Model name: model_name=EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_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=3.5192944586277033
cohesive_energy=4.450092203858591
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: 0.019986570797882023
Energy: 0.020993540698751974
Energy: 1.1388911651946148
Energy: 0.02099354069809018
Energy: 0.020993540698751974
Energy: 0.8432787878398161
Energy: 0.020993540698751974
Energy: 0.8432787878398161
Energy: 1.13889116519399
Energy: 0.020993540698751974
Energy: 0.019986570797882023
Energy: 0.020993540698751974
Energy: 0.020993540698751974
Energy: 0.8432787878398161
Energy: 0.020993540698751974
Energy: 0.8432787878398161

minimum gb energy = 0.019986570797882023 eV
minimum distance =  2.4471512730599 Angstroms
sigma value = 1


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

Energy: 1.300537206569716
Energy: 1.3627438622713834
Energy: 1.2765398501655814
Energy: 1.362743862270581
Energy: 1.324789066134339
Energy: 1.3758022237931338
Energy: 1.3219605050004937
Energy: 1.3758022237915286
Energy: 1.2502340022259495
Energy: 1.3515804373352305
Energy: 1.2846164230066317
Energy: 1.3515804373360332
Energy: 1.3017775805466403
Energy: 1.2949149380648377
Energy: 1.2629140678508564
Energy: 1.294914938066443
Energy: 1.3027250362169607
Energy: 1.3866374882822181
Energy: 1.3072205211929435
Energy: 1.3866374882814154
Energy: 1.232556700933229
Energy: 1.2798185210337083
Energy: 1.1933423777931436
Energy: 1.2798185210321031
Energy: 1.3663361490397594
Energy: 1.3696284739702105
Energy: 1.236147998896778
Energy: 1.3696284739726186
Energy: 1.1788846910265922
Energy: 1.3888811894767683
Energy: 1.1947815187634427
Energy: 1.3888811894759656
Energy: 1.2599029753747175
Energy: 1.2810447758411294
Energy: 1.3508119340592222
Energy: 1.2810447758411294
Energy: 1.193667732946092
Energy: 1.3502856128469496
Energy: 1.1649291640706534
Energy: 1.3502856128453444
Energy: 1.3462734097151523
Energy: 1.3850383926986372
Energy: 1.258886443409292
Energy: 1.3850383926986372
Energy: 1.2281801594078807
Energy: 1.3871219956897838
Energy: 1.2048598217139983
Energy: 1.3871219956905865
Energy: 1.3157600284119784
Energy: 1.4114428678463242
Energy: 1.3649580318563412
Energy: 1.4114428678455215
Energy: 1.3081415888539838
Energy: 1.3367404441610171
Energy: 1.2334101530255015
Energy: 1.3367404441602144
Energy: 1.31351591398737
Energy: 1.3846418709056652
Energy: 1.3181610449063843
Energy: 1.3846418709064678
Energy: 1.3096535703582803
Energy: 1.426649055520733
Energy: 1.3190242097859088
Energy: 1.426649055520733
Energy: 1.284609044270343
Energy: 1.3517811732968155
Energy: 1.2011635465910644
Energy: 1.351781173297618
Energy: 1.3203581249311391
Energy: 1.439281462946005
Energy: 1.3665708133225747
Energy: 1.4392814629443997
Energy: 1.2158055417333957
Energy: 1.3896903212118086
Energy: 1.2034557456625072
Energy: 1.3896903212134137
Energy: 1.3625451547680612
Energy: 1.279218245670354
Energy: 1.2594044882721163
Energy: 1.2792182456719592
Energy: 1.1969467224430357
Energy: 1.3515291296657896
Energy: 1.1721033145223865
Energy: 1.3515291296665923
Energy: 1.261314385230461
Energy: 1.2945515041405866
Energy: 1.3382630083218692
Energy: 1.2945515041381788
Energy: 1.323925332881164
Energy: 1.3845972865054834
Energy: 1.224325786425507
Energy: 1.3845972865078913
Energy: 1.2782483935016755
Energy: 1.374872167860098
Energy: 1.2326898090832767
Energy: 1.374872167860098
Energy: 1.2358996551700185
Energy: 1.2800576711628773
Energy: 1.3552346109913536
Energy: 1.2800576711628773
Energy: 1.3026407364207722
Energy: 1.3884842421995132
Energy: 1.2580650965940878
Energy: 1.3884842421995132
Energy: 1.3165960837132862
Energy: 1.4407757127771657
Energy: 1.257106493955441
Energy: 1.4407757127755605
Energy: 1.253153331413515
Energy: 1.3475319475903513
Energy: 1.2852175514909414
Energy: 1.347531947587141
Energy: 1.3270605058159577
Energy: 1.4371469514792308
Energy: 1.308562905326967
Energy: 1.4371469514792308
Energy: 1.30086427402197
Energy: 1.3651555565868017
Energy: 1.269276255607538
Energy: 1.365155556585999
Energy: 1.2868335362662884
Energy: 1.3840842602209478
Energy: 1.3160386106120803
Energy: 1.3840842602225532
Energy: 1.280049577807261
Energy: 1.346993911215084
Energy: 1.3078231683039592
Energy: 1.3469939112142815
Energy: 1.3064959581777322
Energy: 1.2949829338851642
Energy: 1.2654254997592913
Energy: 1.2949829338843615

minimum gb energy = 1.1649291640706534 eV
minimum distance =  2.18800505063447 Angstroms
sigma value = 1


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

Energy: 1.367813118953256
Energy: 1.4076387065634297
Energy: 1.3119250105929263
Energy: 1.40763870656526
Energy: 1.3563942779915232
Energy: 1.4623196429989647
Energy: 1.3779971545917795
Energy: 1.4623196430044556
Energy: 1.3143704840502481
Energy: 1.3939184208256876
Energy: 1.36370733308868
Energy: 1.3939184208174515
Energy: 1.252356793228336
Energy: 1.2998848822756697
Energy: 1.2835892726424738
Energy: 1.299884882272924
Energy: 1.25234784020083
Energy: 1.4492928694464386
Energy: 1.37033034720171
Energy: 1.4492928694528446
Energy: 1.2826361502496508
Energy: 1.450588850976053
Energy: 1.3087039894634134
Energy: 1.450588850970562
Energy: 1.3637470009886263
Energy: 1.2999693575562834
Energy: 1.2847876013408701
Energy: 1.2999693575590288
Energy: 1.2094812529223378
Energy: 1.406420495458884
Energy: 1.2545501718998429
Energy: 1.4064204954543085
Energy: 1.2591136146707327
Energy: 1.3531786916384567
Energy: 1.4217451080303578
Energy: 1.3531786916357116
Energy: 1.251305359097069
Energy: 1.4690323120781204
Energy: 1.2551073796747214
Energy: 1.4690323120826958
Energy: 1.3632104883569744
Energy: 1.485158062654084
Energy: 1.3781295014043677
Energy: 1.4851580626623198
Energy: 1.2347912051854917
Energy: 1.41412006076118
Energy: 1.3401590133155303
Energy: 1.4141200607556892
Energy: 1.4049325236581276
Energy: 1.4560378678580974
Energy: 1.3488696580401254
Energy: 1.456037867859886
Energy: 1.4048398427167068
Energy: 1.4560500764936593
Energy: 1.316761363970663
Energy: 1.4560500764964046
Energy: 1.2347216301864885
Energy: 1.4141550705914099
Energy: 1.340186541453246
Energy: 1.4141550705868342
Energy: 1.3632414526983536
Energy: 1.48514110419203
Energy: 1.3780854232241488
Energy: 1.4851411041865392
Energy: 1.251286407331575
Energy: 1.4690460528661637
Energy: 1.231645097724091
Energy: 1.4690460528725695
Energy: 1.2590743948157315
Energy: 1.3532406983719087
Energy: 1.4216983122673483
Energy: 1.3532406983764842
Energy: 1.2097274125993103
Energy: 1.4065816910423752
Energy: 1.250371827866113
Energy: 1.4065816910350541
Energy: 1.363722160481331
Energy: 1.2999404959217495
Energy: 1.283127694941992
Energy: 1.2999404959226646
Energy: 1.2827453823028505
Energy: 1.4505611912549656
Energy: 1.2434706000439653
Energy: 1.4505611912531353
Energy: 1.2525789972360897
Energy: 1.4494333085913964
Energy: 1.3588852408180978
Energy: 1.4494333085941418
Energy: 1.252344996930951
Energy: 1.2998867691064593
Energy: 1.2864172811259038
Energy: 1.2998867691018838
Energy: 1.3141965727798655
Energy: 1.3936301061975938
Energy: 1.3637071301695147
Energy: 1.3936301061939331
Energy: 1.3563352708680163
Energy: 1.4622556066707921
Energy: 1.377987116257639
Energy: 1.4622556066707921
Energy: 1.367813118953256
Energy: 1.4076387065634297
Energy: 1.3164238571391398
Energy: 1.40763870656526
Energy: 1.3563942779915232
Energy: 1.4623196429989647
Energy: 1.3779971545917795
Energy: 1.4623196430044556
Energy: 1.3143704840502481
Energy: 1.3939184208256876
Energy: 1.3097331988833119
Energy: 1.3939184208183666
Energy: 1.2523567932274209
Energy: 1.2998848822765847
Energy: 1.2626679676810446
Energy: 1.2998848822738391

minimum gb energy = 1.2094812529223378 eV
minimum distance =  2.17829999537262 Angstroms
sigma value = 25


