Model name: model_name=Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Ni__SM_078420412697_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5213917642831802
cohesive_energy=4.4503499778548585
mass=58.6934
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: 0.018143696551338344
Energy: 0.018558506070003738
Energy: 1.2362832587309622
Energy: 0.018558506070003738
Energy: 0.018558506070003738
Energy: 0.9033489096699323
Energy: 0.018558506070003738
Energy: 0.9033489096699323
Energy: 1.2362832587309622
Energy: 0.018558506070003738
Energy: 0.018143696551338344
Energy: 0.018558506070003738
Energy: 0.018558506070003738
Energy: 0.9033489096699323
Energy: 0.018558506070003738
Energy: 0.9033489096699323

minimum gb energy = 0.018143696551338344 eV
minimum distance =  2.42362670727146 Angstroms
sigma value = 1


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

Energy: 1.3953615034229347
Energy: 1.421921529842257
Energy: 1.3584077311571179
Energy: 1.4219215298414554
Energy: 1.3242085968736756
Energy: 1.3730385933432108
Energy: 1.3305128427791
Energy: 1.3730385933440126
Energy: 1.2845402426480963
Energy: 1.4054790998941968
Energy: 1.3383802259480577
Energy: 1.4054790998949984
Energy: 1.3132862539746364
Energy: 1.3031477562946958
Energy: 1.2794745818446436
Energy: 1.3031477562930924
Energy: 1.316908603765809
Energy: 1.423506849640357
Energy: 1.3305801853841055
Energy: 1.423506849640357
Energy: 1.2733691176855952
Energy: 1.4921697066213901
Energy: 1.234283576576948
Energy: 1.4921697066237953
Energy: 1.3255790065240858
Energy: 1.371841360897752
Energy: 1.2743339671831424
Energy: 1.371841360897752
Energy: 1.2368496738901698
Energy: 1.4290048924721943
Energy: 1.2297126360445727
Energy: 1.429004892472996
Energy: 1.280048710406398
Energy: 1.54977879433606
Energy: 1.4359817221271975
Energy: 1.54977879433606
Energy: 1.2364408168465029
Energy: 1.4049830566278083
Energy: 1.2327179534437271
Energy: 1.4049830566278083
Energy: 1.4534658826043685
Energy: 1.3837424008991819
Energy: 1.2802053443744887
Energy: 1.3837424008991819
Energy: 1.3560358211956962
Energy: 1.428240520085829
Energy: 1.2538174337464887
Energy: 1.428240520085829
Energy: 1.3282707920287535
Energy: 1.370458305009694
Energy: 1.3640711088287942
Energy: 1.370458305009694
Energy: 1.3371722863183004
Energy: 1.391248765231558
Energy: 1.2668471500610545
Energy: 1.3912487652323597
Energy: 1.3097405034299754
Energy: 1.4214894912573093
Energy: 1.3233655930817931
Energy: 1.4214894912573093
Energy: 1.3079291935736543
Energy: 1.3935260324863576
Energy: 1.3233168367595247
Energy: 1.3935260324871592
Energy: 1.33811422647595
Energy: 1.4056467467519285
Energy: 1.2579814709863517
Energy: 1.4056467467519285
Energy: 1.3305366250038695
Energy: 1.3706521510185454
Energy: 1.4595166033265268
Energy: 1.3706521510185454
Energy: 1.2335068643280254
Energy: 1.4261124641376552
Energy: 1.2530793274256584
Energy: 1.4261124641376552
Energy: 1.4496342267998226
Energy: 1.8063221662467541
Energy: 1.283056192341222
Energy: 1.8063221662427458
Energy: 1.2406847655962645
Energy: 1.4058340913972238
Energy: 1.2302399893489195
Energy: 1.4058340913972238
Energy: 1.2804938369873287
Energy: 1.5017697462359485
Energy: 1.428375700365558
Energy: 1.5017697462375517
Energy: 1.383390162174465
Energy: 1.4234930013807785
Energy: 1.2613418011747233
Energy: 1.42349300138158
Energy: 1.3638788685992436
Energy: 1.4033364590419353
Energy: 1.2733518555635603
Energy: 1.4033364590419353
Energy: 1.2744696968976417
Energy: 1.4962070698210606
Energy: 1.4452644491324698
Energy: 1.4962070698210606
Energy: 1.3262731688268703
Energy: 1.4285262019982798
Energy: 1.2902980828025166
Energy: 1.4285262019982798
Energy: 1.312242890291592
Energy: 1.5449067933622131
Energy: 1.279778529679099
Energy: 1.5449067933630147
Energy: 1.4324400356252869
Energy: 1.4021311937294363
Energy: 1.3678089650124543
Energy: 1.402131193728635
Energy: 1.3233343160727027
Energy: 1.3709903943205934
Energy: 1.3240859006097347
Energy: 1.3709903943197919
Energy: 1.3931709140188002
Energy: 1.4238052957549243
Energy: 1.352493718284367
Energy: 1.4238052957549243
Energy: 1.328284648284573
Energy: 1.3703737448185116
Energy: 1.328182092120258
Energy: 1.3703737448185116
Energy: 1.2888892285774602
Energy: 1.4035407612322197
Energy: 1.3368042657261687
Energy: 1.4035407612330213
Energy: 1.3169227515575306
Energy: 1.3036156815500735
Energy: 1.2794309781657256
Energy: 1.3036156815500735

minimum gb energy = 1.2297126360445727 eV
minimum distance =  2.25922111399663 Angstroms
sigma value = 1


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

Energy: 1.4607913658089673
Energy: 1.4623327604591125
Energy: 1.4196597669541362
Energy: 1.4623327604600267
Energy: 1.3555751516428445
Energy: 1.4400479062940013
Energy: 1.3708326811248162
Energy: 1.4400479062940013
Energy: 1.339636739222114
Energy: 1.4539464084991163
Energy: 1.375441727465635
Energy: 1.4539464084982021
Energy: 1.3090276173642919
Energy: 1.3247356935278165
Energy: 1.319560901846285
Energy: 1.3247356935278165
Energy: 1.310510944250497
Energy: 1.4303027543055868
Energy: 1.4773949328175557
Energy: 1.4303027543055868
Energy: 1.431495706551668
Energy: 1.4306652251477796
Energy: 1.3736571925415277
Energy: 1.4306652251477796
Energy: 1.44052082858364
Energy: 1.5570859241373614
Energy: 1.3115311890717447
Energy: 1.5570859241373614
Energy: 1.2773623103880711
Energy: 1.4537992974737288
Energy: 1.2846684850566785
Energy: 1.4537992974737288
Energy: 1.3116933445813785
Energy: 1.87320413571224
Energy: 1.520356218806418
Energy: 1.873204135711326
Energy: 1.2906873834925137
Energy: 1.4534875630660635
Energy: 1.4130545069644846
Energy: 1.4534875630660635
Energy: 1.3568945471704803
Energy: 1.387525196303485
Energy: 1.379297546951431
Energy: 1.387525196303485
Energy: 1.295182045727267
Energy: 1.4701947831905768
Energy: 1.3751963531076439
Energy: 1.4701947831914908
Energy: 1.3958249410843386
Energy: 1.4458288559908128
Energy: 1.3595128265736982
Energy: 1.4458288559908128
Energy: 1.3957655829869886
Energy: 1.445854535241392
Energy: 1.3443494899460142
Energy: 1.445854535241392
Energy: 1.2952575256601406
Energy: 1.462478813667416
Energy: 1.4044432198623746
Energy: 1.4624788136665021
Energy: 1.3567839988405015
Energy: 1.387436053203947
Energy: 1.3705607638379833
Energy: 1.387436053203947
Energy: 1.2905177755114547
Energy: 1.4535963962465137
Energy: 1.2850381242623743
Energy: 1.4535963962473861
Energy: 1.311690895377674
Energy: 1.867298638193573
Energy: 1.5204347037335153
Energy: 1.867298638193573
Energy: 1.2773625973739
Energy: 1.4538409764274676
Energy: 1.2845393262628206
Energy: 1.4538409764274676
Energy: 1.440746700827926
Energy: 1.557274686165947
Energy: 1.319470606229834
Energy: 1.557274686165947
Energy: 1.430530879295114
Energy: 1.4308354723789438
Energy: 1.2848439268566538
Energy: 1.4308354723789438
Energy: 1.3106402280628935
Energy: 1.4303138146334715
Energy: 1.3599274152293241
Energy: 1.4303138146334715
Energy: 1.3108488494404544
Energy: 1.3247506924990164
Energy: 1.3114764819202132
Energy: 1.3247506924990164
Energy: 1.339292657867353
Energy: 1.4541225599932028
Energy: 1.4064942626611976
Energy: 1.4541225599932028
Energy: 1.355864105835676
Energy: 1.4397837752364624
Energy: 1.370593388497616
Energy: 1.4397837752364624
Energy: 1.460791365809881
Energy: 1.4623327604591125
Energy: 1.42299754373154
Energy: 1.4623327604609406
Energy: 1.3555751516428445
Energy: 1.4400479062940013
Energy: 1.3708326811257303
Energy: 1.4400479062949154
Energy: 1.339636739222114
Energy: 1.4539464084982021
Energy: 1.3379600716502722
Energy: 1.4539464084982021
Energy: 1.3090276173642919
Energy: 1.3247356935278165
Energy: 1.3150269297152288
Energy: 1.3247356935287307

minimum gb energy = 1.2773623103880711 eV
minimum distance =  2.23358659464443 Angstroms
sigma value = 25


