energy: 1.5478341452814255
Energy: 1.802939951745385
Energy: 1.2475399840962498
Energy: 1.7420728191640904
Energy: 1.2475399840946186
Energy: 1.9462611582650622
Energy: 1.2575167301573713
Energy: 1.0714024813603513
Energy: 1.2575167301573713
Energy: 2.001023539077793
Energy: 1.1223616559479024
Energy: 1.4378610997508605
Energy: 1.1223616559487177
Energy: 1.8054246233530749
Energy: 1.1208355929488856
Energy: 1.1196258816813942
Energy: 1.1208355929692762
Energy: 2.146592323995219
Energy: 0.9815219152768523
Energy: 0.9844350454593636
Energy: 0.981521915275221
Energy: 1.9265524867666686
Energy: 1.1219830425510031
Energy: 1.048305961820417
Energy: 1.121983042551819

minimum gb energy = 0.9651247764312136 eV
minimum distance =  2.48879279759933 Angstroms
sigma value = 41


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

Energy: 2.158519831954978
Energy: 0.9457531132631503
Energy: 1.075449312776108
Energy: 0.9506091410689074
Energy: 2.007116487913205
Energy: 0.8896337949306588
Energy: 1.1146803857145418
Energy: 0.8896337949333335
Energy: 1.8579262407635195
Energy: 1.1072715077237452
Energy: 1.0561808768198495
Energy: 1.1072715077237452
Energy: 1.665304749096261
Energy: 1.1756749450132054
Energy: 1.7214028360695626
Energy: 1.1756749450125366
Energy: 1.9198499924555368
Energy: 1.4753439310308407
Energy: 1.4762827898550084
Energy: 1.4753439310308407
Energy: 1.610148512546479
Energy: 1.387994017668967
Energy: 1.4730015096427145
Energy: 1.3879940176676295
Energy: 1.617469270632306
Energy: 1.5382198518932657
Energy: 1.7992153107036217
Energy: 1.538219851892597
Energy: 1.9669524054867427
Energy: 1.451221005320336
Energy: 1.4369860744321634
Energy: 1.4512210053196672
Energy: 1.2762849023848273
Energy: 1.3981668653684116
Energy: 1.7516154668470338
Energy: 1.3981668653684116
Energy: 1.3304074868071771
Energy: 1.3903915134484601
Energy: 2.0647483191014326
Energy: 1.390391513449129
Energy: 1.111047970732464
Energy: 1.1138126038449085
Energy: 1.9112029810009559
Energy: 1.1138126037694083
Energy: 1.0486241108201455
Energy: 1.1220017084141005
Energy: 1.9510622166843552
Energy: 1.122001708412824
Energy: 1.2286822981732712
Energy: 1.0000760638221795
Energy: 1.9556572641926828
Energy: 1.000076063823517
Energy: 0.9967064323594399
Energy: 0.9995088310760474
Energy: 1.9131044999965168
Energy: 0.9995088310760474
Energy: 0.888931767402838
Energy: 0.8873255777974649
Energy: 2.002895524922185
Energy: 0.8873255777967963
Energy: 0.886042550004467
Energy: 0.999016204836447
Energy: 1.8943504196741674
Energy: 0.9990162048371157
Energy: 1.3007192141665906
Energy: 1.002557608931472
Energy: 1.8987461114738744
Energy: 1.002557608933478
Energy: 1.0474019523573022
Energy: 0.8849915532209919
Energy: 1.8997983876168385
Energy: 0.8849915532570399
Energy: 1.1261959267934412
Energy: 1.1216328046833233
Energy: 1.6991694426678765
Energy: 1.121632804504177
Energy: 1.4797158628758407
Energy: 1.4102292569770944
Energy: 1.6104980284831478
Energy: 1.4102292569770944
Energy: 1.4354380707125192
Energy: 1.4706241487336855
Energy: 1.7272730752723613
Energy: 1.4706241487350231
Energy: 1.4817429197946395
Energy: 1.4688388389657223
Energy: 1.6697426005262095
Energy: 1.4688388389670597
Energy: 1.7097150389674582
Energy: 1.447611255097714
Energy: 1.6099765496763772
Energy: 1.447611255097714
Energy: 1.4387283148266319
Energy: 1.4001198851786483
Energy: 1.483816863126715
Energy: 1.4001198851793168
Energy: 1.7625763615812233
Energy: 1.4568269431737202
Energy: 1.2057197746180928
Energy: 1.4568269431730512
Energy: 1.7537755672799649
Energy: 1.1831796589701808
Energy: 1.4675072669400366
Energy: 1.1831796589701808
Energy: 1.7579905357308856
Energy: 1.1761472505545438
Energy: 1.1128763629842258
Energy: 1.1761472505525379
Energy: 1.9663538243119802
Energy: 0.8861661711264895
Energy: 1.0455195819736625
Energy: 0.8861661709440609
Energy: 1.935710261521612
Energy: 1.002967159340997
Energy: 1.2231414300336785
Energy: 1.0029671593396596
Energy: 1.7528152254403366
Energy: 0.998695267670309
Energy: 0.9968693216009976
Energy: 0.998695267670309
Energy: 1.9847030238067036
Energy: 0.8878792864759107
Energy: 0.8881943336955669
Energy: 0.8878792864765793
Energy: 2.1643023978231097
Energy: 0.8859828174183709
Energy: 0.9977029478586152
Energy: 0.8859828174177021