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

Energy: 1.3416615327509653
Energy: 1.4658671916106487
Energy: 1.4378966435148826
Energy: 1.4658671916117123
Energy: 1.422545265336288
Energy: 1.4356821818266603
Energy: 1.317786919097119
Energy: 1.4356821818266603
Energy: 1.3755923062268816
Energy: 1.5149940915360387
Energy: 1.3164302637951955
Energy: 1.5149940915371025
Energy: 1.3197532129129064
Energy: 1.3258702090068488
Energy: 1.296279604907003
Energy: 1.3258702090068488
Energy: 1.2948454591821383
Energy: 1.4946575315820065
Energy: 1.4300981929137677
Energy: 1.4946575315809427
Energy: 1.3515437178737857
Energy: 1.5128542747007327
Energy: 1.435849024779402
Energy: 1.5128542747017966
Energy: 1.435940651265329
Energy: 1.320890619435453
Energy: 1.3372590739976906
Energy: 1.320890619435453
Energy: 1.4129298278310582
Energy: 1.4288141696175332
Energy: 1.3018987089169007
Energy: 1.4288141696175332
Energy: 1.33614508144551
Energy: 1.5147439384719747
Energy: 1.436153886456653
Energy: 1.5147439384719747
Energy: 1.317873444856169
Energy: 1.5084743162133416
Energy: 1.2874478599574894
Energy: 1.5084743162133416
Energy: 1.4163069057865434
Energy: 1.5070289485364352
Energy: 1.4142838225120606
Energy: 1.5070289485364352
Energy: 1.400237055223892
Energy: 1.4187436530561535
Energy: 1.414572402286577
Energy: 1.4187436530561535
Energy: 1.3162142329805624
Energy: 1.4104055355280662
Energy: 1.28844833080377
Energy: 1.4104055355280662
Energy: 1.341522825618065
Energy: 1.4365622434722303
Energy: 1.4358390186331689
Energy: 1.4365622434722303
Energy: 1.31168130975329
Energy: 1.4801084370195443
Energy: 1.3026773507837017
Energy: 1.4801084370195443
Energy: 1.4301893970859674
Energy: 1.3211121740824998
Energy: 1.3105970864091165
Energy: 1.321112174081436
Energy: 1.2553146543527516
Energy: 1.5010953465913983
Energy: 1.2543775803858488
Energy: 1.5010953465924621
Energy: 1.2959504858402686
Energy: 1.4935972750218562
Energy: 1.4191959124789117
Energy: 1.4935972750207924
Energy: 1.3209320845731207
Energy: 1.3247153407813566
Energy: 1.2951592654825588
Energy: 1.3247153407802927
Energy: 1.4355076674383052
Energy: 1.5205535652328708
Energy: 1.3165083032849751
Energy: 1.520553565233935
Energy: 1.3264141043584974
Energy: 1.4436927657761267
Energy: 1.316336225196088
Energy: 1.4436927657761267
Energy: 1.342686902299789
Energy: 1.4771218104069852
Energy: 1.4255562846893568
Energy: 1.4771218104069852
Energy: 1.4223950629987725
Energy: 1.4448243358280406
Energy: 1.3174526885436015
Energy: 1.4448243358291044
Energy: 1.390858646718177
Energy: 1.5283065257985566
Energy: 1.3178534105729154
Energy: 1.5283065257974926
Energy: 1.4303381557067014
Energy: 1.3260818698668608
Energy: 1.3117703922214488
Energy: 1.3260818698679246

minimum gb energy = 1.2543775803858488 eV
minimum distance =  2.2234752098765 Angstroms
sigma value = 9


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

Energy: 1.392151780577011
Energy: 1.391525941125255
Energy: 1.5254466244096294
Energy: 1.391525941125255
Energy: 1.388654740158289
Energy: 1.5096456416560073
Energy: 1.4862466013142588
Energy: 1.5096456416534692
Energy: 1.4438121226729184
Energy: 1.562167498737551
Energy: 1.3781407991063863
Energy: 1.562167498736282
Energy: 1.5251681101388945
Energy: 1.3617922350193434
Energy: 1.3076555555826828
Energy: 1.3617922350168052
Energy: 1.430160800329926
Energy: 1.5149254256240439
Energy: 1.5188652686483475
Energy: 1.5149254256215057
Energy: 1.289724205464362
Energy: 1.3954461295725307
Energy: 1.4964781272596241
Energy: 1.3954461295725307
Energy: 1.502066217422195
Energy: 1.3069638557674557
Energy: 1.3083267979085518
Energy: 1.3069638557674557
Energy: 1.4051477401345676
Energy: 1.3953021619280024
Energy: 1.3049846055834708
Energy: 1.3953021619280024
Energy: 1.3921525923759295
Energy: 1.5094728049040236
Energy: 1.481662911511602
Energy: 1.5094728049040236
Energy: 1.391348546528811
Energy: 1.393652190969672
Energy: 1.4998626962423813
Energy: 1.3936521909722102
Energy: 1.3411897129090693
Energy: 1.4918706265731805
Energy: 1.3977399307671257
Energy: 1.4918706265744495
Energy: 1.5258526853086247
Energy: 1.477680510032746
Energy: 1.3070377385249607
Energy: 1.477680510036553
Energy: 1.290043401313733
Energy: 1.5621907613689303
Energy: 1.3232766552276922
Energy: 1.562190761370199
Energy: 1.4187097039248229
Energy: 1.3802597585980472
Energy: 1.5079748527784334
Energy: 1.380259758595509
Energy: 1.2900472981789308
Energy: 1.5623510107776544
Energy: 1.3687550160792707
Energy: 1.5623510107789234
Energy: 1.5258615834469158
Energy: 1.4776431346291556
Energy: 1.3071629624909926
Energy: 1.4776431346291556
Energy: 1.3412129406268303
Energy: 1.4919010106040473
Energy: 1.3977382920972128
Energy: 1.4919010106078543
Energy: 1.3913512350506398
Energy: 1.3936388539944131
Energy: 1.499795117997535
Energy: 1.3936388539893365
Energy: 1.3921576571390049
Energy: 1.5094814943508148
Energy: 1.4924613846839645
Energy: 1.5094814943508148
Energy: 1.4052818838588805
Energy: 1.3953845609252564
Energy: 1.3049688087906592
Energy: 1.3953845609252564
Energy: 1.501526905216203
Energy: 1.3069129508181905
Energy: 1.3082952606941862
Energy: 1.3069129508169213

minimum gb energy = 1.289724205464362 eV
minimum distance =  2.29069303740111 Angstroms
sigma value = 25


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

Energy: 1.3311305109940357
Energy: 1.575355020568984
Energy: 1.633168971252602
Energy: 1.575355020568984
Energy: 1.3078479471137878
Energy: 1.5113153166711317
Energy: 1.3101448477610602
Energy: 1.511315316669562
Energy: 1.5132854908218742
Energy: 1.4881540264963473
Energy: 1.3101584196207046
Energy: 1.4881540264932083
Energy: 1.544865608716559
Energy: 1.4656860353471115
Energy: 1.4631017939850999
Energy: 1.4656860353471115
Energy: 1.4615435811859134
Energy: 1.307298545248074
Energy: 1.3101913277204162
Energy: 1.307298545248074
Energy: 1.311709628403364
Energy: 1.6413617374713747
Energy: 1.510713489869304
Energy: 1.6413617374698055
Energy: 1.309760989790155
Energy: 1.410798068468299
Energy: 1.4982467694168877
Energy: 1.4107980684698684
Energy: 1.6432976047249659
Energy: 1.5776927615277494
Energy: 1.3330712050281321
Energy: 1.5776927615277494
Energy: 1.3099127903609977
Energy: 1.4542979952934205
Energy: 1.3102692458792264
Energy: 1.4542979952934205
Energy: 1.465844786263184
Energy: 1.4863575343254958
Energy: 1.5105702413599682
Energy: 1.4863575343254958
Energy: 1.4654302017766234
Energy: 1.4645538173148671
Energy: 1.611363793102704
Energy: 1.4645538173148671
Energy: 1.5106916766332916
Energy: 1.347006857233849
Energy: 1.4639689390642243
Energy: 1.347006857233849
Energy: 1.4650509861288372
Energy: 1.487815881706632
Energy: 1.3097364356585721
Energy: 1.487815881706632
Energy: 1.499056431690082
Energy: 1.4604333562639058
Energy: 1.5450125220493311
Energy: 1.460433356265475
Energy: 1.3055399414899893
Energy: 1.459967944141132
Energy: 1.6467895039509304
Energy: 1.459967944141132
Energy: 1.3092694629948314
Energy: 1.4871720067451177
Energy: 1.3118709610689006
Energy: 1.4871720067451177
Energy: 1.5133992917148826
Energy: 1.43156402762204
Energy: 1.4625375300066417
Energy: 1.4315640276204706

minimum gb energy = 1.3055399414899893 eV
minimum distance =  2.29770696584258 Angstroms
sigma value = 17