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

Energy: 1.4023897578902504
Energy: 1.5446473499749571
Energy: 1.5071170355495644
Energy: 1.5446473499749571
Energy: 1.426015612456437
Energy: 1.4761474981079385
Energy: 1.3680430188293902
Energy: 1.4761474981079385
Energy: 1.3962872770245753
Energy: 1.595087185195291
Energy: 1.3558028114106628
Energy: 1.5950871851963537
Energy: 1.366049424288302
Energy: 1.3773957029341712
Energy: 1.3527204997181135
Energy: 1.3773957029341712
Energy: 1.3537558005390808
Energy: 1.471791806309821
Energy: 1.5282380740496628
Energy: 1.471791806309821
Energy: 1.5008867851229326
Energy: 1.5039634909666348
Energy: 1.5338737829358358
Energy: 1.50396349096876
Energy: 1.5328621058815286
Energy: 1.6249796969479087
Energy: 1.3874209928851111
Energy: 1.6249796969479087
Energy: 1.626513592908652
Energy: 1.5495542911523872
Energy: 1.3379008980955815
Energy: 1.5495542911523872
Energy: 1.3878229771199098
Energy: 1.529567005561128
Energy: 1.4321395700317041
Energy: 1.529567005561128
Energy: 1.3621736129222863
Energy: 1.504783629254992
Energy: 1.3447306018932894
Energy: 1.504783629254992
Energy: 1.420645273185678
Energy: 1.4585771181075526
Energy: 1.4238065613826731
Energy: 1.4585771181086153
Energy: 1.41327869035693
Energy: 1.5475250313373272
Energy: 1.3649144303504979
Energy: 1.5475250313373272
Energy: 1.3557870683482647
Energy: 1.468193988394544
Energy: 1.345018422911008
Energy: 1.468193988394544
Energy: 1.3884931834888132
Energy: 1.356075767238365
Energy: 1.4322877652587693
Energy: 1.35607576723624
Energy: 1.3423861392332166
Energy: 1.5522955056331216
Energy: 1.3345685702478685
Energy: 1.5522955056331216
Energy: 1.4320819684895287
Energy: 1.3757669500734042
Energy: 1.3536794212480092
Energy: 1.3757669500744665
Energy: 1.3222992130129698
Energy: 1.5929795083359441
Energy: 1.3221962257795439
Energy: 1.5929795083359441
Energy: 1.3539565639271793
Energy: 1.4876163779765206
Energy: 1.5289025629247088
Energy: 1.4876163779765206
Energy: 1.3360621571555018
Energy: 1.3784494398828342
Energy: 1.353987896261477
Energy: 1.3784494398828342
Energy: 1.4310191242994066
Energy: 1.5033831237607038
Energy: 1.3709174538035251
Energy: 1.5033831237607038
Energy: 1.3798997930364274
Energy: 1.4389752725792508
Energy: 1.3714023691928514
Energy: 1.4389752725792508
Energy: 1.3999106586329315
Energy: 1.5453067781816687
Energy: 1.5029979770297657
Energy: 1.5453067781816687
Energy: 1.4245979775342774
Energy: 1.4736084360699646
Energy: 1.3684839877159227
Energy: 1.4736084360689021
Energy: 1.3971784940419405
Energy: 1.5932373345328987
Energy: 1.362350526272559
Energy: 1.5932373345328987
Energy: 1.5984229751178336
Energy: 1.3799414158256358
Energy: 1.353633777470344
Energy: 1.3799414158256358

minimum gb energy = 1.3221962257795439 eV
minimum distance =  2.24547987641076 Angstroms
sigma value = 9


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

Energy: 1.4351875130378942
Energy: 1.4351530634102945
Energy: 1.5851554945606217
Energy: 1.4351530634102945
Energy: 1.414798046770523
Energy: 1.536751783742957
Energy: 1.429877678097036
Energy: 1.536751783742957
Energy: 1.4510246364479813
Energy: 1.4540995565973007
Energy: 1.4322413320355518
Energy: 1.4540995565973007
Energy: 1.6359830469297263
Energy: 1.5838387506454508
Energy: 1.384125335151391
Energy: 1.5838387506454508
Energy: 1.5764838378972725
Energy: 1.5249595929996083
Energy: 1.6264394100290014
Energy: 1.5249595929983408
Energy: 1.3585205932786846
Energy: 1.4186775239324656
Energy: 1.7378240127692013
Energy: 1.4186775239350007
Energy: 1.4381815295639893
Energy: 1.3844625443418197
Energy: 1.38468896201433
Energy: 1.3844625443418197
Energy: 1.5432774302719292
Energy: 1.418789051052516
Energy: 1.3801800165965268
Energy: 1.418789051052516
Energy: 1.4380539287442202
Energy: 1.536691430170071
Energy: 1.4285030398080294
Energy: 1.536691430170071
Energy: 1.4352276039546585
Energy: 1.4347334674715313
Energy: 1.482504482175649
Energy: 1.4347334674715313
Energy: 1.3792368478782433
Energy: 1.543634471449228
Energy: 1.4297290713234554
Energy: 1.543634471449228
Energy: 1.5331353694938021
Energy: 1.6004844300794467
Energy: 1.3841505522120376
Energy: 1.600484430078179
Energy: 1.3570155619491329
Energy: 1.4806545888519635
Energy: 1.3891011894506855
Energy: 1.4806545888532312
Energy: 1.454566698596815
Energy: 1.4201794351446353
Energy: 1.484233722635519
Energy: 1.4201794351446353
Energy: 1.3570238980190488
Energy: 1.480507702769082
Energy: 1.4662684358317963
Energy: 1.480507702769082
Energy: 1.5330019316660577
Energy: 1.600548356552727
Energy: 1.3840593364745017
Energy: 1.600548356552727
Energy: 1.3792528295782973
Energy: 1.543541606574277
Energy: 1.4002069704843063
Energy: 1.543541606574277
Energy: 1.43528470275417
Energy: 1.4352021863151108
Energy: 1.4825505757831943
Energy: 1.435202186313843
Energy: 1.4033471361063732
Energy: 1.5367866115037623
Energy: 1.490856805691473
Energy: 1.5367866115037623
Energy: 1.5433622782961063
Energy: 1.418743153130855
Energy: 1.3801824574298214
Energy: 1.418743153130855
Energy: 1.4381006131874954
Energy: 1.3843318961907716
Energy: 1.38469982060788
Energy: 1.3843318961907716

minimum gb energy = 1.3570155619491329 eV
minimum distance =  2.31425560599747 Angstroms
sigma value = 25


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

Energy: 1.4098254226859468
Energy: 1.5672711452799284
Energy: 1.700813667440189
Energy: 1.5672711452783605
Energy: 1.3822904589957183
Energy: 1.584310076603518
Energy: 1.3729822381794665
Energy: 1.5843100766050857
Energy: 1.5121625655214104
Energy: 1.6037004235396009
Energy: 1.3721083970009147
Energy: 1.6037004235396009
Energy: 1.5606497343097383
Energy: 1.5965343153595126
Energy: 1.6032521598284422
Energy: 1.5965343153595126
Energy: 1.6003617918418476
Energy: 1.3846181187730104
Energy: 1.4583999970912127
Energy: 1.3846181187730104
Energy: 1.3738556916372298
Energy: 1.5869011145450311
Energy: 1.844497440197672
Energy: 1.5869011145450311
Energy: 1.4528677904285952
Energy: 1.531869309404531
Energy: 1.5136923340221962
Energy: 1.531869309404531
Energy: 1.5885774588020536
Energy: 1.609760072889447
Energy: 1.4088157775732664
Energy: 1.609760072889447
Energy: 1.3710997381107355
Energy: 1.4865846891056507
Energy: 1.384611717736459
Energy: 1.4865846891056507
Energy: 1.633071151795299
Energy: 1.559265922238522
Energy: 1.5119380917950733
Energy: 1.559265922238522
Energy: 1.4464756114050814
Energy: 1.5684596092395262
Energy: 1.813276862314234
Energy: 1.5684596092395262
Energy: 1.373639596016253
Energy: 1.4776342906588806
Energy: 1.6332554268650583
Energy: 1.4776342906588806
Energy: 1.600744180654457
Energy: 1.6028567621103889
Energy: 1.3671598765574287
Energy: 1.6028567621103889
Energy: 1.3743524250863361
Energy: 1.5696037077815304
Energy: 1.5606474435883808
Energy: 1.5696037077815304
Energy: 1.419033709334963
Energy: 1.570163947464608
Energy: 1.7284313494239982
Energy: 1.570163947464608
Energy: 1.3848281834245275
Energy: 1.5216913150455245
Energy: 1.3735769197018386
Energy: 1.5216913150470919
Energy: 1.5145151035519047
Energy: 1.5021780701699787
Energy: 1.6316869347945304
Energy: 1.5021780701715464

minimum gb energy = 1.3671598765574287 eV
minimum distance =  2.30445933060807 Angstroms
sigma value = 17


