Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiRh__SM_306597220004_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.523999765515327
cohesive_energy=4.440349234879022
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.5730476089049795e-19, 3.32917884955494e-19, 3.88902743077356e-19, 4.341241785720059e-19, 4.72172669276238e-19, 5.049323749116359e-19, 5.33528023475268e-19, 5.58707831455212e-19, 5.809925062575179e-19, 6.00764968097712e-19, 6.18321619653084e-19, 6.33891572182296e-19, 6.4766228035152595e-19, 6.597859509410039e-19, 6.703907580814499e-19, 6.79582445430708e-19, 6.874587457634519e-19, 6.9409496138148e-19, 6.995647924099559e-19, 7.039307237376059e-19, 7.072456271933519e-19, 7.095607724294819e-19, 7.109210203917479e-19, 7.11366425496e-19, 7.108841703291659e-19, 7.09320445934382e-19, 7.06465367172594e-19, 7.020770053720679e-19, 6.95854151325612e-19, 6.8743791746721e-19, 6.7639090957578e-19, 6.621763984789319e-19, 6.4413909393336e-19, 6.214618858557239e-19, 5.931273920834339e-19, 5.57860280015826e-19, 5.14043953429194e-19, 4.5960840011241e-19, 3.91889200323132e-19, 3.07398415529142e-19, 2.01637133742168e-19, 6.92441515095192e-20, -9.632542271869439e-20, -3.05985295737954e-19, -6.046710747314039e-19, -1.081735189271244e-18, -1.87161467853978e-18, -3.1778372447072996e-18, -5.3153972227247394e-18, -8.580905572844519e-18, -1.353675833713332e-17, -2.1622975852464e-17, -3.51059330982276e-17, -5.922670232309759e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.022072634715325223
Energy: 0.022771120385769807
Energy: 0.5515305612107632
Energy: 1.2809707170922655
Energy: 1.2171674828023895
Energy: 0.44240987053829683
Energy: 0.02259148745328357
Energy: 0.023242160593564595
Energy: 1.185098189932897
Energy: 0.34498311675960014
Energy: 0.5513458508540205
Energy: 0.8423803755654418
Energy: 0.023077270507618215
Energy: 0.15328567694369738
Energy: 0.022604971305945135
Energy: 0.9747907943153851
Energy: 0.7770035744722321
Energy: 0.550544240978912
Energy: 0.8431944542908771
Energy: 0.15142197350951955
Energy: 0.15339187375464833
Energy: 0.025525497444034075
Energy: 0.8452638042786718
Energy: 0.5522564299585553
Energy: 1.2811066291456974
Energy: 0.43905628913176864
Energy: 0.15231338079089468
Energy: 0.0230039227400981
Energy: 0.15268454288236472
Energy: 1.211916376544396
Energy: 0.3448507848202692
Energy: 0.5507762649669795
Energy: 0.8451390499856906
Energy: 0.022795396718707225
Energy: 0.1513392899738359
Energy: 0.02251109299067217
Energy: 0.97652681826854
Energy: 0.5531614416833942
Energy: 0.5499745823439252
Energy: 1.0543536022192626
Energy: 0.1510823466407054
Energy: 0.1535312287481452

minimum gb energy = 0.022072634715325223 eV
minimum distance =  2.46955290183404 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.4907945566616505
Energy: 1.3982752063498949
Energy: 1.5153473017722987
Energy: 1.5971015463703906
Energy: 1.429700037625174
Energy: 1.4469447786876917
Energy: 1.7229582154008567
Energy: 1.328805263188113
Energy: 1.4965955912101123
Energy: 1.3224774480889265
Energy: 1.4430349782286962
Energy: 1.3391967726827194
Energy: 1.3244628107013128
Energy: 1.4798519260121206
Energy: 1.3130383788154358
Energy: 1.482244553141029
Energy: 1.4871939032824766
Energy: 1.4460771870434042
Energy: 1.4729728844489416
Energy: 1.484680934943354
Energy: 1.410954588838538
Energy: 1.3125864470498072
Energy: 1.3906043704711104
Energy: 1.3370162306995257
Energy: 1.4506308522151246
Energy: 1.4361980145613695
Energy: 1.336907705176541
Energy: 1.4660235388588696
Energy: 1.5162140164786628