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

Energy: 1.463899625563755
Energy: 1.4649980064837738
Energy: 1.6472447932882068
Energy: 1.4649980064811075
Energy: 1.5457958196252626
Energy: 1.4499697789262083
Energy: 1.3627304788640964
Energy: 1.4499697789262083
Energy: 1.6374799613050421
Energy: 1.5026739011596693
Energy: 1.3626272306826717
Energy: 1.5026739011587806
Energy: 1.4618011151958203
Energy: 1.5999129971207267
Energy: 1.4525378956138033
Energy: 1.5999129971198378
Energy: 1.5440243663942914
Energy: 1.5022571880944122
Energy: 1.4504266325679132
Energy: 1.5022571880953013
Energy: 1.3671173837177115
Energy: 1.5104850861776966
Energy: 1.6280435338199233
Energy: 1.510485086176808
Energy: 1.4505426271305277
Energy: 1.4477895652354769
Energy: 1.4510824852877513
Energy: 1.4477895652336992
Energy: 1.6281820949714478
Energy: 1.511160496143215
Energy: 1.3665027621538524
Energy: 1.5111604961423262
Energy: 1.4687534491464973
Energy: 1.598346366236695
Energy: 1.5123560928865416
Energy: 1.5983463662349173
Energy: 1.6055518700286426
Energy: 1.4309740019182482
Energy: 1.4656703763634902
Energy: 1.430974001919137
Energy: 1.3655298804133744
Energy: 1.529499852530478
Energy: 1.636898523489819
Energy: 1.529499852530478
Energy: 1.4768383501268914
Energy: 1.4476568490574144
Energy: 1.4543817677643898
Energy: 1.4476568490565254
Energy: 1.6570373569732997
Energy: 1.4478938109491621
Energy: 1.4656744920830096
Energy: 1.4478938109482735
Energy: 1.3645378178429464
Energy: 1.5541884891828452
Energy: 1.5458872935326888
Energy: 1.5541884891837339
Energy: 1.4633470048030286
Energy: 1.5127953477978267
Energy: 1.476476772897903
Energy: 1.5127953477978267
Energy: 1.4992807398265384
Energy: 1.4100673917232196
Energy: 1.5079032861490342
Energy: 1.4100673917249569
Energy: 1.474059931241996
Energy: 1.4755099084889656
Energy: 1.6381649208554654
Energy: 1.4755099084889656
Energy: 1.593146479754956
Energy: 1.471226274904591
Energy: 1.3671794708664813
Energy: 1.471226274904591
Energy: 1.4507745988806149
Energy: 1.4477253368418648
Energy: 1.4898546300149738
Energy: 1.4477253368454204
Energy: 1.450553169772652
Energy: 1.5964452040747972
Energy: 1.4736999606927217
Energy: 1.5964452040739083
Energy: 1.4342790013740374
Energy: 1.5593200683138344
Energy: 1.499643033334088
Energy: 1.559320068314723
Energy: 1.462801952465522
Energy: 1.5853302641182492
Energy: 1.6082430467763582
Energy: 1.5853302641182492
Energy: 1.530670463136543
Energy: 1.5561413159305126
Energy: 1.362713253978387
Energy: 1.5561413159322903
Energy: 1.452860133615617
Energy: 1.5129048929801692
Energy: 1.6595352868143545
Energy: 1.5129048929801692
Energy: 1.4528720393773218
Energy: 1.5459506683208608
Energy: 1.6563228681372053
Energy: 1.5459506683217499
Energy: 1.5991120484846182
Energy: 1.5553594212098665
Energy: 1.3633069354552985
Energy: 1.5553594212098665
Energy: 1.4223307652966164
Energy: 1.5817504066770411
Energy: 1.6190886410539478
Energy: 1.5817504066770411
Energy: 1.5070009171413579
Energy: 1.4102695618865633
Energy: 1.5011107100545513
Energy: 1.4102695618847856
Energy: 1.638587977481253
Energy: 1.6008621957544682
Energy: 1.473809732351193
Energy: 1.6008621957535794
Energy: 1.36644639796352
Energy: 1.5101569944558833
Energy: 1.5936646229233185
Energy: 1.5101569944532167

minimum gb energy = 1.3626272306826717 eV
minimum distance =  2.22099549468114 Angstroms
sigma value = 53


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

Energy: 1.3073490236705294
Energy: 1.3079420271872573
Energy: 1.6210300781702702
Energy: 1.3079420271913498
Energy: 1.4964414060571882
Energy: 1.4264281162947923
Energy: 1.5275748902828685
Energy: 1.4264281162947923
Energy: 1.3724110279251176
Energy: 1.3271423593810845
Energy: 1.4630581873308806
Energy: 1.3271423593810845
Energy: 1.3724069032223485
Energy: 1.3270462099980633
Energy: 1.4729188992867193
Energy: 1.3270462099960172
Energy: 1.4965556070347013
Energy: 1.4264291646653273
Energy: 1.4682209457804862
Energy: 1.4264291646653273
Energy: 1.307349023674622
Energy: 1.3079420271893034
Energy: 1.7052419945777757
Energy: 1.3079420271913498
Energy: 1.4964270817966945
Energy: 1.4264281162927461
Energy: 1.510229253483914
Energy: 1.4264281162927461
Energy: 1.3724114090169264
Energy: 1.3271423593831306
Energy: 1.4630581873308806
Energy: 1.3271423593810845
Energy: 1.3724247171703794
Energy: 1.3270462099960172
Energy: 1.5236578288691707
Energy: 1.3270462099980633
Energy: 1.4965491590322555
Energy: 1.4264291646653273
Energy: 1.440705817475699
Energy: 1.4264291646673735
Energy: 1.3073490236725755
Energy: 1.3079420271872573
Energy: 1.7393721007432832
Energy: 1.3079420271913498
Energy: 1.4964439994938628
Energy: 1.4264281162947923
Energy: 1.5102292534818675
Energy: 1.4264281162947923
Energy: 1.3724189749935518
Energy: 1.3271423593810845
Energy: 1.510117083010498
Energy: 1.3271423593810845

minimum gb energy = 1.3073490236705294 eV
minimum distance =  2.29741632574835 Angstroms
sigma value = 9


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

Energy: 1.4177036164477785
Energy: 1.6702885551245827
Energy: 1.783836319636757
Energy: 1.6702885551260975
Energy: 1.714682135129783
Energy: 1.4915720838877544
Energy: 1.4474643470522515
Energy: 1.4915720838885116
Energy: 1.4786763319253304
Energy: 1.5784342327461374
Energy: 1.4362267345459274
Energy: 1.5784342327446228
Energy: 1.6042977114936847
Energy: 1.5180075032753142
Energy: 1.4342584045084588
Energy: 1.5180075032775864
Energy: 1.702465693351526
Energy: 1.4791136161365337
Energy: 1.4134551679586276
Energy: 1.4791136161342617
Energy: 1.4057994544936907
Energy: 1.4058497085033872
Energy: 1.6325519654090208
Energy: 1.405849708501115
Energy: 1.8054159092376307
Energy: 1.609635987705645
Energy: 1.4608587340215264
Energy: 1.6096359877048878
Energy: 1.4654634137008808
Energy: 1.6528466417395375
Energy: 1.5870505941103061
Energy: 1.6528466417402952
Energy: 1.4689960956741492
Energy: 1.6017284587364764
Energy: 1.40784724973841
Energy: 1.6017284587379914
Energy: 1.4056317469758688
Energy: 1.4828998486420344
Energy: 1.4042472519683875
Energy: 1.4828998486427918
Energy: 1.4308765830493946
Energy: 1.5485232301728487
Energy: 1.8013012544321694
Energy: 1.5485232301728487
Energy: 1.6221735556765113
Energy: 1.7232014258074373
Energy: 1.4739637854482943
Energy: 1.723201425808195
Energy: 1.4520239439816587
Energy: 1.6898100989372011
Energy: 1.709268578592409
Energy: 1.6898100989364437
Energy: 1.6072112242418155
Energy: 1.673346498993245
Energy: 1.4175799757309966
Energy: 1.6733464989917304
Energy: 1.4473014837788096
Energy: 1.54344843838147
Energy: 1.60716173004223
Energy: 1.5434484383822276
Energy: 1.4504685928832888
Energy: 1.6864767558597005
Energy: 1.603506890456015
Energy: 1.686476755861215
Energy: 1.5354207895034935
Energy: 1.4420840409541529
Energy: 1.473652253814704
Energy: 1.4420840409549103
Energy: 1.4324840923894808
Energy: 1.4843275352404846
Energy: 1.6988814139199881
Energy: 1.484327535237455
Energy: 1.6830099930243234
Energy: 1.5406588990069165
Energy: 1.4062011092016715
Energy: 1.5406588990069165
Energy: 1.4520301693393598
Energy: 1.5130206502476136
Energy: 1.54735296903136
Energy: 1.5130206502491281
Energy: 1.6040803499135874
Energy: 1.658525575249392
Energy: 1.599164392047442
Energy: 1.6585255752531787
Energy: 1.5360668911177817
Energy: 1.5865554411637264
Energy: 1.4480252941189973
Energy: 1.5865554411629692
Energy: 1.408162054636853
Energy: 1.54016762688847
Energy: 1.4644536847355711
Energy: 1.5401676268899849
Energy: 1.8021315814168462
Energy: 1.6013674657280457
Energy: 1.431040159301613
Energy: 1.6013674657272885
Energy: 1.4676897860586107
Energy: 1.7620011841021184
Energy: 1.7328628127856034
Energy: 1.7620011841036332
Energy: 1.5047136283514129
Energy: 1.5468245928706172
Energy: 1.456944842275961
Energy: 1.5468245928698598
Energy: 1.4957807254423947
Energy: 1.5416089571535636
Energy: 1.610517435486128
Energy: 1.5416089571535636
Energy: 1.4142400567965963
Energy: 1.6447665665076918
Energy: 1.6077259321413162
Energy: 1.6447665665039048
Energy: 1.4985932718374346
Energy: 1.5484110360033427
Energy: 1.4330576769115966
Energy: 1.548411036005615
Energy: 1.4655147501843442
Energy: 1.7663169387999331
Energy: 1.7287864595506037
Energy: 1.7663169387991755
Energy: 1.7177687572556002
Energy: 1.5997772293210017
Energy: 1.4309755359126144
Energy: 1.599777229319487
Energy: 1.4052533052365381
Energy: 1.4799966771121225
Energy: 1.4062628249130444
Energy: 1.4799966771128796
Energy: 1.4040814345661108
Energy: 1.5799865904338948
Energy: 1.4467909538493542
Energy: 1.5799865904346522
Energy: 1.599738559013115
Energy: 1.656963564075508
Energy: 1.5976544555098453
Energy: 1.6569635640724785
Energy: 1.4545663409090257
Energy: 1.6470948121955744
Energy: 1.8053531881192308
Energy: 1.64709481219406

minimum gb energy = 1.4040814345661108 eV
minimum distance =  2.20250015635794 Angstroms
sigma value = 73