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

Energy: 1.4728810111733353
Energy: 1.4752916325861047
Energy: 1.7917709133614572
Energy: 1.4752916325878804
Energy: 1.5702189670178492
Energy: 1.5341058304334512
Energy: 1.3858465969772888
Energy: 1.5341058304316757
Energy: 1.7265020112363627
Energy: 1.46211259599387
Energy: 1.3852995618011474
Energy: 1.4621125959956456
Energy: 1.4839795002834726
Energy: 1.4745182419978964
Energy: 1.5183372566855238
Energy: 1.4745182419996719
Energy: 1.6503045076327063
Energy: 1.4646657000684193
Energy: 1.4351952318471568
Energy: 1.464665700069307
Energy: 1.4009786277024898
Energy: 1.4951222400226027
Energy: 1.8487942853853303
Energy: 1.4951222400226027
Energy: 1.4730149628335587
Energy: 1.5255540512481391
Energy: 1.3854444678291205
Energy: 1.5255540512472512
Energy: 1.725856032468944
Energy: 1.4970157540054103
Energy: 1.3985098341510873
Energy: 1.4970157540045226
Energy: 1.402511125860441
Energy: 1.6066030583165427
Energy: 1.6478336395233304
Energy: 1.6066030583165427
Energy: 1.7782323238449051
Energy: 1.4668920845909659
Energy: 1.3862768783313395
Energy: 1.4668920845918534
Energy: 1.3889144249096177
Energy: 1.5410216809871078
Energy: 1.898885651572181
Energy: 1.5410216809862198
Energy: 1.3970849112122639
Energy: 1.5259791352645062
Energy: 1.399206543518097
Energy: 1.5259791352636185
Energy: 1.8510269990072514
Energy: 1.473944657450453
Energy: 1.4791664259187378
Energy: 1.473944657450453
Energy: 1.3857913824111987
Energy: 1.6276918068517585
Energy: 1.5718874844307404
Energy: 1.6276918068517585
Energy: 1.5277579540981086
Energy: 1.5266252592248786
Energy: 1.4908312505097574
Energy: 1.5266252592248786
Energy: 1.6188705594569013
Energy: 1.4950015911294199
Energy: 1.6210031963965177
Energy: 1.4950015911303076
Energy: 1.3857467750923165
Energy: 1.5776368186160885
Energy: 1.727148571333247
Energy: 1.5776368186152008
Energy: 1.6726995429646665
Energy: 1.4638019003369103
Energy: 1.4008463327883658
Energy: 1.4638019003369103
Energy: 1.4529860583635579
Energy: 1.5587778335062865
Energy: 1.4604229911725477
Energy: 1.5587778335071745
Energy: 1.3851385243562397
Energy: 1.4741073443312414
Energy: 1.4777949624883877
Energy: 1.4741073443303534
Energy: 1.5018051235471013
Energy: 1.4851973543683135
Energy: 1.616087129040633
Energy: 1.4851973543665378
Energy: 1.3874874621213205
Energy: 1.6949631878730231
Energy: 1.7768676545872921
Energy: 1.6949631878730231
Energy: 1.6460247168560576
Energy: 1.5383459903352508
Energy: 1.3842822684186677
Energy: 1.5383459903361387
Energy: 1.3977840479485268
Energy: 1.569339198322181
Energy: 1.6889204210223552
Energy: 1.569339198322181
Energy: 1.4642260299499401
Energy: 1.485314638460197
Energy: 1.6918458051446932
Energy: 1.4853146384593094
Energy: 1.6456810839897489
Energy: 1.5016672467474135
Energy: 1.3858867822038918
Energy: 1.501667246748301
Energy: 1.41902471785033
Energy: 1.689756595023344
Energy: 1.8106092443296165
Energy: 1.689756595023344
Energy: 1.5622894052527234
Energy: 1.4946383524388849
Energy: 1.6174044906967289
Energy: 1.494638352437997
Energy: 1.6728067316899307
Energy: 1.648059840424863
Energy: 1.475474600461986
Energy: 1.6480598404257505
Energy: 1.3982679254284502
Energy: 1.5589395681533214
Energy: 1.6720744380144599
Energy: 1.5589395681533214

minimum gb energy = 1.3842822684186677 eV
minimum distance =  2.19758836916527 Angstroms
sigma value = 53


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

Energy: 1.2737514553066547
Energy: 1.2733043938096114
Energy: 1.8060961196052854
Energy: 1.2733043938096114
Energy: 1.604569203370111
Energy: 1.4312867051944922
Energy: 1.2998162142696417
Energy: 1.4312867051944922
Energy: 1.2742928832217697
Energy: 1.2730298298938163
Energy: 1.4570906748996468
Energy: 1.2730298298938163
Energy: 1.2744012510881482
Energy: 1.2729715384057165
Energy: 1.462926246051462
Energy: 1.2729715384057165
Energy: 1.6045746300086068
Energy: 1.4313687528549917
Energy: 1.299907375686264
Energy: 1.4313687528549917
Energy: 1.2737514553066547
Energy: 1.2733043938096114
Energy: 1.8609512327335032
Energy: 1.2733043938096114
Energy: 1.604569203370111
Energy: 1.4312867051965363
Energy: 1.4621041367237433
Energy: 1.4312867051944922
Energy: 1.2742928832217697
Energy: 1.2730298298938163
Energy: 1.586973847887281
Energy: 1.2730298298938163
Energy: 1.2744012510861042
Energy: 1.2729715384057165
Energy: 1.5219761254542932
Energy: 1.2729715384057165
Energy: 1.6045746300086068
Energy: 1.4313687528549917
Energy: 1.517998736880352
Energy: 1.4313687528549917
Energy: 1.2737514553066547
Energy: 1.2733043938116553
Energy: 1.8609512327335032
Energy: 1.2733043938096114
Energy: 1.604569203370111
Energy: 1.4312867051944922
Energy: 1.5213888239539382
Energy: 1.4312867051944922
Energy: 1.2742928832217697
Energy: 1.2730298298938163
Energy: 1.586973847887281
Energy: 1.2730298298938163

minimum gb energy = 1.2729715384057165 eV
minimum distance =  2.28515647431621 Angstroms
sigma value = 9


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

Energy: 1.4006935505248281
Energy: 1.7431679501469945
Energy: 1.9247599633536598
Energy: 1.743167950146238
Energy: 1.7549108189942804
Energy: 1.4985934605536801
Energy: 1.4518652540435566
Energy: 1.4985934605544367
Energy: 1.4591611365425572
Energy: 1.379674315742858
Energy: 1.4180554383361559
Energy: 1.379674315741345
Energy: 1.6372079823343821
Energy: 1.6923411453220407
Energy: 1.451599288411138
Energy: 1.6923411453220407
Energy: 1.682384999565274
Energy: 1.4700345224317461
Energy: 1.417578586720458
Energy: 1.4700345224325027
Energy: 1.3804623607339104
Energy: 1.377964255392162
Energy: 1.9338620982792705
Energy: 1.3779642553929186
Energy: 1.9535597099810478
Energy: 1.463559721410953
Energy: 1.452025972617648
Energy: 1.4635597214117095
Energy: 1.4622039698915401
Energy: 1.6650910760958106
Energy: 1.664885640055975
Energy: 1.6650910760958106
Energy: 1.4574713006119075
Energy: 1.6910755107255258
Energy: 1.377973519735165
Energy: 1.6910755107255258
Energy: 1.4159739245585712
Energy: 1.4977489428575625
Energy: 1.378465499654223
Energy: 1.4977489428575625
Energy: 1.4710099223547037
Energy: 1.6939766697995235
Energy: 1.9478824343662526
Energy: 1.6939766697995235
Energy: 1.6753087620799882
Energy: 1.7442308645974343
Energy: 1.4427906559638306
Energy: 1.7442308645989475
Energy: 1.467339474265579
Energy: 1.5919845076465908
Energy: 1.7806717923279005
Energy: 1.5919845076443213
Energy: 1.6394223251403996
Energy: 1.6868612481919716
Energy: 1.4073723890355934
Energy: 1.6868612481934844
Energy: 1.4480398490376358
Energy: 1.4809473562127615
Energy: 1.6095261711073938
Energy: 1.480947356212005
Energy: 1.4684682195336975
Energy: 1.664298693035491
Energy: 1.66666219641025
Energy: 1.6642986930347345
Energy: 1.5688815293177005
Energy: 1.4282408253640488
Energy: 1.4478047909147664
Energy: 1.4282408253632926
Energy: 1.470585330277695
Energy: 1.464044292093124
Energy: 1.670729557131748
Energy: 1.4640442920923677
Energy: 1.7088701525470618
Energy: 1.479885546294536
Energy: 1.384661051937835
Energy: 1.4798855462937797
Energy: 1.4418447985740308
Energy: 1.5176214783930397
Energy: 1.641580626483609
Energy: 1.5176214783930397
Energy: 1.658154660759007
Energy: 1.6572629210044927
Energy: 1.6582232446995295
Energy: 1.6572629210044927
Energy: 1.5806989870589343
Energy: 1.5793602780580402
Energy: 1.4476870575789156
Energy: 1.5793602780580402
Energy: 1.3780263400841395
Energy: 1.4801532774162012
Energy: 1.449267062937573
Energy: 1.4801532774177142
Energy: 1.9213179616762417
Energy: 1.5125692212024757
Energy: 1.4635043726847468
Energy: 1.512569221201719
Energy: 1.45261909730251
Energy: 1.754049261707269
Energy: 1.8762602667834698
Energy: 1.754049261707269
Energy: 1.58369971117544
Energy: 1.4928734239942387
Energy: 1.4704193959073593
Energy: 1.492873423992726
Energy: 1.4788239424449385
Energy: 1.5074191008687023
Energy: 1.6606705230982284
Energy: 1.5074191008694586
Energy: 1.3965917525297442
Energy: 1.68886082499673
Energy: 1.6367112263464423
Energy: 1.68886082499673
Energy: 1.5449055707836543
Energy: 1.4926760491686308
Energy: 1.464796466693891
Energy: 1.4926760491693873
Energy: 1.4552387044060155
Energy: 1.755344073681971
Energy: 1.8779253134014142
Energy: 1.7553440736827275
Energy: 1.7741047394107905
Energy: 1.7258220973389824
Energy: 1.4699836809854967
Energy: 1.725822097338226
Energy: 1.3789284499305288
Energy: 1.466934269102027
Energy: 1.4625690289686912
Energy: 1.466934269102027
Energy: 1.4268508488208922
Energy: 1.564934064290166
Energy: 1.4616772238323212
Energy: 1.5649340642894092
Energy: 1.6608062244194866
Energy: 1.6598740499711009
Energy: 1.6617758239839318
Energy: 1.6598740499711009
Energy: 1.4443873440878245
Energy: 1.661970015591709
Energy: 1.9652354078378584
Energy: 1.6619700155923964

minimum gb energy = 1.377964255392162 eV
minimum distance =  2.21956847534963 Angstroms
sigma value = 73