minimum gb energy = 0.8849915532209919 eV
minimum distance =  2.48535015828403 Angstroms
sigma value = 15


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

Energy: 1.870753878753458
Energy: 0.8775331052768831
Energy: 1.1842966076512051
Energy: 0.8849076760028349
Energy: 2.017460865924206
Energy: 0.8223573269022781
Energy: 1.018268459474581
Energy: 0.8223573269022781
Energy: 1.8609095855631428
Energy: 1.0106213894544904
Energy: 0.9637614859414174
Energy: 1.0106213894550569
Energy: 1.8733079292690378
Energy: 1.0614801922927695
Energy: 1.4118121673831066
Energy: 1.0614801922350414
Energy: 1.9367806196755575
Energy: 1.1608978670601284
Energy: 1.3013143746671292
Energy: 1.1608978670612615
Energy: 1.6828673317467926
Energy: 1.2614823231091583
Energy: 1.3240397461301978
Energy: 1.2614823231102916
Energy: 1.472623152357829
Energy: 1.3382276986657198
Energy: 1.5441176025889523
Energy: 1.3382276986657198
Energy: 1.8054342007815405
Energy: 1.3308384391833024
Energy: 1.2760657510051037
Energy: 1.3308384391833024
Energy: 1.4427083436979593
Energy: 1.3189702699372348
Energy: 1.5648314216850894
Energy: 1.318970269937801
Energy: 1.4417147471737972
Energy: 1.3378567888353048
Energy: 1.8163123873904428
Energy: 1.3378567888353048
Energy: 1.370802339350153
Energy: 1.260283343924016
Energy: 1.6682766428077938
Energy: 1.2602834031507917
Energy: 1.0904872826472072
Energy: 1.2643303561189303
Energy: 1.7482997392036046
Energy: 1.2643303561177974
Energy: 1.321834581318202
Energy: 1.2738924195472523
Energy: 1.8021174338602575
Energy: 1.2738924195483852
Energy: 1.0136668155373854
Energy: 1.016154431908981
Energy: 1.6700592997546335
Energy: 1.0161544319095472
Energy: 0.9552634541890381
Energy: 1.0143475316300665
Energy: 1.9679894029484215
Energy: 1.0143475316379973
Energy: 1.1195938422483351
Energy: 0.9158668707474359
Energy: 1.8063291005585695
Energy: 0.9158668707468695
Energy: 0.9116424935037857
Energy: 0.9177048986230918
Energy: 1.8145788041041138
Energy: 0.9177048986191267
Energy: 0.8190932284752057
Energy: 0.8198336611196724
Energy: 2.013095865843468
Energy: 0.8198336611202387
Energy: 0.9121495428802341
Energy: 0.91442693343943
Energy: 1.764786487940962
Energy: 0.91442693343943
Energy: 1.1866558359429635
Energy: 0.9154217392983928
Energy: 1.9011836335424817
Energy: 0.9154217395237438
Energy: 0.9510466879565806
Energy: 1.0415930005492613
Energy: 1.930258090493592
Energy: 1.0415930005532268
Energy: 1.0547354732876482
Energy: 1.012994138523765
Energy: 1.8776921760178316
Energy: 1.0129941382904835
Energy: 1.3277813609575309
Energy: 1.2748474945009027
Energy: 1.6801903151401165
Energy: 1.2748474945031687
Energy: 1.2792220817424302
Energy: 1.3137195347206316
Energy: 1.7738657999363643
Energy: 1.313719534720065
Energy: 1.3422639637391436
Energy: 1.2679428436830502
Energy: 1.4640215238094887
Energy: 1.2679428436847497
Energy: 1.5425514841703918
Energy: 1.3309011151768217
Energy: 1.8177776987020104
Energy: 1.3309011151756884
Energy: 1.3022122727742618
Energy: 1.327142929336791
Energy: 1.5446237267318284
Energy: 1.327142929336791
Energy: 1.5805600708740901
Energy: 1.4987523245465244
Energy: 1.4650280738400352
Energy: 1.4987523245476573
Energy: 1.6048126117650698
Energy: 1.3432747789684552
Energy: 1.548076640137087
Energy: 1.3432747789667558
Energy: 1.5626424501528033
Energy: 1.273190957352468
Energy: 1.3282534659891365
Energy: 1.2731909573513351
Energy: 1.9641141638949164
Energy: 1.0830377832242732
Energy: 1.0902760097679316
Energy: 1.0830377832242732
Energy: 1.6715134259181854
Energy: 1.0655567778413302
Energy: 1.403717015339107
Energy: 1.065556777838498
Energy: 1.802632660900654
Energy: 1.0145117649303097
Energy: 1.0193770007011025
Energy: 1.014511764989789
Energy: 1.986194156434504
Energy: 0.8219781380823908
Energy: 1.018230792271757
Energy: 0.821978138081258
Energy: 2.0847225251452697
Energy: 0.9156302496896565
Energy: 1.172735603936892
Energy: 0.9156302497332744
Energy: 1.9886738510708797
Energy: 0.8211285673724739
Energy: 0.828057961716699
Energy: 0.8211285673736068
Energy: 1.9533110080883407
Energy: 0.8203449341612147
Energy: 0.8305085024546177
Energy: 0.8203449341612147