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

Energy: 1.497413165774617
Energy: 1.5456219982265855
Energy: 1.790663803517466
Energy: 1.5456219982289887
Energy: 1.5265601333195906
Energy: 1.626111033929899
Energy: 1.4460791136206037
Energy: 1.6261110339311005
Energy: 1.4808739087322964
Energy: 1.5198993037689699
Energy: 1.432743008887096
Energy: 1.5198993037677684
Energy: 1.5354337052302054
Energy: 1.6355646510233977
Energy: 1.4462307188439127
Energy: 1.635564651022196
Energy: 1.4920540740721326
Energy: 1.5264485019699847
Energy: 1.4153278543224332
Energy: 1.5264485019699847
Energy: 1.442222720217872
Energy: 1.4636098559758592
Energy: 1.748373222219957
Energy: 1.4636098559746573
Energy: 1.7994751180901776
Energy: 1.6605433502571132
Energy: 1.4746850253757322
Energy: 1.6605433502571132
Energy: 1.447445079743037
Energy: 1.5947958211160445
Energy: 1.6955256139622483
Energy: 1.59479582111487
Energy: 1.795505795541186
Energy: 1.4017772632864272
Energy: 1.4009321288166603
Energy: 1.4017772632852254
Energy: 1.4451565533350248
Energy: 1.485540934564759
Energy: 1.4011448764550238
Energy: 1.4855409345635573
Energy: 1.4452403267006229
Energy: 1.5195469767626977
Energy: 1.7126267169549059
Energy: 1.5195469767614962
Energy: 1.5906993722415175
Energy: 1.6136701119885715
Energy: 1.471427983795886
Energy: 1.6136701119873698
Energy: 1.4437141904101638
Energy: 1.5414417563286207
Energy: 1.6646123452137223
Energy: 1.541441756331024
Energy: 1.7633092024040802
Energy: 1.5850481806900585
Energy: 1.44834305977016
Energy: 1.5850481806900585
Energy: 1.4528759087043106
Energy: 1.6154676258027787
Energy: 1.6739552676269895
Energy: 1.6154676258015768
Energy: 1.7171770385339797
Energy: 1.595105143438346
Energy: 1.4430605149204239
Energy: 1.5951051434371448
Energy: 1.4984935581469054
Energy: 1.499567782210579
Energy: 1.4648328915259259
Energy: 1.4995677822069744
Energy: 1.49384007511263
Energy: 1.5289378366596234
Energy: 1.4463960019059956
Energy: 1.528937836660825
Energy: 1.6082587507216208
Energy: 1.520427934578049
Energy: 1.4405309788837575
Energy: 1.520427934578049
Energy: 1.4826090426053449
Energy: 1.558737177866113
Energy: 1.7726515899956434
Energy: 1.558737177866113
Energy: 1.723118631098909
Energy: 1.4959770094483937
Energy: 1.4478414724035142
Energy: 1.4959770094507971
Energy: 1.4462597537728863
Energy: 1.5269115628671914
Energy: 1.5332231791481346
Energy: 1.5269115628671914

minimum gb energy = 1.4009321288166603 eV
minimum distance =  2.20479792431347 Angstroms
sigma value = 7


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

Energy: 1.4372056760654233
Energy: 1.4367400375272614
Energy: 1.8846646156758269
Energy: 1.4367400375221633
Energy: 1.7568731011786969
Energy: 1.7014281235945798
Energy: 1.4641543944870263
Energy: 1.7014281235996775
Energy: 1.4528008993544668
Energy: 1.63498722788379
Energy: 1.4997059677250084
Energy: 1.6349872278769926
Energy: 1.5272760232507336
Energy: 1.5488143615009304
Energy: 1.4181793371185787
Energy: 1.54881436150178
Energy: 1.4128168082447325
Energy: 1.5049815291842694
Energy: 1.4300940000162738
Energy: 1.504981529185969
Energy: 1.415042902531363
Energy: 1.5795339254380123
Energy: 1.7706291801960579
Energy: 1.5795339254388618
Energy: 1.5820054768556406
Energy: 1.7152075279485655
Energy: 1.5230862727160814
Energy: 1.715207527957062
Energy: 1.4152294506514582
Energy: 1.5800160520489956
Energy: 1.869325842407911
Energy: 1.5800160520566426
Energy: 1.6029222884384056
Energy: 1.5278903152859626
Energy: 1.4213159561583546
Energy: 1.5278903152834136
Energy: 1.4624604934071532
Energy: 1.530207912163258
Energy: 1.5501819467233937
Energy: 1.5302079121624084
Energy: 1.5190751981822859
Energy: 1.6359506470535718
Energy: 1.4667035504056183
Energy: 1.63595064705867
Energy: 1.435127632613679
Energy: 1.5055907641475317
Energy: 1.4776215468914218
Energy: 1.5055907641458326
Energy: 1.4357889273935511
Energy: 1.4381145202508157
Energy: 1.4772837911647543
Energy: 1.4381145202499657
Energy: 1.503629717663698
Energy: 1.5901009797682848
Energy: 1.462150580846265
Energy: 1.590100979770834
Energy: 1.4591540508007341
Energy: 1.669135121358483
Energy: 1.5813600580091411
Energy: 1.6691351213627312
Energy: 1.8806452656039505
Energy: 1.4310520231069495
Energy: 1.418605018673586
Energy: 1.4310520231111978
Energy: 1.4124061361457905
Energy: 1.5271494236403698
Energy: 1.4780496840809483
Energy: 1.5271494236378205
Energy: 1.4219279489951158
Energy: 1.635044742960232
Energy: 1.5190079230633906
Energy: 1.6350447429559831
Energy: 1.4174813442522394
Energy: 1.5918560825567618
Energy: 1.5194476104198962
Energy: 1.5918560825610102
Energy: 1.412470773592399
Energy: 1.5359167593584342
Energy: 1.429272100326422
Energy: 1.5359167593652316
Energy: 1.5275837331206186
Energy: 1.5313530636140278
Energy: 1.4213907911739938
Energy: 1.5313530636072306
Energy: 1.4539160338203456
Energy: 1.639741281043191
Energy: 1.6253630450427101
Energy: 1.6397412810346943
Energy: 1.7635848042138151
Energy: 1.627414588190632
Energy: 1.4545609909877764
Energy: 1.6274145881940305
Energy: 1.441025497721053
Energy: 1.4380667288800275
Energy: 1.7185063518554622
Energy: 1.4380667288817266
Energy: 1.4350984243951017
Energy: 1.5066205476918852
Energy: 1.4629562173138337
Energy: 1.5066205476918852
Energy: 1.5187558288185619
Energy: 1.6361588480611493
Energy: 1.50698555366633
Energy: 1.6361588480628486
Energy: 1.4529705897243888
Energy: 1.5429950631715574
Energy: 1.4224742735229616
Energy: 1.5429950631715574
Energy: 1.5141966199761119
Energy: 1.5266016499780297
Energy: 1.4179570083438013
Energy: 1.52660164997718
Energy: 1.4115496314125948
Energy: 1.5796488437890708
Energy: 1.6359307671890895
Energy: 1.5796488437899205
Energy: 1.6728952638031458
Energy: 1.854769015670582
Energy: 1.4633710136646312
Energy: 1.8547690156731313
Energy: 1.4115424298182802
Energy: 1.5795931815569764
Energy: 1.760443907954899
Energy: 1.5795931815569764

minimum gb energy = 1.4115424298182802 eV
minimum distance =  2.1795436944615 Angstroms
sigma value = 29


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

Energy: 1.3845675618784856
Energy: 1.5523761818932682
Energy: 1.7996782612620128
Energy: 1.5523761818935313
Energy: 1.4217795190539748
Energy: 1.4557474134662074
Energy: 1.3843054933542716
Energy: 1.4557474134650565
Energy: 1.433262836628836
Energy: 1.455912275848317
Energy: 1.3164699401388822
Energy: 1.455912275848317
Energy: 1.3826443133319697
Energy: 1.483380436126404
Energy: 1.3840292558233709
Energy: 1.4833804361258447
Energy: 1.3850888130520382
Energy: 1.4833770097157855
Energy: 1.3901439933983735
Energy: 1.4833770097160486
Energy: 1.3979202682258245
Energy: 1.5233013819759198
Energy: 1.397937816636174
Energy: 1.5233013819753607
Energy: 1.3435404176847516
Energy: 1.4833156257742701
Energy: 1.3843510197098572
Energy: 1.483315625774566
Energy: 1.3844329787423646
Energy: 1.4834037821880561
Energy: 1.3826630662801063
Energy: 1.4834037821880561
Energy: 1.3163582634590782
Energy: 1.4558816277824258
Energy: 1.4206076727383719
Energy: 1.4558816277821296

minimum gb energy = 1.3163582634590782 eV
minimum distance =  2.22379064991277 Angstroms
sigma value = 5


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

Energy: 1.4243473854145958
Energy: 1.5268461002423002
Energy: 1.4268015950429975
Energy: 1.5268461002431026
Energy: 1.4903820924954536
Energy: 1.729017916790623
Energy: 1.3731923014109166
Energy: 1.7290179167914257
Energy: 1.357795195234534
Energy: 1.5167892683313737
Energy: 1.6069233890016354
Energy: 1.5167892683233477
Energy: 1.3545029424565986
Energy: 1.5683900857847852
Energy: 1.3827876277574944
Energy: 1.5683900857847852
Energy: 1.4006160478378022
Energy: 1.6490663246097776
Energy: 1.6159391746274194
Energy: 1.6490663246105803
Energy: 1.4407023397014527
Energy: 1.526400552391536
Energy: 1.3669207981793465
Energy: 1.526400552395549
Energy: 1.3588867910144535
Energy: 1.4863268359898243
Energy: 1.3542262602040607
Energy: 1.486326835986614
Energy: 1.3543512127588326
Energy: 1.460014372238505
Energy: 1.387301186211177
Energy: 1.4600143722369001
Energy: 1.379784944317572
Energy: 1.4708576143429581
Energy: 1.3992928422893314
Energy: 1.4708576143461687
Energy: 1.3904708019297636
Energy: 1.4764464688495138
Energy: 1.3576588011980792
Energy: 1.4764464688422905
Energy: 1.365443673549156
Energy: 1.609616848354234
Energy: 1.3639613801195838
Energy: 1.6096168483470101
Energy: 1.3919836641040555
Energy: 1.4011290403461871
Energy: 1.4963591575668107
Energy: 1.4011290403469896
Energy: 1.470607691516969
Energy: 1.3867465381636246
Energy: 1.3975378663514222
Energy: 1.3867465381644273
Energy: 1.3897755166090784
Energy: 1.5267024745034732
Energy: 1.5850402829017538
Energy: 1.5267024745018678
Energy: 1.4809637753118639
Energy: 1.7543137883127449
Energy: 1.3636567369811232
Energy: 1.754313788309534
Energy: 1.378012681154005
Energy: 1.5142188110598065
Energy: 1.6305794654571026
Energy: 1.5142188110614119
Energy: 1.4967897387555507
Energy: 1.3619596784796428
Energy: 1.373906135729146
Energy: 1.3619596784796428
Energy: 1.3946189349471132
Energy: 1.5264910965842589
Energy: 1.4602390232373044
Energy: 1.526491096586667
Energy: 1.3614066199631025
Energy: 1.484606925661408
Energy: 1.3575996185520982
Energy: 1.4846069256638161
Energy: 1.3872901422658384
Energy: 1.5057138113915067
Energy: 1.3864861709591436
Energy: 1.5057138113842834
Energy: 1.3904981418569369
Energy: 1.5612384939503678
Energy: 1.3810981193501408
Energy: 1.5612384939455521
Energy: 1.3888191913636911
Energy: 1.4758110041301333
Energy: 1.3874405986443032
Energy: 1.4758110041341461
Energy: 1.3600698052746392
Energy: 1.603609796716754
Energy: 1.355784294467071
Energy: 1.603609796716754
Energy: 1.5060357146514516
Energy: 1.5326805820140632
Energy: 1.387287874046739
Energy: 1.5326805820132607
Energy: 1.5005233581172617
Energy: 1.523816366566095
Energy: 1.376749756835363
Energy: 1.52381636656449
Energy: 1.3921792578797436
Energy: 1.5763356862378124
Energy: 1.3832448280889893
Energy: 1.5763356862354043
Energy: 1.3562611982165886
Energy: 1.3468988357733478
Energy: 1.4744990649929837
Energy: 1.3468988357709397
Energy: 1.4097276611640703
Energy: 1.4322145009462501
Energy: 1.3779415489073419
Energy: 1.4322145009470528
Energy: 1.362621036399622
Energy: 1.8059821892286456
Energy: 1.5212035510213469
Energy: 1.805982189226238
Energy: 1.5538403627075126
Energy: 1.5274810450028236
Energy: 1.3948013029017365
Energy: 1.5274810450092444
Energy: 1.3613926982063767
Energy: 1.378205573889113
Energy: 1.5067911157137108
Energy: 1.3782055738842973
Energy: 1.493194984323811
Energy: 1.4120577605692728
Energy: 1.3864258821702307
Energy: 1.4120577605676679
Energy: 1.3799012220548637
Energy: 1.563917829488668
Energy: 1.3892555751701035
Energy: 1.56391782948626