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

Energy: 1.4627260402800797
Energy: 1.4636116820069054
Energy: 1.86490440878337
Energy: 1.4636116820069054
Energy: 1.5022571942889402
Energy: 1.516916347913461
Energy: 1.4424863397809427
Energy: 1.516916347913461
Energy: 1.4497962131155646
Energy: 1.4641751023346055
Energy: 1.4164428749211189
Energy: 1.4641751023346055
Energy: 1.45986180102017
Energy: 1.5902750776406012
Energy: 1.5000779210760629
Energy: 1.5902750776406012
Energy: 1.4809970647525288
Energy: 1.529434395833435
Energy: 1.3990167539990057
Energy: 1.529434395833435
Energy: 1.449765939680146
Energy: 1.410274334764348
Energy: 1.873995308184215
Energy: 1.410274334764348
Energy: 1.9534447378726043
Energy: 1.6234849338261859
Energy: 1.4817145219199743
Energy: 1.6234849338261859
Energy: 1.4313076762709498
Energy: 1.3678455957541553
Energy: 1.7396215088445586
Energy: 1.3678455957553555
Energy: 1.9656634186448132
Energy: 1.3687528977880754
Energy: 1.3685306465549991
Energy: 1.3687528977880754
Energy: 1.4416492991671885
Energy: 1.5614118976838194
Energy: 1.3679517789043283
Energy: 1.5614118976826192
Energy: 1.4346212886476175
Energy: 1.4640770420750682
Energy: 1.8188530547954673
Energy: 1.4640770420750682
Energy: 1.6254140052508192
Energy: 1.4171321587474792
Energy: 1.4587415269959476
Energy: 1.4171321587474792
Energy: 1.449969289500058
Energy: 1.488448165740108
Energy: 1.839855110674984
Energy: 1.488448165740108
Energy: 1.8466706974381697
Energy: 1.585132308227654
Energy: 1.4987389313260502
Energy: 1.585132308227654
Energy: 1.4364933575919707
Energy: 1.6603404592931343
Energy: 1.7730284363244146
Energy: 1.6603404592931343
Energy: 1.7451705582990331
Energy: 1.5496676240343636
Energy: 1.4321387624575432
Energy: 1.5496676240355638
Energy: 1.4615427875484786
Energy: 1.461934817647772
Energy: 1.450088040323871
Energy: 1.4619348176489722
Energy: 1.4618651589256764
Energy: 1.4620115476063906
Energy: 1.4816133460969356
Energy: 1.4620115476063906
Energy: 1.5654492419740962
Energy: 1.4635805336505474
Energy: 1.4459774866357893
Energy: 1.4635805336505474
Energy: 1.4723047157332931
Energy: 1.5301948003957755
Energy: 1.917443734279887
Energy: 1.5301948003945756
Energy: 1.8549583024444705
Energy: 1.4625049656089772
Energy: 1.4517422629089944
Energy: 1.4625049656089772
Energy: 1.5002854834578994
Energy: 1.5230761573578742
Energy: 1.6062747775485886
Energy: 1.5230761573578742

minimum gb energy = 1.3678455957541553 eV
minimum distance =  2.23235399634257 Angstroms
sigma value = 7


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

Energy: 1.384633074492274
Energy: 1.385443479783533
Energy: 1.8979002792686772
Energy: 1.385443479784382
Energy: 1.780056774701979
Energy: 1.4568409138316816
Energy: 1.4757459894054403
Energy: 1.4568409138316816
Energy: 1.4049761086165273
Energy: 1.6045374416289075
Energy: 1.3948021165643376
Energy: 1.604537441628059
Energy: 1.3871983150947793
Energy: 1.4925709960975937
Energy: 1.4344241929337302
Energy: 1.4925709960975937
Energy: 1.3955531575000744
Energy: 1.49390057282306
Energy: 1.3889229108909769
Energy: 1.493900572823909
Energy: 1.430133167433395
Energy: 1.516708164809564
Energy: 1.900513156552405
Energy: 1.516708164808715
Energy: 1.5925286153986091
Energy: 1.6184193964854903
Energy: 1.5077936151148084
Energy: 1.6184193964803983
Energy: 1.429702081518183
Energy: 1.5179954049136681
Energy: 2.0028684977941174
Energy: 1.5179954049136681
Energy: 1.5628789852396683
Energy: 1.4745833907880486
Energy: 1.435222447185609
Energy: 1.4745833907888974
Energy: 1.4290771409347993
Energy: 1.4952733056005727
Energy: 1.5131069956171777
Energy: 1.4952733056005727
Energy: 1.4727796787078002
Energy: 1.4196996444430274
Energy: 1.4725653471224778
Energy: 1.419699644442179
Energy: 1.3854795792338257
Energy: 1.4931875506761887
Energy: 1.4592271548426505
Energy: 1.4931875506761887
Energy: 1.3854940055580376
Energy: 1.3865212002351441
Energy: 1.4587472044586187
Energy: 1.3865212002351441
Energy: 1.393860296324089
Energy: 1.3757153064166032
Energy: 1.4393827538802757
Energy: 1.3757153064157546
Energy: 1.4288482092918073
Energy: 1.6680640726490392
Energy: 1.7790641095672977
Energy: 1.6680640726490392
Energy: 1.9698202887405274
Energy: 1.3766416663519832
Energy: 1.407038523470524
Energy: 1.3766416663511345
Energy: 1.428383282362581
Energy: 1.4793412420184466
Energy: 1.6122556647034039
Energy: 1.4793412420184466
Energy: 1.3945425321251745
Energy: 1.4909679640480207
Energy: 1.438675737605163
Energy: 1.4909679640497178
Energy: 1.4285907879983994
Energy: 1.5179655956535871
Energy: 1.4396224538503473
Energy: 1.5179655956535871
Energy: 1.3920274530945371
Energy: 1.497044674690652
Energy: 1.3775976018178149
Energy: 1.4970446746889543
Energy: 1.45365096639143
Energy: 1.4202610382788106
Energy: 1.435204331931771
Energy: 1.4202610382779617
Energy: 1.4284206641008639
Energy: 1.6047291659932155
Energy: 1.5117665022150801
Energy: 1.6047291659932155
Energy: 1.7951137766176644
Energy: 1.475140312450351
Energy: 1.4682479515686429
Energy: 1.475140312448654
Energy: 1.3924180409928857
Energy: 1.3858689293720634
Energy: 1.980270748587272
Energy: 1.3858689293729125
Energy: 1.4066252139243407
Energy: 1.4970342087054256
Energy: 1.4600112461218464
Energy: 1.4970342087045767
Energy: 1.389815063576868
Energy: 1.5984435922464197
Energy: 1.4645977965272345
Energy: 1.598443592245571
Energy: 1.404946240749679
Energy: 1.4942382435504797
Energy: 1.497872330148282
Energy: 1.4942382435504797
Energy: 1.4536119127668488
Energy: 1.4784910740305957
Energy: 1.4341873057281227
Energy: 1.4784910740314448
Energy: 1.404830938645726
Energy: 1.517114318235777
Energy: 1.6407548223676895
Energy: 1.517114318235777
Energy: 1.5879222238846828
Energy: 1.6505152222331905
Energy: 1.4741128289063068
Energy: 1.6505152222331905
Energy: 1.4044767406042618
Energy: 1.5169377643763033
Energy: 1.7938968243335318
Energy: 1.5169377643754545

minimum gb energy = 1.3757153064157546 eV
minimum distance =  2.21404191521047 Angstroms
sigma value = 29


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

Energy: 1.2652007043820481
Energy: 1.2515172479093246
Energy: 1.7457727640489242
Energy: 1.2515172479090617
Energy: 1.48922026289095
Energy: 1.2664935210357444
Energy: 1.2629643487771471
Energy: 1.26649352103604
Energy: 1.3103365592921274
Energy: 1.3352918775191034
Energy: 1.489503498909409
Energy: 1.3352918775191034
Energy: 1.2626863877731296
Energy: 1.2067358931919172
Energy: 1.501531795055995
Energy: 1.2067358931922127
Energy: 1.265752096355751
Energy: 1.3044872172973152
Energy: 1.4897358951019224
Energy: 1.3044872172976107
Energy: 1.3097033798660058
Energy: 1.3359898437667765
Energy: 1.3097883870026805
Energy: 1.3359898437667765
Energy: 1.2513775647205088
Energy: 1.3042234702008995
Energy: 1.265770191997487
Energy: 1.3042234702008995
Energy: 1.5014928981717621
Energy: 1.2067952070823658
Energy: 1.2626304427314634
Energy: 1.2067952070823658
Energy: 1.4894932478651133
Energy: 1.3354493940625567
Energy: 1.489658294963794
Energy: 1.3354493940619983

minimum gb energy = 1.2067358931919172 eV
minimum distance =  2.27644192548873 Angstroms
sigma value = 5


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

Energy: 1.3120255957960338
Energy: 1.3133079258317983
Energy: 1.6808615552436177
Energy: 1.3133079258317983
Energy: 1.4292531481655895
Energy: 1.399917234596843
Energy: 1.3328567348694922
Energy: 1.3999172345976443
Energy: 1.2827419339587882
Energy: 1.4251008051222684
Energy: 1.5704126854448637
Energy: 1.4251008051214666
Energy: 1.2858568159604236
Energy: 1.3920518728615157
Energy: 1.289589110272926
Energy: 1.3920518728623172
Energy: 1.3087274106370763
Energy: 1.3987450080100385
Energy: 1.4751862694487208
Energy: 1.3987450080100385
Energy: 1.42482832418928
Energy: 1.4318082629481546
Energy: 1.2816409972717497
Energy: 1.4318082629497577
Energy: 1.2764223007596776
Energy: 1.3953526026341572
Energy: 1.2766070331044403
Energy: 1.3953526026349585
Energy: 1.276867904120513
Energy: 1.4340447380200338
Energy: 1.2992032698330531
Energy: 1.4340447380184305
Energy: 1.2845605361737968
Energy: 1.3967807677938109
Energy: 1.3349394282467473
Energy: 1.3967807677930093
Energy: 1.2840444481137692
Energy: 1.3963693803561863
Energy: 1.2866882247380558
Energy: 1.3963693803561863
Energy: 1.3930618002499262
Energy: 1.5382771946860372
Energy: 1.2854374703852411
Energy: 1.5382771946868385
Energy: 1.3377510321883312
Energy: 1.2993764808360257
Energy: 1.3131788425276425
Energy: 1.2993764808320174
Energy: 1.3442411039962037
Energy: 1.3151778175411406
Energy: 1.3215943737090032
Energy: 1.3151778175411406
Energy: 1.306408953540777
Energy: 1.3133784253142087
Energy: 1.5626867611052226
Energy: 1.3133784253126055
Energy: 1.3029833537287672
Energy: 1.393736378343966
Energy: 1.2852988490100985
Energy: 1.3937363783431644
Energy: 1.2863766624642607
Energy: 1.3057898493613507
Energy: 1.621224399056614
Energy: 1.3057898493613507
Energy: 1.4649277138087329
Energy: 1.2999904228670687
Energy: 1.3091066814882915
Energy: 1.2999904228670687
Energy: 1.2918428192273654
Energy: 1.431564718586152
Energy: 1.7770122858347404
Energy: 1.4315647185869536
Energy: 1.2823071363005518
Energy: 1.3996596647746522
Energy: 1.2767801931303107
Energy: 1.3996596647746522
Energy: 1.3032376593308261
Energy: 1.5352969166656025
Energy: 1.2921662380538763
Energy: 1.5352969166656025
Energy: 1.295950294367127
Energy: 1.3881799550727583
Energy: 1.284653656477058
Energy: 1.388179955071957
Energy: 1.3431380745405612
Energy: 1.396100584511785
Energy: 1.2839580728545903
Energy: 1.3961005845109835
Energy: 1.2871441639056365
Energy: 1.314662969067179
Energy: 1.2974100579073484
Energy: 1.3146629690687823
Energy: 1.3124088760713317
Energy: 1.3285232565821934
Energy: 1.3359766721996837
Energy: 1.3285232565821934
Energy: 1.3121383511538156
Energy: 1.309973115422846
Energy: 1.332867299008596
Energy: 1.3099731154220444
Energy: 1.3014919932718045
Energy: 1.3137015539870933
Energy: 1.3115968697593523
Energy: 1.3137015539862917
Energy: 1.2883202520220305
Energy: 1.2746539669147063
Energy: 1.2923209084663239
Energy: 1.2746539669155081
Energy: 1.6456314558003124
Energy: 1.3596313604963393
Energy: 1.2864463265835193
Energy: 1.3596313604963393
Energy: 1.2974539633829458
Energy: 1.6181767790430572
Energy: 1.4750279645695812
Energy: 1.6181767790430572
Energy: 1.7489257500342308
Energy: 1.432672503038518
Energy: 1.2922354179562547
Energy: 1.432672503038518
Energy: 1.2792452262473637
Energy: 1.2920562373894184
Energy: 1.7516396238876857
Energy: 1.2920562373894184
Energy: 1.464984238452413
Energy: 1.4006581790233759
Energy: 1.2979909668803418
Energy: 1.4006581790233759
Energy: 1.288592947556298
Energy: 1.3605904099694115
Energy: 1.2955934237640834
Energy: 1.3605904099702133