minimum gb energy = 0.8190932284752057 eV
minimum distance =  2.48369706512553 Angstroms
sigma value = 85


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

Energy: 2.0914057024864157
Energy: 0.9333347805568339
Energy: 1.1402989650921391
Energy: 1.1712702100215309
Energy: 2.0610353530060146
Energy: 0.7457278795186364
Energy: 0.9152673022721584
Energy: 0.7457278795191277
Energy: 1.763131482772976
Energy: 0.914054872481621
Energy: 0.8644938328285001
Energy: 0.9140548724840776
Energy: 1.7311257642684545
Energy: 0.9631322610661774
Energy: 1.2441201061591487
Energy: 0.9631322610563515
Energy: 1.9758574110069254
Energy: 1.132959158309593
Energy: 1.1635747132703507
Energy: 1.1329591583081193
Energy: 1.5534695704048223
Energy: 1.1442957706286576
Energy: 1.2076980129877926
Energy: 1.1442957706281662
Energy: 1.6968928780900638
Energy: 1.1897989553311938
Energy: 1.3789693014637605
Energy: 1.1897989553307025
Energy: 1.8271581608522176
Energy: 1.2321433267004958
Energy: 1.2145225022653303
Energy: 1.2321433266985307
Energy: 1.5595638678228727
Energy: 1.2095547355275578
Energy: 1.4333183427619747
Energy: 1.2095547355290315
Energy: 1.5578944926162248
Energy: 1.225470800906354
Energy: 1.6714127865213462
Energy: 1.2254708009068451
Energy: 1.3996867102262756
Energy: 1.2058749907621504
Energy: 1.552572633489533
Energy: 1.2058749907626416
Energy: 1.386324109652134
Energy: 1.2018234573793671
Energy: 1.6129047571308328
Energy: 1.2018234573793671
Energy: 1.3893683935649133
Energy: 1.207493912887084
Energy: 1.658929206768324
Energy: 1.2074939128841362
Energy: 1.2438317152210063
Energy: 1.1231996435339864
Energy: 1.5561286220548187
Energy: 1.1231996435334952
Energy: 1.0518561832025657
Energy: 1.124689279433889
Energy: 1.781072755387124
Energy: 1.1246892794343801
Energy: 1.2718849653978013
Energy: 0.8851997352528561
Energy: 1.6610619015045056
Energy: 0.8851997352523648
Energy: 0.8873891910807257
Energy: 0.8746848033587247
Energy: 1.6618244927023906
Energy: 0.8746848033498813
Energy: 0.8807149331931442
Energy: 0.8943690641445091
Energy: 1.9943888240377203
Energy: 0.8943690641518787
Energy: 1.0055376157692313
Energy: 0.9873708764006054
Energy: 1.864473308167696
Energy: 0.9873708764001141
Energy: 0.9661187220524136
Energy: 0.9556379883282374
Energy: 1.8654406774513015
Energy: 0.9556379883282374
Energy: 0.8002894126963929
Energy: 0.7423523949056474
Energy: 2.055794614423863
Energy: 0.7423523949071213
Energy: 0.8563862939660744
Energy: 0.7438375333699274
Energy: 2.0044725698751726
Energy: 0.7438375333679622
Energy: 1.0917106918060968
Energy: 0.7425761698870156
Energy: 1.8735871022985793
Energy: 0.7425761698884895
Energy: 0.91951314176703
Energy: 0.9998601961700886
Energy: 1.8761353150275766
Energy: 0.9998601961715625
Energy: 1.0873297015629544
Energy: 1.0400052735193037
Energy: 1.7285748952583
Energy: 1.0400052735163559