minimum gb energy = 1.3468988357709397 eV
minimum distance =  2.18696976109787 Angstroms
sigma value = 1


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

Energy: 1.484633853472735
Energy: 1.518021245173516
Energy: 1.3483646174931199
Energy: 1.5180212451712964
Energy: 1.3936316478302984
Energy: 1.765789165633729
Energy: 1.344904969334694
Energy: 1.7657891656326192
Energy: 1.3101635193276215
Energy: 1.536541797815401
Energy: 1.5725505634243166
Energy: 1.536541797816511
Energy: 1.323436450069097
Energy: 1.5735531299882672
Energy: 1.353253137367128
Energy: 1.5735531299871577
Energy: 1.3108636694247322
Energy: 1.6340162448872106
Energy: 1.4801487111962408
Energy: 1.634016244884991
Energy: 1.3116318238057367
Energy: 1.5603348262969519
Energy: 1.3518865042202073
Energy: 1.5603348262958423
Energy: 1.310815591514883
Energy: 1.4943520778826538
Energy: 1.4659094090226694
Energy: 1.4943520778826538
Energy: 1.3063273181219668
Energy: 1.4576037867463354
Energy: 1.36983372807979
Energy: 1.457603786749665
Energy: 1.3508870826164543
Energy: 1.3572675961450529
Energy: 1.3830632106505225
Energy: 1.357267596143943
Energy: 1.3504813833880598
Energy: 1.5398493730231468
Energy: 1.3528211899480809
Energy: 1.5398493730253662
Energy: 1.3108856327588834
Energy: 1.5535982489923252
Energy: 1.348056102078251
Energy: 1.5535982489923252
Energy: 1.3061688572340084
Energy: 1.5309564060957421
Energy: 1.4991564068448215
Energy: 1.5309564060935228
Energy: 1.3120317279466522
Energy: 1.397944901280614
Energy: 1.3360916059233827
Energy: 1.397944901283943
Energy: 1.3124560031307868
Energy: 1.4673487667528387
Energy: 1.4532177586609667
Energy: 1.4673487667561678
Energy: 1.4237797978377258
Energy: 1.4997687529773112
Energy: 1.3359350394355203
Energy: 1.4997687529773112
Energy: 1.310188362087349
Energy: 1.445334606402169
Energy: 1.5003978648088419
Energy: 1.4453346064032788
Energy: 1.5227722574365588
Energy: 1.538625435074059
Energy: 1.330621585142889
Energy: 1.538625435075169
Energy: 1.4846338534738448
Energy: 1.5180212451746258
Energy: 1.3483646147277344
Energy: 1.5180212451712964
Energy: 1.393631647831408
Energy: 1.7657891656359483
Energy: 1.3449049693358037
Energy: 1.7657891656359483
Energy: 1.310163519329841
Energy: 1.536541797816511
Energy: 1.572550563423207
Energy: 1.5365417978187306
Energy: 1.323436450069097
Energy: 1.573553129989377
Energy: 1.3532531373649084
Energy: 1.5735531299871577
Energy: 1.3108636694247322
Energy: 1.634016244884991
Energy: 1.4801487111962408
Energy: 1.6340162448827718
Energy: 1.3116318238046272
Energy: 1.5603348262969519
Energy: 1.351886504217988
Energy: 1.5603348262947325
Energy: 1.310815591514883
Energy: 1.4943520778837636
Energy: 1.3441687670902671
Energy: 1.4943520778826538

minimum gb energy = 1.3061688572340084 eV
minimum distance =  2.1953355880717 Angstroms
sigma value = 17


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

Energy: 1.3460894693262635
Energy: 1.332787207314853
Energy: 1.5929273155591281
Energy: 1.332787207314167
Energy: 1.4042813748301632
Energy: 1.5453004278657974
Energy: 1.3115075789618444
Energy: 1.5453004278651115
Energy: 1.3151241901481416
Energy: 1.4473803226685853
Energy: 1.6182659893767402
Energy: 1.4473803226727007
Energy: 1.3356023926627616
Energy: 1.4946144123746543
Energy: 1.3133129731111248
Energy: 1.4946144123732823
Energy: 1.3016808016285502
Energy: 1.5810379380535633
Energy: 1.394679602897571
Energy: 1.5810379380521913
Energy: 1.3162735293692212
Energy: 1.6882029218929684
Energy: 1.3320733062279602
Energy: 1.6882029218922825
Energy: 1.3203795252546842
Energy: 1.3972957109652235
Energy: 1.3215205799184249
Energy: 1.3972957109638517
Energy: 1.298208486032905
Energy: 1.5265730396448665
Energy: 1.3002834047429614
Energy: 1.5265730396428088
Energy: 1.3206991752940758
Energy: 1.5198489687249448
Energy: 1.3445749237035816
Energy: 1.5198489687228869
Energy: 1.3204039971148025
Energy: 1.5349426460629574
Energy: 1.3132352812608248
Energy: 1.5349426460629574
Energy: 1.3124008378273546
Energy: 1.5093713846112091
Energy: 1.3025844445076467
Energy: 1.5093713846118952
Energy: 1.3068872990217604
Energy: 1.3986445097691338
Energy: 1.2852807770141197
Energy: 1.3986445097732492
Energy: 1.2983041113333142
Energy: 1.7179772479573916
Energy: 1.315525851940466
Energy: 1.7179772479560196
Energy: 1.3192169156128786
Energy: 1.4251863957629867
Energy: 1.340841354688074
Energy: 1.4251863957643582
Energy: 1.3106385856226752
Energy: 1.7339556649508894
Energy: 1.3479343734557367
Energy: 1.7339556649515755
Energy: 1.3241932664256806
Energy: 1.446660236477545
Energy: 1.3966686004989055
Energy: 1.446660236478231
Energy: 1.308348481181883
Energy: 1.500132035641647
Energy: 1.3093837609034018
Energy: 1.5001320356402748
Energy: 1.2950154247430365
Energy: 1.462888023812385
Energy: 1.3135324276383018
Energy: 1.462888023812385
Energy: 1.527934946940312
Energy: 1.6910521477967677
Energy: 1.3124023010671415
Energy: 1.6910521477953961
Energy: 1.3365511283949592
Energy: 1.3134630926118325
Energy: 1.4519891498880433
Energy: 1.3134630926132045
Energy: 1.3970143763711151
Energy: 1.3136514150507868
Energy: 1.3233335453644703
Energy: 1.3136514150535306
Energy: 1.3154193142974961
Energy: 1.4623717450614966
Energy: 1.5882462617438302
Energy: 1.4623717450614966
Energy: 1.5701933233198486
Energy: 1.511017193779941
Energy: 1.3383932203464886
Energy: 1.5110171937813128
Energy: 1.31164724446288
Energy: 1.5565712495310386
Energy: 1.5292098357540167
Energy: 1.556571249528981
Energy: 1.3743828233797426
Energy: 1.4643983583704063
Energy: 1.2968617415892558
Energy: 1.4643983583690348
Energy: 1.312853305872924
Energy: 1.424260050648224
Energy: 1.30597573835575
Energy: 1.424260050648224
Energy: 1.5292343209627175
Energy: 1.5584241086456425
Energy: 1.3187488526382887
Energy: 1.5584241086449568
Energy: 1.3515517071673981
Energy: 1.5002314399726422
Energy: 1.3102566000013516
Energy: 1.5002314399719563
Energy: 1.3396833425810382
Energy: 1.4248103222666464
Energy: 1.3103793263751058
Energy: 1.424810322268018
Energy: 1.3127183559210633
Energy: 1.719296874560657
Energy: 1.3394701841165066
Energy: 1.7192968745613428
Energy: 1.2843160642874027
Energy: 1.41985579617775
Energy: 1.306469068746607
Energy: 1.4198557961722627
Energy: 1.302527245437483
Energy: 1.6807153841683973
Energy: 1.309419054610374
Energy: 1.6807153841683973
Energy: 1.310315871334186
Energy: 1.5329489772753822
Energy: 1.5365765375870433
Energy: 1.532948977276754
Energy: 1.3441442497814196
Energy: 1.5194195653843665
Energy: 1.3384206330983
Energy: 1.51941956538711
Energy: 1.2985760125105676
Energy: 1.4626788047882735
Energy: 1.330386688952252
Energy: 1.4626788047882735
Energy: 1.32308452414013
Energy: 1.3990683830890127
Energy: 1.3285206227947515
Energy: 1.3990683830890127
Energy: 1.3387012342526985
Energy: 1.6876961385935634
Energy: 1.3149150492906063
Energy: 1.6876961385928775
Energy: 1.3959390418461959
Energy: 1.5548383802776764
Energy: 1.3202930725963848
Energy: 1.5548383802783625

minimum gb energy = 1.2843160642874027 eV
minimum distance =  2.18787024439031 Angstroms
sigma value = 89