minimum gb energy = 1.2746539669147063 eV
minimum distance =  2.21294248307001 Angstroms
sigma value = 1


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

Energy: 1.2744196054059482
Energy: 1.274425120778598
Energy: 1.8581616995534547
Energy: 1.274425120778598
Energy: 1.2763227009527622
Energy: 1.3990645670593491
Energy: 1.2651218120995538
Energy: 1.3990645670582407
Energy: 1.2376577335999248
Energy: 1.4461292353002622
Energy: 1.5075981901650704
Energy: 1.4461292353002622
Energy: 1.3366479544046068
Energy: 1.3775848835502014
Energy: 1.2446142867258017
Energy: 1.3775848835502014
Energy: 1.2634294713620489
Energy: 1.2781921630842508
Energy: 1.5619052034207064
Energy: 1.2781921630842508
Energy: 1.260164810069378
Energy: 1.3424596651340541
Energy: 1.2446763604047502
Energy: 1.3424596651340541
Energy: 1.2377932677083359
Energy: 1.4119598182561468
Energy: 1.2492176715660879
Energy: 1.4119598182561468
Energy: 1.2377795149443684
Energy: 1.4463096659668684
Energy: 1.2625674666846995
Energy: 1.4463096659668684
Energy: 1.2736536738725277
Energy: 1.2792473268169549
Energy: 1.3736972293030647
Energy: 1.2792473268169549
Energy: 1.2735845275979554
Energy: 1.27898559357663
Energy: 1.262564382801031
Energy: 1.27898559357663
Energy: 1.2377893269631886
Energy: 1.4464038567097004
Energy: 1.302455611287232
Energy: 1.4464038567097004
Energy: 1.2378299685589687
Energy: 1.4118217647576883
Energy: 1.2482391688837928
Energy: 1.4118217647565798
Energy: 1.2603463338750223
Energy: 1.3422857343906907
Energy: 1.2443454399550904
Energy: 1.3422857343906907
Energy: 1.2631093924328394
Energy: 1.2784635900350771
Energy: 1.2740867421096933
Energy: 1.2784635900350771
Energy: 1.3365101192164024
Energy: 1.3778925192957314
Energy: 1.244686897365734
Energy: 1.3778925192957314
Energy: 1.2376614195239777
Energy: 1.4459885010890696
Energy: 1.4434157232020755
Energy: 1.4459885010890696
Energy: 1.2762524566110474
Energy: 1.3992302896420041
Energy: 1.2651569406714858
Energy: 1.3992302896431126
Energy: 1.2744196054059482
Energy: 1.274425120778598
Energy: 1.6316691744935141
Energy: 1.274425120778598
Energy: 1.276322700951654
Energy: 1.3990645670582407
Energy: 1.2651218120995538
Energy: 1.3990645670571327
Energy: 1.2376577335988164
Energy: 1.4461292353002622
Energy: 1.7623288627398452
Energy: 1.4461292353002622
Energy: 1.3366479544046068
Energy: 1.3775848835502014
Energy: 1.24461428672691
Energy: 1.3775848835502014
Energy: 1.2634294713620489
Energy: 1.2781921630842508
Energy: 1.5619052034195982
Energy: 1.2781921630831428
Energy: 1.2601648100671612
Energy: 1.3424596651329457
Energy: 1.2446763604047502
Energy: 1.3424596651329457
Energy: 1.237793267709444
Energy: 1.4119598182561468
Energy: 1.2492176715649792
Energy: 1.4119598182561468

minimum gb energy = 1.2376577335988164 eV
minimum distance =  2.23051035847342 Angstroms
sigma value = 17


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

Energy: 1.279550855327096
Energy: 1.2793446293353028
Energy: 1.6817546956081106
Energy: 1.2793446293366728
Energy: 1.5945669720222184
Energy: 1.2701467436582705
Energy: 1.254601311899298
Energy: 1.2701467436562148
Energy: 1.250276166798911
Energy: 1.3740332748795876
Energy: 1.5374782196932912
Energy: 1.3740332748802724
Energy: 1.4647886658630336
Energy: 1.2412299226318546
Energy: 1.2485657931992076
Energy: 1.2412299226325396
Energy: 1.2515363196591
Energy: 1.2797829085154906
Energy: 1.581631170830788
Energy: 1.2797829085141206
Energy: 1.2829925787334133
Energy: 1.7901845100766167
Energy: 1.2646329748613607
Energy: 1.7901845100752465
Energy: 1.2829303956696325
Energy: 1.3496545417668548
Energy: 1.2641139432140822
Energy: 1.3496545417682249
Energy: 1.2456446481306753
Energy: 1.5470729360695945
Energy: 1.2465936827211255
Energy: 1.5470729360702797
Energy: 1.263664887806289
Energy: 1.5332859685399374
Energy: 1.3312234964231067
Energy: 1.5332859685399374
Energy: 1.2633775831962133
Energy: 1.5368815526036663
Energy: 1.2627547215417658
Energy: 1.5368815526036663
Energy: 1.242588026071014
Energy: 1.3236745074938445
Energy: 1.256708158678098
Energy: 1.3236745074931593
Energy: 1.2420539967486757
Energy: 1.3461837798264684
Energy: 1.2384166859010828
Energy: 1.3461837798271536
Energy: 1.289297064610338
Energy: 1.5236931900455881
Energy: 1.2528554657489739
Energy: 1.523693190044903
Energy: 1.277942673126546
Energy: 1.3704449692154221
Energy: 1.27857232882697
Energy: 1.3704449692161071
Energy: 1.2756346298835115
Energy: 1.2487712969241511
Energy: 1.291944441239243
Energy: 1.2487712969214109
Energy: 1.2579183294330922
Energy: 1.3763192076480433
Energy: 1.5821153270583612
Energy: 1.3763192076459885
Energy: 1.2497265386205068
Energy: 1.2483164822406552
Energy: 1.253260991439866
Energy: 1.2483164822406552
Energy: 1.2425916810949216
Energy: 1.387888214850223
Energy: 1.7497149998811614
Energy: 1.387888214849538
Energy: 1.4095818204463837
Energy: 1.2567929299344673
Energy: 1.2543404628372417
Energy: 1.256792929933782
Energy: 1.2590220786986377
Energy: 1.2645073367068318
Energy: 1.6574581832483941
Energy: 1.2645073367095723
Energy: 1.3498371569234526
Energy: 1.2592846496831127
Energy: 1.2803146709318332
Energy: 1.259284649683798
Energy: 1.279738967827032
Energy: 1.3891911265438532
Energy: 1.3511918633807916
Energy: 1.3891911265431685
Energy: 1.4719192784739992
Energy: 1.2572623113997887
Energy: 1.261404498805984
Energy: 1.2572623114004737
Energy: 1.2546639040528065
Energy: 1.2592748480038585
Energy: 1.413956177923015
Energy: 1.2592748480052287
Energy: 1.5991110235843229
Energy: 1.3879689551923244
Energy: 1.2453766477847263
Energy: 1.3879689551923244
Energy: 1.2522899291797176
Energy: 1.372537773682999
Energy: 1.2498916125496606
Energy: 1.372537773682999
Energy: 1.3935223125713827
Energy: 1.337620667847408
Energy: 1.2604142837251473
Energy: 1.3376206678480933
Energy: 1.2910842307716635
Energy: 1.510169067013795
Energy: 1.2758048382041507
Energy: 1.5101690670144803
Energy: 1.278652305786089
Energy: 1.3694678892780585
Energy: 1.2785840233871855
Energy: 1.3694678892773735
Energy: 1.2525283318700362
Energy: 1.5296918407985158
Energy: 1.2836637032777563
Energy: 1.529691840799201
Energy: 1.238422383727048
Energy: 1.36802774423691
Energy: 1.2423096302469467
Energy: 1.3680277442375948
Energy: 1.2565272276331805
Energy: 1.3210334201438187
Energy: 1.252257011436588
Energy: 1.3210334201431337
Energy: 1.2604853952078765
Energy: 1.347307322982526
Energy: 1.4104981635799174
Energy: 1.347307322983896
Energy: 1.3309263054642555
Energy: 1.5263604457151505
Energy: 1.2670898420603123
Energy: 1.5263604457144655
Energy: 1.2453945289825281
Energy: 1.3889353164319589
Energy: 1.2934183684815466
Energy: 1.3889353164319589
Energy: 1.2640502028185963
Energy: 1.3518725101729667
Energy: 1.2806899174568906
Energy: 1.3518725101722815
Energy: 1.261012611060376
Energy: 1.7881757992235594
Energy: 1.2826907390952675
Energy: 1.7881757992228744
Energy: 1.3451383544443807
Energy: 1.2798339956840217
Energy: 1.25837182644576
Energy: 1.2798339956840217

minimum gb energy = 1.2384166859010828 eV
minimum distance =  2.22088327522373 Angstroms
sigma value = 89