Energy: 1.162944590365564
Energy: 1.0888001801822875
Energy: 1.9862439811094825
Energy: 1.0888001801817964
Energy: 1.1616720408507297
Energy: 1.0963309283186253
Energy: 1.751697258109747
Energy: 1.0963309283181337
Energy: 1.4021072700153856
Energy: 1.1158602003321396
Energy: 1.7296132705122185
Energy: 1.1158602003321396
Energy: 1.4021298799394195
Energy: 1.1956219314286451
Energy: 1.8666544352848502
Energy: 1.1956219314291365
Energy: 1.3829773546545179
Energy: 1.1943406233627134
Energy: 1.5539062203231115
Energy: 1.194340623362222
Energy: 1.6676662087589835
Energy: 1.2142189738896132
Energy: 1.3847847945587326
Energy: 1.2142189738901044
Energy: 1.5571651861916358
Energy: 1.2519197907119903
Energy: 1.6105257178997543
Energy: 1.2519197907119903
Energy: 1.6107977242785454
Energy: 1.2128070368828316
Energy: 1.3423510372621907
Energy: 1.2128070368843054
Energy: 1.8612146758927097
Energy: 1.2111310245971296
Energy: 1.3576975907397184
Energy: 1.2111310245961469
Energy: 1.5517563103318603
Energy: 1.1454496980572373
Energy: 1.4282527017769513
Energy: 1.1454496980577284
Energy: 1.7777038812125743
Energy: 1.1577037539159978
Energy: 1.1453190650300795
Energy: 1.1577037539159978
Energy: 1.8733341037309714
Energy: 0.969274982277571
Energy: 1.1886792279451313
Energy: 0.9692749822785536
Energy: 1.910336530032156
Energy: 0.9382400198993095
Energy: 0.9312806219154443
Energy: 0.9382400198904661
Energy: 1.9748614780712952
Energy: 0.9167213396604598
Energy: 0.8625358428517444
Energy: 0.9167213396614424
Energy: 1.8645609741493423
Energy: 0.8279243723634451
Energy: 1.0232986636195227
Energy: 0.8279243723644276
Energy: 1.9151230003399768
Energy: 0.8270955155554531
Energy: 0.8262746544573235
Energy: 0.8270955155574184
Energy: 2.064016918642607
Energy: 0.7454169106547298
Energy: 0.7463268152202768
Energy: 0.7454169106547298
Energy: 1.760757082835934
Energy: 0.8272645849915767
Energy: 0.825750961468199
Energy: 0.827264584992068

minimum gb energy = 0.7423523949056474 eV
minimum distance =  2.48489800044304 Angstroms
sigma value = 113


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

Energy: 0.021443149849899777
Energy: 0.8018388067140888
Energy: 1.5488665698540542
Energy: 0.022494393918060684
Energy: 0.885151702110644
Energy: 0.13589228466777206
Energy: 0.8850136351722756
Energy: 0.13589228466848546
Energy: 0.023394818109535153
Energy: 0.13342922955793446
Energy: 0.8829261428499571
Energy: 0.13342922955717912
Energy: 0.024459631652277
Energy: 0.13354208641826731
Energy: 0.8819790398288726
Energy: 0.13354208641826731
Energy: 0.8870524514265774
Energy: 0.13308436969739756
Energy: 1.3790253304973545
Energy: 0.1330843696966422
Energy: 0.022116144743028348
Energy: 0.13305890725224415
Energy: 0.884028049552009
Energy: 0.1330589072518665

minimum gb energy = 0.021443149849899777 eV
minimum distance =  2.73564578984492 Angstroms
sigma value = 1