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

Energy: 1.1874317731864532
Energy: 1.1873830029830756
Energy: 1.247459078869037
Energy: 1.1873830029830756
Energy: 1.1871436350248947
Energy: 1.2350550591728264
Energy: 1.2377436979041754
Energy: 1.2350550591728264
Energy: 1.2049486054758742
Energy: 1.4743438521238168
Energy: 1.8951336201539357
Energy: 1.4743438521238168
Energy: 1.3143827135302122
Energy: 1.235275558114657
Energy: 1.2377621814328201
Energy: 1.235275558114657
Energy: 1.235703761891882
Energy: 1.1869266599482624
Energy: 1.1875159174703094
Energy: 1.1869266599500572
Energy: 1.203747543583328
Energy: 1.1886267573592009
Energy: 1.1887385005969402
Energy: 1.1886267573592009
Energy: 1.2055501676432936
Energy: 1.433498133635759
Energy: 1.1872722328755267
Energy: 1.433498133635759
Energy: 1.2092244658114175
Energy: 1.5052286123759724
Energy: 1.2376463337859156
Energy: 1.5052286123759724
Energy: 1.2357828715554748
Energy: 1.3130234875954463
Energy: 1.1790198972568247
Energy: 1.3130234875954463
Energy: 1.2991932010121618
Energy: 1.1867566851729927
Energy: 1.2361178181050596
Energy: 1.1867566851729927
Energy: 1.187323669970738
Energy: 1.2360528788662086
Energy: 1.2039525680193415
Energy: 1.236052878864414
Energy: 1.1873131003179838
Energy: 1.4495175418656885
Energy: 1.2071017508630766
Energy: 1.4495175418656885
Energy: 1.2356307486494487
Energy: 1.5831567928487096
Energy: 1.2138574247770735
Energy: 1.583156792846915
Energy: 1.2353840616298402
Energy: 1.3126198537736402
Energy: 1.235341342074472
Energy: 1.3126198537736402
Energy: 1.2096882478837228
Energy: 1.5832105771285694
Energy: 1.2356212081898936
Energy: 1.5832105771285694

minimum gb energy = 1.1790198972568247 eV
minimum distance =  2.20900115345752 Angstroms
sigma value = 13


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

Energy: 1.2141323805176842
Energy: 1.157921365892553
Energy: 1.1530671377352792
Energy: 1.1579213658940577
Energy: 1.2589690448290602
Energy: 1.3741888668595408
Energy: 1.163577113522887
Energy: 1.3741888668648066
Energy: 1.1737153157241946
Energy: 1.6451509667629227
Energy: 1.3370453060689096
Energy: 1.6451509667606663
Energy: 1.159442921047745
Energy: 1.3746141696547658
Energy: 1.1500822951498502
Energy: 1.3746141696607834
Energy: 1.1832922925399803
Energy: 1.6091460273707188
Energy: 1.2241416371532774
Energy: 1.6091460273692144
Energy: 1.141652454024981
Energy: 1.4234361152803088
Energy: 1.175320465988892
Energy: 1.4234361152772999
Energy: 1.1833398507763282
Energy: 1.6988871769476854
Energy: 1.4082623292681185
Energy: 1.6988871769537033
Energy: 1.1401766056161395
Energy: 1.6532536612946527
Energy: 1.1753367667592072
Energy: 1.6532536613006703
Energy: 1.1826681522134106
Energy: 1.438069766282247
Energy: 1.458606327613541
Energy: 1.438069766277734
Energy: 1.366769359543397
Energy: 1.6200738734432736
Energy: 1.1501028146960868
Energy: 1.6200738734425213
Energy: 1.1825969615976564
Energy: 1.2770865186986635
Energy: 1.1441352494620352
Energy: 1.2770865186896367
Energy: 1.2386471332738709
Energy: 1.6202600225095258
Energy: 1.1577076327840201
Energy: 1.620260022496738
Energy: 1.216321350691553
Energy: 1.176614321702912
Energy: 1.1922316343705202
Energy: 1.1766143216908767
Energy: 1.5583972555130938
Energy: 1.6609878573493397
Energy: 1.1562266473110532
Energy: 1.6609878573583665
Energy: 1.1826156923226898
Energy: 1.1558892718871474
Energy: 1.1596121334286174
Energy: 1.1558892718743599
Energy: 1.143382220209472
Energy: 1.4628390559553086
Energy: 1.1573232147107793
Energy: 1.4628390559643354
Energy: 1.171148181546303
Energy: 1.2406114929449363
Energy: 1.1578458319266585
Energy: 1.2406114929652465
Energy: 1.1737436551233353
Energy: 1.2544954830227728
Energy: 1.164631877296764
Energy: 1.2544954830129937
Energy: 1.1567712358484417
Energy: 1.1769526692952432
Energy: 1.165263470264079
Energy: 1.1769526692839596
Energy: 1.1567467077381786
Energy: 1.1768560082962962
Energy: 1.1643213560458106
Energy: 1.1768560082842603
Energy: 1.1738551972417968
Energy: 1.2546062026940077
Energy: 1.1655026067613128
Energy: 1.2546062026970164
Energy: 1.1712176207654268
Energy: 1.240152025560754
Energy: 1.1578766425317897
Energy: 1.240152025556241
Energy: 1.1435766885402987
Energy: 1.4628268497945385
Energy: 1.1573079239465696
Energy: 1.4628268498125918
Energy: 1.182586720370993
Energy: 1.1560867119431135
Energy: 1.1535902185498617
Energy: 1.156086711934087
Energy: 1.5581852067225186
Energy: 1.6609744300683114
Energy: 1.1597536398688562
Energy: 1.6609744300765856
Energy: 1.2164122294535542
Energy: 1.1766655535266555
Energy: 1.1775610747738432
Energy: 1.1766655535311692
Energy: 1.5356994899946288
Energy: 1.6204432410188245
Energy: 1.157640653097467
Energy: 1.6204432410052847
Energy: 1.182615743609038
Energy: 1.2771122773143402
Energy: 1.1400009433534972
Energy: 1.2771122773211103
Energy: 1.366728950703863
Energy: 1.6204794528744986
Energy: 1.1501350539454018
Energy: 1.6204794528812685
Energy: 1.1830753573380963
Energy: 1.4380218144232297
Energy: 1.552209499712751
Energy: 1.438021814420973
Energy: 1.1397799482831166
Energy: 1.6529224460560001
Energy: 1.175367068755911
Energy: 1.6529224460409555
Energy: 1.1833244701192487
Energy: 1.699555263273012
Energy: 1.4083163375760708
Energy: 1.6995552632745163
Energy: 1.1418712405639557
Energy: 1.4228062555838334
Energy: 1.1753131821812333
Energy: 1.4228062555830812
Energy: 1.1832947207750464
Energy: 1.609339069900973
Energy: 1.214530347267548
Energy: 1.6093390698979642
Energy: 1.1589702519216738
Energy: 1.3750545912915935
Energy: 1.1501419053065458
Energy: 1.3750545913036292

minimum gb energy = 1.1397799482831166 eV
minimum distance =  2.16657382066583 Angstroms
sigma value = 37


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

Energy: 1.2794553574956602
Energy: 1.2808835232349232
Energy: 1.6602087138527881
Energy: 1.280883523233629
Energy: 1.3553848765182164
Energy: 1.4298498844727392
Energy: 1.0718139232536983
Energy: 1.4298498844688567
Energy: 1.099241383457995
Energy: 1.4575053533637177
Energy: 1.360114245065684
Energy: 1.4575053533637177
Energy: 1.2107309517135707
Energy: 1.2670492664457544
Energy: 1.0914009717632782
Energy: 1.2670492664470487
Energy: 1.073268692443957
Energy: 1.4448340489018796
Energy: 1.2037269846146044
Energy: 1.4448340489018796
Energy: 1.065059140502236
Energy: 1.586434016497906
Energy: 1.2112282674148354
Energy: 1.586434016497906
Energy: 1.0987350344941844
Energy: 1.7611748101857876
Energy: 1.3541113016930193
Energy: 1.7611748101844935
Energy: 1.0497088167162725
Energy: 1.1072833639905988
Energy: 1.1217071534584435
Energy: 1.1072833639905988
Energy: 1.0740478665354796
Energy: 1.4282547517917796
Energy: 1.349056407696383
Energy: 1.428254751793074
Energy: 1.359264350738939
Energy: 1.459294051142489
Energy: 1.2112855227354804
Energy: 1.459294051141195
Energy: 1.0735606535031987
Energy: 1.67907306398533
Energy: 1.2104905344012584
Energy: 1.679073063986624
Energy: 1.46317424947589
Energy: 1.40861585017098
Energy: 1.0916096805658904
Energy: 1.408615850172274
Energy: 1.2321520938500294
Energy: 1.584868106589643
Energy: 1.0505449322312146
Energy: 1.5848681065909374
Energy: 1.5682456815995205
Energy: 1.7606103420947448
Energy: 1.0499027969860204
Energy: 1.7606103420934505
Energy: 1.2958137982731743
Energy: 1.3152678326152656
Energy: 1.0498180252406784
Energy: 1.3152678326152656
Energy: 1.2945133886212563
Energy: 1.4281336429107943
Energy: 1.0718621970896154
Energy: 1.4281336429107943
Energy: 1.232235610488785
Energy: 1.4603382150876227
Energy: 1.0692218708673427
Energy: 1.4603382150863287
Energy: 1.2101794452850405
Energy: 1.694582825657099
Energy: 1.073384800275393
Energy: 1.6945828256583932
Energy: 1.0733385983796035
Energy: 1.4196567967536216
Energy: 1.069009063052223
Energy: 1.4196567967523273
Energy: 1.0692036007951382
Energy: 1.5851737386700127
Energy: 1.232776526989473
Energy: 1.5851737386687184

minimum gb energy = 1.0497088167162725 eV
minimum distance =  2.1912941770188 Angstroms
sigma value = 25