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

Energy: 1.14256783906389
Energy: 1.1428550857085844
Energy: 1.811783496065915
Energy: 1.1428550857103768
Energy: 1.1431940511432224
Energy: 1.1825866735716883
Energy: 1.165598132672473
Energy: 1.1825866735716883
Energy: 1.1618840498680076
Energy: 1.6774093005559918
Energy: 1.8919722209479386
Energy: 1.6774093004968371
Energy: 1.2630993095413343
Energy: 1.1826843763277273
Energy: 1.1654610867637654
Energy: 1.1826843763277273
Energy: 1.1613454255086522
Energy: 1.1453335199544667
Energy: 1.541935851538157
Energy: 1.1453335199544667
Energy: 1.1615256009071755
Energy: 1.1434176388634156
Energy: 1.142075752888555
Energy: 1.1434176388634156
Energy: 1.1620709570281578
Energy: 1.3772758002344154
Energy: 1.142703654852734
Energy: 1.3772758002344154
Energy: 1.1949547071608455
Energy: 1.245688114736443
Energy: 1.164212211062227
Energy: 1.2456881147382355
Energy: 1.161431901130618
Energy: 1.274167063385976
Energy: 1.1459015212561285
Energy: 1.274167063385976
Energy: 1.1819933343555504
Energy: 1.1427329949403247
Energy: 1.1613502321249947
Energy: 1.1427329949403247
Energy: 1.142290337919863
Energy: 1.1835272007734485
Energy: 1.1615321700966492
Energy: 1.1835272007734485
Energy: 1.1423598341589558
Energy: 1.379241072129447
Energy: 1.1647593131233767
Energy: 1.379241072129447
Energy: 1.1614048389939446
Energy: 1.1430865207018173
Energy: 1.194659396251431
Energy: 1.1430865207018173
Energy: 1.1616493283646254
Energy: 1.2733212534734373
Energy: 1.1617030159257642
Energy: 1.2733212534734373
Energy: 1.1459297446604602
Energy: 1.1430091079881746
Energy: 1.1613326145675509
Energy: 1.1430091079881746

minimum gb energy = 1.142075752888555 eV
minimum distance =  2.24365172333793 Angstroms
sigma value = 13


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

Energy: 1.1731601683952113
Energy: 1.4158566242302792
Energy: 1.668127653311893
Energy: 1.4158566241229076
Energy: 1.2462997944226453
Energy: 1.4385016652255416
Energy: 1.1314126914584524
Energy: 1.4385016652255416
Energy: 1.1406069282998677
Energy: 1.3008328824292055
Energy: 1.3400045144664834
Energy: 1.3008328824314594
Energy: 1.131644745837776
Energy: 1.3003721442580352
Energy: 1.1289683677212836
Energy: 1.3003721442700564
Energy: 1.1474447763852664
Energy: 1.7237954380727716
Energy: 1.2197178814295908
Energy: 1.723795438073523
Energy: 1.1278775259936655
Energy: 1.3017621907162062
Energy: 1.1460392887777953
Energy: 1.3017621907116983
Energy: 1.147579332234576
Energy: 1.6751956827168029
Energy: 1.527093744084591
Energy: 1.6751956827175543
Energy: 1.1334010424150802
Energy: 1.4566452133293455
Energy: 1.1458818592330198
Energy: 1.4566452133293455
Energy: 1.1480151795038038
Energy: 1.2368817380131234
Energy: 1.3153668739372106
Energy: 1.2368817380108696
Energy: 1.3124482070076475
Energy: 1.455224001480691
Energy: 1.1290190363678358
Energy: 1.455224001478437
Energy: 1.1476912292495351
Energy: 1.2588576843915449
Energy: 1.128746899437616
Energy: 1.2588576843915449
Energy: 1.4608302182030009
Energy: 1.3890082505597825
Energy: 1.1379289064545743
Energy: 1.3890082505605341
Energy: 1.1813968989621824
Energy: 1.1541905438269333
Energy: 1.169616036076899
Energy: 1.1541905438269333
Energy: 1.4148556065108513
Energy: 1.2571598863895723
Energy: 1.1361234063683558
Energy: 1.2571598863895723
Energy: 1.1480907632546935
Energy: 1.296990268832168
Energy: 1.139920068129074
Energy: 1.296990268832168
Energy: 1.1270503913862489
Energy: 1.4588449239360135
Energy: 1.1261824692794735
Energy: 1.4588449239360135
Energy: 1.1424636581456231
Energy: 1.2945696658971666
Energy: 1.1259168637060053
Energy: 1.294569662546995
Energy: 1.1678884798334181
Energy: 1.233316209004483
Energy: 1.1414612743957664
Energy: 1.2333162090029803
Energy: 1.1430646269172486
Energy: 1.2907371313795155
Energy: 1.1412692106191258
Energy: 1.2907371329640664
Energy: 1.14246311851707
Energy: 1.291091228127493
Energy: 1.1414305346013585
Energy: 1.2910912281289957
Energy: 1.1679403401393094
Energy: 1.2333042496429723
Energy: 1.1414266571881755
Energy: 1.2333042496437239
Energy: 1.1428351471131766
Energy: 1.2946376434712688
Energy: 1.126048698706048
Energy: 1.2946376434712688
Energy: 1.1272517643677293
Energy: 1.4586165226283618
Energy: 1.126219798170538
Energy: 1.45861652263287
Energy: 1.1480682748637632
Energy: 1.2963896029824324
Energy: 1.1375353081760105
Energy: 1.2963896029824324
Energy: 1.4152304327403145
Energy: 1.2569730198381859
Energy: 1.1378450098516788
Energy: 1.2569730198246618
Energy: 1.1810984572712753
Energy: 1.1544106942110006
Energy: 1.1308609172858786
Energy: 1.1544106942110006
Energy: 1.460616156540719
Energy: 1.3890398033718394
Energy: 1.136643743907007
Energy: 1.3890398033710882
Energy: 1.147064266560228
Energy: 1.2592787090830921
Energy: 1.1250283623459307
Energy: 1.259278709080838
Energy: 1.3124179444192015
Energy: 1.6760915595031212
Energy: 1.1289424001582784
Energy: 1.6760915595046237
Energy: 1.1477498280031277
Energy: 1.2369955575958396
Energy: 1.2737267926513738
Energy: 1.2369955575935856
Energy: 1.1333250884569777
Energy: 1.4581466136411785
Energy: 1.1458425842208146
Energy: 1.4581466136411785
Energy: 1.147809608297104
Energy: 1.674312775174677
Energy: 1.417144929177765
Energy: 1.674312775174677
Energy: 1.1278052573564226
Energy: 1.3020526905770329
Energy: 1.1459042180060592
Energy: 1.3020526905770329
Energy: 1.1471896865899078
Energy: 1.7242412498435802
Energy: 1.4286907251262082
Energy: 1.7242412498428288
Energy: 1.131657640167933
Energy: 1.3003040466232767
Energy: 1.1289438804172816
Energy: 1.30030404662396

minimum gb energy = 1.1250283623459307 eV
minimum distance =  2.21713521033256 Angstroms
sigma value = 37


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

Energy: 1.2233028231349679
Energy: 1.222486817717807
Energy: 1.0956454834817593
Energy: 1.222486817717807
Energy: 1.3121931182417752
Energy: 1.4427261935124445
Energy: 1.062853801144502
Energy: 1.4427261935124445
Energy: 1.0844647767444726
Energy: 1.70611957628145
Energy: 1.4109695169933494
Energy: 1.7061195762827428
Energy: 1.1619506051093882
Energy: 1.2077860075479863
Energy: 1.06288373999019
Energy: 1.2077860075479863
Energy: 1.06184565209501
Energy: 1.089424668743388
Energy: 1.2037877191071469
Energy: 1.089424668743388
Energy: 1.0697379903452429
Energy: 1.5619210913874457
Energy: 1.1642385515763676
Energy: 1.5619210913874457
Energy: 1.077931231575628
Energy: 1.7043323504546888
Energy: 1.4167810120958961
Energy: 1.7043323504546888
Energy: 1.0442991797393242
Energy: 1.0905601960215645
Energy: 1.0918728270697395
Energy: 1.0905601960202718
Energy: 1.0633405956048534
Energy: 1.4420899179367939
Energy: 1.3006267565122682
Energy: 1.4420899179367939
Energy: 1.4109012277109894
Energy: 1.5728046827671038
Energy: 1.1643232771631835
Energy: 1.5728046827671038
Energy: 1.0864266704706358
Energy: 1.5114434376657035
Energy: 1.1622826911499613
Energy: 1.5114434376657035
Energy: 1.3531579940472596
Energy: 1.5037941400945252
Energy: 1.0626905782631586
Energy: 1.5037941400945252
Energy: 1.1616528171866864
Energy: 1.44229865063195
Energy: 1.0484619048515786
Energy: 1.44229865063195
Energy: 1.4162431839696012
Energy: 1.8098298114113485
Energy: 1.044368343016164
Energy: 1.8098298114100557
Energy: 1.222064356102796
Energy: 1.258195324360191
Energy: 1.0443395696465714
Energy: 1.258195324360191
Energy: 1.2228622371561542
Energy: 1.4426908423787856
Energy: 1.0623009126010894
Energy: 1.4426908423787856
Energy: 1.1616396764099728
Energy: 1.8287297303727523
Energy: 1.071490210678551
Energy: 1.8287297303727523
Energy: 1.161955832837645
Energy: 1.5099288935807442
Energy: 1.0612329335734758
Energy: 1.509928893582037
Energy: 1.061358834319454
Energy: 1.090551142778137
Energy: 1.0614122514688404
Energy: 1.090551142778137
Energy: 1.0616780298462474
Energy: 1.4424082029386913
Energy: 1.1620972172898942
Energy: 1.4424082029386913

minimum gb energy = 1.0442991797393242 eV
minimum distance =  2.21472107561651 Angstroms
sigma value = 25