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

Energy: 1.1793284586997768
Energy: 1.2680831392124314
Energy: 0.9501609881557447
Energy: 1.268083139208389
Energy: 1.400296588910729
Energy: 1.4996013585964485
Energy: 0.9810514727620147
Energy: 1.4996013585974588
Energy: 1.0964107187101997
Energy: 1.0986410510169686
Energy: 1.1574762363442683
Energy: 1.0986410510159583
Energy: 1.163697207831702
Energy: 1.3713745960244441
Energy: 0.983562160024839
Energy: 1.371374596022423
Energy: 0.9913335627234304
Energy: 1.5009403232092913
Energy: 1.0481386418454068
Energy: 1.500940323210302
Energy: 1.0607522559214804
Energy: 1.5112885988223748
Energy: 1.0010113467027193
Energy: 1.5112885988213642
Energy: 0.9821656898594537
Energy: 1.208696910017988
Energy: 1.165130958182779
Energy: 1.208696910017988
Energy: 0.9460151933830129
Energy: 1.3834896564600592
Energy: 1.106273880718612
Energy: 1.3834896564620807
Energy: 0.9707381861599147
Energy: 1.4699633409302346
Energy: 1.4211495258276263
Energy: 1.4699633409332662
Energy: 0.938123347073245
Energy: 1.507210073144493
Energy: 1.0487932081206137
Energy: 1.5072100731485356
Energy: 0.9823647070002324
Energy: 0.9657821377345776
Energy: 1.4485873413201609
Energy: 0.9657821377335669
Energy: 1.157917404886568
Energy: 1.5375275785160363
Energy: 1.1062747381985072
Energy: 1.5375275785170468
Energy: 0.9857288754627477
Energy: 1.3998443730690637
Energy: 1.3178685145602507
Energy: 1.3998443730710848
Energy: 1.2406709852252804
Energy: 1.5011613739399947
Energy: 1.0009990283286714
Energy: 1.501161373941005
Energy: 1.0035255779766155
Energy: 1.088434235299354
Energy: 1.0606690001543158
Energy: 1.088434235294301
Energy: 1.1672970602644
Energy: 1.3399090015885993
Energy: 0.9701640041585078
Energy: 1.3399090015875887
Energy: 1.1127612348709242
Energy: 1.3821000981023086
Energy: 0.939684256200009
Energy: 1.3821000981053406
Energy: 1.369324542129273
Energy: 1.4905152906177845
Energy: 0.9727307579527951
Energy: 1.4905152906157633
Energy: 1.182752319554841
Energy: 1.2967644514254753
Energy: 0.9379778094600753
Energy: 1.2967644514224437
Energy: 1.613346382547432
Energy: 1.3388360385142914
Energy: 0.9702424936345703
Energy: 1.3388360385142914
Energy: 1.1127789775725263
Energy: 1.5368300240886603
Energy: 0.9499630854183471
Energy: 1.5368300240856287
Energy: 1.0958219787799968
Energy: 1.4012105174961478
Energy: 0.9866164199763391
Energy: 1.4012105174941265
Energy: 1.0033757098231035
Energy: 1.2074852181360327
Energy: 1.2405627696263373
Energy: 1.2074852181380535
Energy: 1.060815747731981
Energy: 1.343029813151865
Energy: 1.0012816654326977
Energy: 1.3430298131508542
Energy: 0.9805695905192556
Energy: 1.5588585516007891
Energy: 1.3767888827249815
Energy: 1.5588585515977573
Energy: 0.9479507861733231
Energy: 1.423046999788289
Energy: 1.1101877659356452
Energy: 1.4230469997913209

minimum gb energy = 0.9379778094600753 eV
minimum distance =  2.15998696308389 Angstroms
sigma value = 41


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

Energy: 1.2854387578973818
Energy: 1.290647902202731
Energy: 0.864385407644735
Energy: 1.290647902202731
Energy: 1.3421379783248129
Energy: 1.30888553216764
Energy: 0.8783315148437919
Energy: 1.30888553216764
Energy: 0.9149271365063667
Energy: 1.321615046367325
Energy: 1.0908547428782451
Energy: 1.3216150463681535
Energy: 1.140730419578807
Energy: 1.309696440260115
Energy: 0.8780531913782721
Energy: 1.3096964402592863
Energy: 0.8676718869665719
Energy: 1.3103553978298048
Energy: 0.8552136562576469
Energy: 1.3103553978289761
Energy: 0.9289006162215582
Energy: 1.3084624546943084
Energy: 0.877227379663632
Energy: 1.3084624546951371
Energy: 0.871753372187195
Energy: 1.3080179934342409
Energy: 0.9298400898651847
Energy: 1.3080179934342409
Energy: 0.8505278777401616
Energy: 1.099979860337288
Energy: 0.8690255262469126
Energy: 1.0999798603339737
Energy: 0.88252491487646
Energy: 1.3922694606368158
Energy: 1.1357021951337398
Energy: 1.392269460635987
Energy: 0.8480396316111479
Energy: 1.3230588088019788
Energy: 0.9153537650994917
Energy: 1.3230588088003217
Energy: 0.8716753510723243
Energy: 1.3084835352474657
Energy: 1.3489134726744545
Energy: 1.3084835352491226
Energy: 0.8537047884938257
Energy: 1.2908432128213347
Energy: 1.2866283381166588
Energy: 1.2908432128213347
Energy: 0.8822529454890103
Energy: 1.1001641644399747
Energy: 1.4484291572911354
Energy: 1.1001641644391462
Energy: 1.0204410521599068
Energy: 1.2274468407142436
Energy: 0.9155576066679284
Energy: 1.2274468407159005
Energy: 0.8719032384192993
Energy: 1.3100411077633278
Energy: 1.2647315146454343
Energy: 1.3100411077608423
Energy: 1.094735169930135
Energy: 1.332092531233659
Energy: 0.8690640094231914
Energy: 1.3320925312353158
Energy: 0.8823759752672699
Energy: 1.1000030872698565
Energy: 1.0555841316366548
Energy: 1.1000030872706854
Energy: 0.932227768864477
Energy: 1.2256234594308104
Energy: 0.8769446533931289
Energy: 1.2256234594291533
Energy: 0.871596918701013
Energy: 1.0998705283590384
Energy: 0.8512370466377438
Energy: 1.0998705283582098
Energy: 0.9609183057728424
Energy: 1.3875001263593965
Energy: 0.8862558401597667
Energy: 1.3875001263610534
Energy: 0.9138681505013688
Energy: 1.4096240093218755
Energy: 0.8492842035487715
Energy: 1.4096240093218755
Energy: 1.3473053437846036
Energy: 1.4902029694471204
Energy: 0.8731203115843674
Energy: 1.4902029694487775
Energy: 1.2993703636307308
Energy: 1.0989029026872978
Energy: 0.8536756039010036
Energy: 1.0989029026831552
Energy: 1.2971672217909032
Energy: 1.1002134950409728
Energy: 0.8860268345956845
Energy: 1.1002134950409728
Energy: 0.9140696715302468
Energy: 1.2255473310965588
Energy: 0.8549371606428265
Energy: 1.2255473310965588
Energy: 1.265007512041916
Energy: 1.4864509140786808
Energy: 0.8733695735935412
Energy: 1.4864509140795095
Energy: 0.8716585299586105
Energy: 1.3294272421085926
Energy: 1.0962101448753798
Energy: 1.3294272421085926
Energy: 0.8696305201682941
Energy: 1.100648746855602
Energy: 0.8869010851979262
Energy: 1.1006487468580877
Energy: 0.8823995157363983
Energy: 1.225241439268795
Energy: 1.0959729686459028
Energy: 1.2252414392696231
Energy: 0.8518976510813776
Energy: 1.4334898091452424
Energy: 0.8744186770039495
Energy: 1.4334898091460708
Energy: 0.8741037436846726
Energy: 1.3904837328714035
Energy: 1.1136264329512597
Energy: 1.3904837328714035
Energy: 0.8530690309881078
Energy: 1.1360492795519466
Energy: 0.9185291965948786
Energy: 1.136049279554432

minimum gb energy = 0.8480396316111479 eV
minimum distance =  2.14726020182614 Angstroms
sigma value = 15