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

Energy: 1.1293693812284669
Energy: 1.2361403288416877
Energy: 0.9736014872429394
Energy: 1.236140328840678
Energy: 1.4524115962151372
Energy: 1.3341457884139245
Energy: 0.9721717751798477
Energy: 1.3341457884139245
Energy: 1.0633497525386824
Energy: 1.0645369511253842
Energy: 1.228655438478516
Energy: 1.0645369511253842
Energy: 1.1435105417260125
Energy: 1.2682644884519068
Energy: 0.9810007910249372
Energy: 1.268264488452916
Energy: 0.9890496202310383
Energy: 1.3332310244931778
Energy: 1.0612768053682236
Energy: 1.3332310244921683
Energy: 1.0376381059385409
Energy: 1.3320862392234998
Energy: 0.9909666603802311
Energy: 1.3320862392234998
Energy: 0.9748086959897305
Energy: 0.9660981675495357
Energy: 1.2744661047882426
Energy: 0.9660981675495357
Energy: 0.958748835179058
Energy: 1.275627754270309
Energy: 1.0655050826126984
Energy: 1.275627754270309
Energy: 0.9712179491645085
Energy: 1.3329944947754853
Energy: 1.339690268351116
Energy: 1.3329944947744756
Energy: 0.9461542238647533
Energy: 1.1401698623312109
Energy: 1.0318014603576997
Energy: 1.14016986233222
Energy: 0.9750522264048473
Energy: 0.9685351957507913
Energy: 1.319408675577476
Energy: 0.96853519575281
Energy: 1.2294620398541938
Energy: 1.3852030340612937
Energy: 1.0656818014805847
Energy: 1.3852030340612937
Energy: 0.9831237964973752
Energy: 1.2684363134834478
Energy: 1.2397023552368993
Energy: 1.2684363134854664
Energy: 1.2090439055620466
Energy: 1.265421956262633
Energy: 0.9910847592354112
Energy: 1.265421956262633
Energy: 0.9895368185006145
Energy: 0.9688165078223955
Energy: 1.0354063247120475
Energy: 0.9688165078112924
Energy: 1.2736100238928765
Energy: 1.5021916282057415
Energy: 0.973275271051371
Energy: 1.502191628206751
Energy: 1.0681478314981288
Energy: 1.2762041670988369
Energy: 0.9485033345021616
Energy: 1.2762041670998467
Energy: 1.2568521372821055
Energy: 1.25315898242986
Energy: 0.9722849510063428
Energy: 1.25315898242986
Energy: 1.1320378514614358
Energy: 0.986160160649462
Energy: 0.9464821456153963
Energy: 0.98616016065249
Energy: 1.4481436488812518
Energy: 1.474527219755968
Energy: 0.9736735118139749
Energy: 1.4745272197610149
Energy: 1.0687364632573748
Energy: 1.219482625329856
Energy: 0.9605847630398585
Energy: 1.2194826253227902
Energy: 1.0630701381368133
Energy: 1.268823701989592
Energy: 0.9806240559959569
Energy: 1.268823701989592
Energy: 0.9897931541796164
Energy: 1.172711684001961
Energy: 1.2099034416202468
Energy: 1.17271168400297
Energy: 1.0351955365780279
Energy: 1.470894192062428
Energy: 0.9898134843159944
Energy: 1.470894192062428
Energy: 0.9736700867596282
Energy: 1.193047604785816
Energy: 1.2736269007379895
Energy: 1.1930476047364025
Energy: 0.9540932955984134
Energy: 1.192101867781719
Energy: 1.0630554542336264
Energy: 1.192101867781719

minimum gb energy = 0.9461542238647533 eV
minimum distance =  2.22725180504054 Angstroms
sigma value = 41


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

Energy: 1.18186411804033
Energy: 1.1860507624427254
Energy: 0.8883272645723232
Energy: 1.1860507624427254
Energy: 1.2502538923087765
Energy: 1.17344446890186
Energy: 0.882330945661525
Energy: 1.17344446890186
Energy: 0.9115502860656418
Energy: 1.162859139601394
Energy: 1.5495862440227044
Energy: 1.1628591395997392
Energy: 1.1783861842279404
Energy: 1.1710818138757875
Energy: 0.8824920603906452
Energy: 1.1710818138749597
Energy: 0.8763517586248422
Energy: 1.2019847449681436
Energy: 0.9544455584956737
Energy: 1.2019847449681436
Energy: 0.9489745912292169
Energy: 1.1731775566997045
Energy: 0.8824640401264813
Energy: 1.173177556698877
Energy: 0.8812961752009633
Energy: 1.1716940650275507
Energy: 0.9494887187600592
Energy: 1.1716940650258956
Energy: 0.8641211223265205
Energy: 1.049126296552574
Energy: 0.877656595729201
Energy: 1.0491262965534016
Energy: 0.8856231243810173
Energy: 1.1837080946848202
Energy: 1.1729019156234364
Energy: 1.1837080946848202
Energy: 0.8659737409138849
Energy: 1.166844964911434
Energy: 0.9127911692126534
Energy: 1.1668449649130892
Energy: 0.8813956652381298
Energy: 1.172227111626017
Energy: 1.3337744972288528
Energy: 1.172227111626017
Energy: 0.8679579206769
Energy: 1.184396940063506
Energy: 1.1831987119835499
Energy: 1.184396940063506
Energy: 0.8856260775730512
Energy: 1.3665843707182643
Energy: 1.424428161785106
Energy: 1.3665843707190917
Energy: 1.098429271956875
Energy: 1.41951098771989
Energy: 0.9127585749737973
Energy: 1.41951098771989
Energy: 0.8814047692372673
Energy: 1.1712808423362722
Energy: 1.1627022645275231
Energy: 1.1712808423354448
Energy: 1.0818292158293648
Energy: 1.2110357084678063
Energy: 0.8776473975102947
Energy: 1.2110357084669787
Energy: 0.8856436652535178
Energy: 1.0489469763586812
Energy: 1.1082121769798323
Energy: 1.0489469763686112
Energy: 1.0740769402589099
Energy: 1.0837375389989268
Energy: 0.8824685508021378
Energy: 1.0837375390014092
Energy: 0.8813889150080465
Energy: 1.0490421469827886
Energy: 0.8636425647706524
Energy: 1.0490421469852713
Energy: 1.068333476042214
Energy: 1.1835962149114758
Energy: 0.8853741033555368
Energy: 1.1835962149114758
Energy: 0.9161696573912306
Energy: 1.0484554689087633
Energy: 0.8664126421917513
Energy: 1.0484554689087633
Energy: 1.3364779786537073
Energy: 1.2967971489628176
Energy: 0.8824877812055557
Energy: 1.2967971489595074
Energy: 1.187248377971035
Energy: 1.1853314794629912
Energy: 0.8680098022085857
Energy: 1.185331479447268
Energy: 1.1825173245335656
Energy: 1.0489113462543884
Energy: 0.8855446064130437
Energy: 1.048911346250251
Energy: 0.916114531158589
Energy: 1.2791368431361907
Energy: 0.8729453684744658
Energy: 1.2791368431237777
Energy: 1.1634440149364973
Energy: 1.543737158156081
Energy: 0.8826033937618224
Energy: 1.543737158156081
Energy: 0.8815420610915372
Energy: 1.0740569221832303
Energy: 1.082276386716394
Energy: 1.0740569221774379
Energy: 0.8772481343047528
Energy: 1.3675400253767938
Energy: 0.8857897534890462
Energy: 1.3675400253767938
Energy: 0.8860968873464188
Energy: 1.1412919114195543
Energy: 1.0736875140480038
Energy: 1.141291911385626
Energy: 0.8633548937419154
Energy: 1.4190404579704654
Energy: 0.8834942085006103
Energy: 1.4190404579704654
Energy: 0.8816449068465092
Energy: 1.0475801506523246
Energy: 1.0675915217035832
Energy: 1.0475801506523246
Energy: 0.867401344573607
Energy: 1.3678725198353547
Energy: 0.9209249131923339
Energy: 1.3678725198336996

minimum gb energy = 0.8633548937419154 eV
minimum distance =  2.21630598902933 Angstroms
sigma value = 15


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

Energy: 1.085165331496577
Energy: 0.8366614287875769
Energy: 1.2899689216594583
Energy: 0.8366614287875769
Energy: 1.5475242662340376
Energy: 0.9500765613922895
Energy: 0.8320121733513343
Energy: 0.9500765613922895
Energy: 0.862517435036536
Energy: 1.064974544750221
Energy: 1.4670891440680882
Energy: 1.064974544750221
Energy: 1.1988653072595565
Energy: 0.9500143437745802
Energy: 0.8320873196311008
Energy: 0.9500143437731781
Energy: 0.828058618826936
Energy: 0.9875415970339384
Energy: 0.8748989723131633
Energy: 0.9875415970332375
Energy: 1.05070927950744
Energy: 0.9489127531368794
Energy: 0.8322600537248065
Energy: 0.9489127531354773
Energy: 0.8312579066456562
Energy: 1.075265768553902
Energy: 0.8697844345161485
Energy: 1.075265768555304
Energy: 0.9367745447696401
Energy: 1.0742171676863796
Energy: 0.8322015682604899
Energy: 1.0742171676856787
Energy: 0.8344147557750479
Energy: 0.962216052417222
Energy: 0.9948139691736487
Energy: 0.9622160521095978
Energy: 0.800235169815734
Energy: 0.9453305681086726
Energy: 0.8290592229857483
Energy: 0.9453305681016622
Energy: 0.8312541411611999
Energy: 1.063630421009276
Energy: 1.2339721469780238
Energy: 1.0636304210120802
Energy: 0.8019530951154437
Energy: 1.063000867864121
Energy: 0.8631001007884307
Energy: 1.063000867862719
Energy: 0.834510581732177
Energy: 0.8488962759614431
Energy: 1.3167916893843763
Energy: 0.8488962759635463
Energy: 0.8031634452808086
Energy: 0.8368366135037906
Energy: 1.0858934989813736
Energy: 0.8368366135044916
Energy: 0.8315015250914513
Energy: 0.9499183687923123
Energy: 1.3417453535113766
Energy: 0.9499183687923123
Energy: 0.9979893018178668
Energy: 1.0626945604347349
Energy: 0.8633293919849818
Energy: 1.0626945604361369
Energy: 0.8344511482204482
Energy: 0.8469008201503914
Energy: 1.2015846425757672
Energy: 0.8469008201097316
Energy: 0.9862155462285493
Energy: 1.104652048582491
Energy: 0.8289343086519697
Energy: 1.104652048583192
Energy: 0.8313152472884212
Energy: 0.9494722150934635
Energy: 1.0498855174537918
Energy: 0.9494722150969687
Energy: 0.9807811884883618
Energy: 1.0874452552342946
Energy: 0.8322013157035566
Energy: 1.0874452552328926
Energy: 0.8343817392906876
Energy: 0.9770581469581157
Energy: 0.9382200243574763
Energy: 0.9770581387492566
Energy: 0.9820363614505887
Energy: 1.097478098729714
Energy: 0.8375753809333288
Energy: 1.097478098730415
Energy: 0.8313489040179646
Energy: 0.9455141229390882
Energy: 0.8001010830556784
Energy: 0.9455141229404903
Energy: 1.2149099417726958
Energy: 0.9461849397531543
Energy: 0.832047430255533
Energy: 0.9461849397447419
Energy: 0.8656092263861699
Energy: 0.9792970694296811
Energy: 0.8037189801638271
Energy: 0.9792970663858129
Energy: 1.2320257234525624
Energy: 0.9585821300334356
Energy: 0.838024087581985
Energy: 0.9585821300012519
Energy: 1.0886437209753776
Energy: 0.9460816074650334
Energy: 0.8035197670917323
Energy: 0.9460816074636312
Energy: 1.3390664208227188
Energy: 0.8297888542945394
Energy: 0.8321384980681966
Energy: 0.8297888542938384
Energy: 0.8655640489370524
Energy: 1.1710610616640649
Energy: 0.8093269260066734
Energy: 1.1710610616654669
Energy: 1.061739161359223
Energy: 0.8467476428295325
Energy: 0.8380268256627317
Energy: 0.8467476428302336
Energy: 0.8314428964256354
Energy: 1.0260144650252314
Energy: 0.9862362545232563
Energy: 1.026014466416137
Energy: 1.0494730509670775
Energy: 0.9466617303197498
Energy: 0.8320996901454876
Energy: 0.9466617301529687
Energy: 0.834418956401813
Energy: 1.0593984782403336
Energy: 0.9806662875187443
Energy: 1.0593985778649109
Energy: 0.8076412044589617
Energy: 0.9783633571907973
Energy: 0.8380717860925004
Energy: 0.9783633571971064
Energy: 0.8249595758004675
Energy: 1.0276399750803284
Energy: 0.9823582839700659
Energy: 1.0276399750796272
Energy: 0.8000396563780784
Energy: 0.9463836987944777
Energy: 0.8352146049734696
Energy: 0.9463836993739737
Energy: 0.8346332633455829
Energy: 0.9769249868245097
Energy: 1.2150955947716
Energy: 0.9769249868203036

minimum gb energy = 0.8000396563780784 eV
minimum distance =  2.22758427052528 Angstroms
sigma value = 85


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

Energy: 1.035574821082165
Energy: 1.3025577187538993
Energy: 1.3247548835741472
Energy: 1.3025577187544797
Energy: 1.416981844407457
Energy: 0.897352093009775
Energy: 0.7666692702266293
Energy: 0.897352093009167
Energy: 0.9870804664363696
Energy: 0.98781436885885
Energy: 0.992249912764566
Energy: 0.9878143688393939
Energy: 1.214831856944977
Energy: 0.8977620102306817
Energy: 0.7668635219483646
Energy: 0.8977620102306817
Energy: 0.8070678998794242
Energy: 0.9547639966272887
Energy: 0.7280823339621918
Energy: 0.9547639966278969
Energy: 1.0761542237410837
Energy: 0.902256797658607
Energy: 0.7665850452130375
Energy: 0.9022567976604309
Energy: 0.7626764190650204
Energy: 1.010669951444755
Energy: 0.845819239422136
Energy: 1.010669951444147
Energy: 0.9404592983754345
Energy: 0.8975596577168234
Energy: 0.7666820703884976
Energy: 0.8975596577788122
Energy: 0.7657106612909059
Energy: 0.9692975280173186
Energy: 0.9532283760526463
Energy: 0.9692975280167107
Energy: 0.8427564118085346
Energy: 1.0107164502387325
Energy: 0.763706903886923
Energy: 1.0107164502199117
Energy: 0.7660351076104841
Energy: 1.005767082213411
Energy: 1.1016914809287366
Energy: 1.0057670822820604
Energy: 0.725382720468793
Energy: 0.8968135267170504
Energy: 0.8079491141893237
Energy: 0.8968135267115782
Energy: 0.7660207981623506
Energy: 0.9697416841894503
Energy: 1.21010758840634
Energy: 0.9697416841882341
Energy: 0.7279711185576594
Energy: 0.9878581250419237
Energy: 0.9879836874184809
Energy: 0.9878581250419237
Energy: 0.7663200506852531
Energy: 0.8971422563828465
Energy: 1.319321001452223
Energy: 0.8971422563822384
Energy: 0.7274677530303107
Energy: 0.8156204809522162
Energy: 1.0364111743817446
Energy: 0.8156204809522162
Energy: 0.7658174961877611
Energy: 0.9698469073148447
Energy: 1.3195395743238254
Energy: 0.9698469073148447
Energy: 0.899161747879589
Energy: 0.9875162841809307
Energy: 0.9879418899967644
Energy: 0.9875162841815386
Energy: 0.766182328449673
Energy: 0.8974107145193009
Energy: 1.2152351518588875
Energy: 0.8974107145211249
Energy: 0.8851682677835251
Energy: 0.9326935235012078
Energy: 0.808000833501251
Energy: 0.9326935235024238
Energy: 0.7660503744059312
Energy: 0.9697587645282342
Energy: 1.0760183415265747
Energy: 0.9697587645282342
Energy: 0.8829201821907816
Energy: 1.0060243922886505
Energy: 0.7635957445780881
Energy: 1.0060243922880425
Energy: 0.7665557673637139
Energy: 0.8972258210985053
Energy: 0.940403218247662
Energy: 0.8972258210978973
Energy: 0.8888357328770494
Energy: 1.1791934890258076
Energy: 0.7666504912560568
Energy: 1.1791934890422238
Energy: 0.7659849587471808
Energy: 0.8971228014323765
Energy: 0.8332081095173884
Energy: 0.8971228014323765
Energy: 1.0924694538396937
Energy: 0.9873290188656179
Energy: 0.76670436326322
Energy: 0.9873290188650098
Energy: 0.8099944535028978
Energy: 0.8967495452548029
Energy: 0.7250809163274541
Energy: 0.8967495452468989
Energy: 1.0978119056354074
Energy: 0.938979125093691
Energy: 0.7661811256946344
Energy: 0.938979125094299
Energy: 0.9905729205877318
Energy: 0.987410642386502
Energy: 0.7281581181535277
Energy: 0.987410642385286
Energy: 1.319603219313646
Energy: 0.8974976240882265
Energy: 0.7661760615849035
Energy: 0.8974976240876186
Energy: 1.0387218396701576
Energy: 1.0061622378510482
Energy: 0.7275098466450899
Energy: 1.0061622378510482
Energy: 1.2498320654028232
Energy: 1.028512529118384
Energy: 0.7662660677605736
Energy: 1.0285125291196
Energy: 0.9906707527012385
Energy: 0.9874613427506351
Energy: 0.7359986311306442
Energy: 0.9874613427512431
Energy: 1.2270442465476596
Energy: 0.8977847702801208
Energy: 0.7662304954656891
Energy: 0.8977847702801208
Energy: 0.8101401278400224
Energy: 1.037403987187208
Energy: 0.8863920959991295
Energy: 1.0374039871878158
Energy: 0.9557309321033078
Energy: 1.3187244938439437
Energy: 0.7664890671835627
Energy: 1.318724493843336
Energy: 0.7659500771052865
Energy: 1.0070953835658911
Energy: 0.8823683436102485
Energy: 1.0070953835664993
Energy: 0.940191286019012
Energy: 0.9875375407163538
Energy: 0.7655595503494189
Energy: 0.9875375407151379
Energy: 0.7666029042660298
Energy: 0.8968543725516256
Energy: 0.8890327156062682
Energy: 0.8968543724847727
Energy: 0.7350297521906146
Energy: 1.2052236033632153
Energy: 0.7624954937777241
Energy: 1.2052236033650396
Energy: 0.765460409139
Energy: 0.89662906504555
Energy: 1.092244760200101
Energy: 0.8966290650121375
Energy: 0.7250172090333611
Energy: 0.8965926734160857
Energy: 0.8067544896607076
Energy: 0.8965926734154777
Energy: 0.7663447066897594
Energy: 0.807011113131046
Energy: 1.0972751235969034
Energy: 0.8070111131304379

minimum gb energy = 0.7250172090333611 eV
minimum distance =  2.26259992639327 Angstroms
sigma value = 113


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

Energy: 0.02052193273429507
Energy: 0.021257524455360496
Energy: 1.1302307376586351
Energy: 0.021257524455360496
Energy: 1.1292642667007031
Energy: 1.8142222641903276
Energy: 0.4612406222699949
Energy: 1.8142222641903276
Energy: 0.02052193273429507
Energy: 0.0212575244558279
Energy: 1.1302307377107244
Energy: 0.021257524455360496
Energy: 1.1292642667007031
Energy: 1.814222264190795
Energy: 0.46124062227041035
Energy: 1.8142222641889771
Energy: 0.02052193273429507
Energy: 0.0212575244558279
Energy: 1.1302307374823208
Energy: 0.021257524455360496
Energy: 1.1292642667007031
Energy: 1.8142222641903276
Energy: 0.4612406222699949
Energy: 1.814222264189912

minimum gb energy = 0.02052193273429507 eV
minimum distance =  2.44519001787498 Angstroms
sigma value = 1