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

Energy: 1.1702798820267988
Energy: 1.3117186682989983
Energy: 1.4555075667386415
Energy: 1.311718668300402
Energy: 1.3688137556399746
Energy: 1.2336130189116572
Energy: 0.8248377954486512
Energy: 1.233613018913061
Energy: 0.8609615817866918
Energy: 1.1480623081024217
Energy: 1.3320393394171361
Energy: 1.1480623081031234
Energy: 1.1943749995573516
Energy: 1.259226839375895
Energy: 0.8249117466418042
Energy: 1.2592268393772985
Energy: 0.8185186609242646
Energy: 1.1058434686351621
Energy: 0.7920219761494838
Energy: 1.10584346863446
Energy: 1.0212746776999502
Energy: 1.2334588361421737
Energy: 0.8250582692580288
Energy: 1.2334588361449814
Energy: 0.8274006686446641
Energy: 1.1622064040969822
Energy: 0.8484985336246618
Energy: 1.1622064040969822
Energy: 0.8483317378356872
Energy: 0.9999925224163595
Energy: 0.8276967632029173
Energy: 0.999992522418465
Energy: 0.8270810745693739
Energy: 1.3331033523668523
Energy: 1.021439398437483
Energy: 1.333103352368958
Energy: 0.7864059681884488
Energy: 1.2562679604336564
Energy: 0.821706124767162
Energy: 1.2562679604336564
Energy: 0.8238999785828154
Energy: 1.2370825694222298
Energy: 1.194770775034799
Energy: 1.237082569426441
Energy: 0.7878580772658392
Energy: 0.9830314211115754
Energy: 0.8615600221500515
Energy: 0.9830314211122771
Energy: 0.8261140506795809
Energy: 1.3250384898281677
Energy: 1.3675881035306874
Energy: 1.3250384898281677
Energy: 0.7862406706941749
Energy: 1.3127982474336117
Energy: 1.1711685293248495
Energy: 1.3127982474336117
Energy: 0.8240214211448839
Energy: 1.2329497963269935
Energy: 1.3706026309571449
Energy: 1.2329497963262916
Energy: 0.930042167825887
Energy: 0.9833837205033025
Energy: 0.8616100458617123
Energy: 0.983383720500495
Energy: 0.8264057222287121
Energy: 1.3280595590182716
Energy: 1.3232644542881045
Energy: 1.3280595590182716
Energy: 0.9913673040832647
Energy: 1.1062929303075044
Energy: 0.8217469580204663
Energy: 1.106292930304697
Energy: 0.8244551433313688
Energy: 1.232599630639321
Energy: 1.1307978107636942
Energy: 1.232599630638619
Energy: 0.9976962805633799
Energy: 1.1840980273172708
Energy: 0.8276768471930479
Energy: 1.1840980273172708
Energy: 0.8259794802659866
Energy: 1.2614146132460422
Energy: 0.9575363355977357
Energy: 1.2614146132432347
Energy: 1.0065859364275562
Energy: 1.3356835383738612
Energy: 0.8340341047457063
Energy: 1.3356835383738612
Energy: 0.8241003963431853
Energy: 1.2554374533630064
Energy: 0.7862183510618516
Energy: 1.2554374533623045
Energy: 1.1969542110872227
Energy: 1.2383072326725946
Energy: 0.8237854811368721
Energy: 1.2383072326732965
Energy: 0.8638997445702221
Energy: 1.2864465534340221
Energy: 0.7869717446850852
Energy: 1.2864465534340221
Energy: 1.2226951704260236
Energy: 1.326833788827114
Energy: 0.8337034807331329
Energy: 1.3268337888243067
Energy: 1.1800845968047828
Energy: 1.32044808008761
Energy: 0.7858480756023937
Energy: 1.320448080090418
Energy: 1.526184310218104
Energy: 1.233153032260359
Energy: 0.8234712163707949
Energy: 1.2331530322624646
Energy: 0.8638917070157459
Energy: 1.1401161518160299
Energy: 0.7896529842241984
Energy: 1.1401161518202412
Energy: 1.1457937617377625
Energy: 1.3251012298454965
Energy: 0.8339586936525398
Energy: 1.325101229842689
Energy: 0.8243459596314237
Energy: 1.105948141678187
Energy: 0.9943458847500988
Energy: 1.1059481416767833
Energy: 1.1309317384190913
Energy: 1.254759273503955
Energy: 0.8219326476379503
Energy: 1.2547592735032533
Energy: 0.82631402018956
Energy: 1.1405820178412343
Energy: 0.9946471138256308
Energy: 1.1405820178412343
Energy: 0.7963866163044477
Energy: 1.262616700458305
Energy: 0.830392035924755
Energy: 1.262616700458305
Energy: 0.8033176517637741
Energy: 1.1057561228087176
Energy: 1.00284113225286
Energy: 1.1057561228094197
Energy: 0.7856159802752237
Energy: 1.2549653440211284
Energy: 0.8271735061502705
Energy: 1.254965344023234
Energy: 0.823625402127415
Energy: 1.1403801162332856
Energy: 1.3514386715208855
Energy: 1.1403801162304783

minimum gb energy = 0.7856159802752237 eV
minimum distance =  2.21982684404823 Angstroms
sigma value = 85


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

Energy: 1.1169299784703663
Energy: 1.226153823030784
Energy: 0.7148829661046538
Energy: 1.2261538230313926
Energy: 1.4013566085143618
Energy: 1.149966169470369
Energy: 0.7621520798972939
Energy: 1.1499661694697603
Energy: 1.066936028891836
Energy: 1.0637552574740905
Energy: 0.8318093966638116
Energy: 1.0637552574734819
Energy: 1.2585425456502874
Energy: 1.1498742987970396
Energy: 0.7621950991345116
Energy: 1.1498742987964312
Energy: 0.8059372732851231
Energy: 1.0547995043365381
Energy: 0.8202621126153617
Energy: 1.0547995043365381
Energy: 1.1182996112940862
Energy: 1.1527413479285407
Energy: 0.7627584563489148
Energy: 1.1527413479285407
Energy: 0.7592353086750124
Energy: 1.0871885649306223
Energy: 0.8195887538972139
Energy: 1.0871885649306223
Energy: 0.9687551919610494
Energy: 1.1496684156821038
Energy: 0.7621981069767247
Energy: 1.1496684156827124
Energy: 0.7613722791144439
Energy: 1.0712430433806817
Energy: 0.9684604767615769
Energy: 1.0712430433800728
Energy: 0.8197614210932813
Energy: 1.0871452846008918
Energy: 0.7598710488698798
Energy: 1.0871452846015004
Energy: 0.7639964048565235
Energy: 1.18106423918848
Energy: 1.1176864981227266
Energy: 1.18106423918848
Energy: 0.7081554511611209
Energy: 1.169942479775925
Energy: 0.810328734310919
Energy: 1.1699424797765337
Energy: 0.7615248390518649
Energy: 1.0442089777757788
Energy: 1.257825614167925
Energy: 1.0442089777745616
Energy: 0.706682177676353
Energy: 1.0641263163426962
Energy: 1.067645781581444
Energy: 1.0641263163433048
Energy: 0.763997003311845
Energy: 1.1489610761007119
Energy: 1.4093830124150775
Energy: 1.1489610761007119
Energy: 0.7096515273001439
Energy: 1.2447822674361495
Energy: 1.1180900714637765
Energy: 1.2447822674361495
Energy: 0.7615305980057891
Energy: 1.044482714025741
Energy: 1.4685426468507037
Energy: 1.044482714025741
Energy: 0.8302362081956557
Energy: 1.0641119443367093
Energy: 1.067672615292126
Energy: 1.0641119443367093
Energy: 0.7643016389755645
Energy: 1.1491374463842152
Energy: 1.3046909526859078
Energy: 1.1491374463848236
Energy: 0.8886507730718537
Energy: 1.2628464476499368
Energy: 0.8104201218293806
Energy: 1.262846447649328
Energy: 0.761212256501868
Energy: 1.07158162375705
Energy: 1.155499906221978
Energy: 1.0715816237576588
Energy: 0.8900424465942278
Energy: 1.0936073908903952
Energy: 0.7599485102849937
Energy: 1.0936073908897868
Energy: 0.7640301569324559
Energy: 1.1488946921006067
Energy: 1.0066038095662708
Energy: 1.1488946921006067
Energy: 0.904172565756364
Energy: 1.2762577810398097
Energy: 0.7622576520950769
Energy: 1.2762577810404185
Energy: 0.7614570865656093
Energy: 0.9346229414793582
Energy: 0.856556415097256
Energy: 0.9346229414793582
Energy: 1.1872144018801152
Energy: 1.1815780419423292
Energy: 0.765765416200924
Energy: 1.1815780419429376
Energy: 0.8135554169253923
Energy: 1.1690908797297817
Energy: 0.7080550545918636
Energy: 1.1690908797297817
Energy: 1.2072573283537182
Energy: 1.2769845594189622
Energy: 0.7619180434185672
Energy: 1.2769845594189622
Energy: 1.0703447650874276
Energy: 1.0644283715636216
Energy: 0.7091881591445977
Energy: 1.0644283715636216
Energy: 1.4069464070853357
Energy: 1.1486828492465608
Energy: 0.7660770178545538
Energy: 1.1486828492471695
Energy: 1.1192537519302308
Energy: 1.2539136246805969
Energy: 0.709149536495865
Energy: 1.253913624681206
Energy: 1.3335544942276056
Energy: 1.2656454106885335
Energy: 0.7620069141541905
Energy: 1.2656454106885335
Energy: 1.0703499818635467
Energy: 1.0644276433849618
Energy: 0.7123088967685636
Energy: 1.0644276433843534
Energy: 1.30510010444677
Energy: 1.1486942936873095
Energy: 0.7660964904777048
Energy: 1.148694293687918
Energy: 0.8136133977331319
Energy: 1.2902249299171609
Energy: 0.8895903781286845
Energy: 1.2902249299171609
Energy: 1.0329329595836427
Energy: 1.2633887873965284
Energy: 0.7617680089174496
Energy: 1.2633887873971372
Energy: 0.7614608524179485
Energy: 1.093814487113164
Energy: 0.8891148076959171
Energy: 1.093814487113164
Energy: 1.0065136479971324
Energy: 1.1485984355525407
Energy: 0.7664327362284661
Energy: 1.1485984355525407
Energy: 0.7641370170492168
Energy: 1.2909790940928831
Energy: 0.9071275539745409
Energy: 1.2909790940941006
Energy: 0.7262745216172282
Energy: 1.2250935391519493
Energy: 0.7634740576792047
Energy: 1.2250935391507318
Energy: 0.7612983304962836
Energy: 1.1821250628414164
Energy: 1.1868342884960998
Energy: 1.1821250628414164
Energy: 0.707776620151202
Energy: 1.1694070686187064
Energy: 0.816880904389867
Energy: 1.1694070686187064
Energy: 0.7632162073027957
Energy: 1.2640967030771013
Energy: 1.2135157443577222
Energy: 1.2640967030771013

minimum gb energy = 0.706682177676353 eV
minimum distance =  2.22448729379472 Angstroms
sigma value = 113


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

Energy: 0.020555037666182052
Energy: 0.0238396032685913
Energy: 2.188886093432901
Energy: 0.02383960326900726
Energy: 1.1065108208475787
Energy: 0.45944849822799005
Energy: 0.45945831545254673
Energy: 0.45944849822799005
Energy: 0.020555037666182052
Energy: 0.0238396032685913
Energy: 2.188886093435189
Energy: 0.0238396032685913
Energy: 1.106510820845759
Energy: 0.45944849822799005
Energy: 0.45945831545161087
Energy: 0.45944849822799005
Energy: 0.020555037666182052
Energy: 0.0238396032685913
Energy: 1.1068809012701641
Energy: 0.02383960326812334
Energy: 1.1065108208475787
Energy: 0.45944849822840605
Energy: 0.45945831545161087
Energy: 0.45944849822752215

minimum gb energy = 0.020555037666182052 eV
minimum distance =  2.48205927079649 Angstroms
sigma value = 1