Energy: 1.3568865146097022
Energy: 1.4057752320114134
Energy: 1.3817135137034988
Energy: 1.4382630726864625
Energy: 1.3715173972880865
Energy: 1.4102046147209868
Energy: 1.4391452066767667
Energy: 1.4189912860688825
Energy: 1.3977550869261364
Energy: 1.3198122988417402
Energy: 1.360025753943127
Energy: 1.4534244142824015
Energy: 1.40734554966182
Energy: 1.392382412506976
Energy: 1.3372180188361702
Energy: 1.474041707855876
Energy: 1.4274387098909285
Energy: 1.377749965224202
Energy: 1.475115652957483
Energy: 1.4723257927870343
Energy: 1.364029233426014
Energy: 1.410834255495983
Energy: 1.4168238199927727
Energy: 1.4306477545576521
Energy: 1.3200692934666085
Energy: 1.4890842742507777
Energy: 1.4715541164160573
Energy: 1.3475417716118612
Energy: 1.3993359990913525
Energy: 1.458774891377175
Energy: 1.382192552567328
Energy: 1.4754797908698476
Energy: 1.3349517503845338
Energy: 1.3860433464892161
Energy: 1.3321767613463944
Energy: 1.3995787552887207
Energy: 1.4436742283211896
Energy: 1.446467172028411
Energy: 1.4471582069594844
Energy: 1.4711395769623845
Energy: 1.405400387431606
Energy: 1.3590459421523253
Energy: 1.4901263657195019
Energy: 1.3794773453181937
Energy: 1.3706255212329919
Energy: 1.4355809526594
Energy: 1.3635199335079287
Energy: 1.3899948425702504
Energy: 1.3254796557446407
Energy: 1.4258704774762685
Energy: 1.3894051068960882
Energy: 1.381876275928086
Energy: 1.3936026371027221
Energy: 1.3345575543205503
Energy: 1.372547634308968
Energy: 1.335137311662376
Energy: 1.4780902946460823
Energy: 1.3691459407803823
Energy: 1.3115496691763
Energy: 1.5225645332059645
Energy: 1.3194659720055033
Energy: 1.4287772639586778
Energy: 1.4476540373178666
Energy: 1.4226616960759249
Energy: 1.3757246322679413
Energy: 1.4839016443566349
Energy: 1.48998640931741
Energy: 1.484645793318387
Energy: 1.3819650327812334
Energy: 1.319074911700371
Energy: 1.4031189299843965
Energy: 1.3223497330700842
Energy: 1.3819809098852973
Energy: 1.548201195293419
Energy: 1.3944791999615354
Energy: 1.4024554293797933
Energy: 1.3316688876557259
Energy: 1.474376798819105
Energy: 1.5028486736073003
Energy: 1.4543813025599837
Energy: 1.4398623212333974
Energy: 1.3660747275395975
Energy: 1.342436296831148
Energy: 1.3971247246788525
Energy: 1.4005686917551603
Energy: 1.4075547532659423
Energy: 1.4566228747334307
Energy: 1.425066276336705
Energy: 1.4482220650669613
Energy: 1.5118567808767087
Energy: 1.4711607915690794
Energy: 1.3926037788645185
Energy: 1.4158131042510633
Energy: 1.3714832518206226
Energy: 1.4307179866609854
Energy: 1.5579771664302278
Energy: 1.4616661908196262
Energy: 1.3496760138205053
Energy: 1.5099793209996921
Energy: 1.3309770001354648
Energy: 1.3663059291977584
Energy: 1.3871894309173392
Energy: 1.3333217545535707
Energy: 1.4013637503698653
Energy: 1.506721798568839
Energy: 1.3579582619729031
Energy: 1.4533416152416945
Energy: 1.422990307043502
Energy: 1.4387888253371504
Energy: 1.3790041609780088
Energy: 1.4168862791434085
Energy: 1.3006141449440236
Energy: 1.4530189368568154
Energy: 1.3416929567414213
Energy: 1.4429993241642487
Energy: 1.466670313876957
Energy: 1.3247117148273566
Energy: 1.4680633354446455
Energy: 1.5621747948249667
Energy: 1.3912897987840318
Energy: 1.4825187101407695
Energy: 1.4327252198931886
Energy: 1.4805896603840132
Energy: 1.3785394814755167
Energy: 1.4157977061414535
Energy: 1.3529016505051399
Energy: 1.4057218032794114
Energy: 1.3132566896225568
Energy: 1.3474686414587624
Energy: 1.414255416540927
Energy: 1.3101960736010474
Energy: 1.4767727623682465
Energy: 1.4564242551808462
Energy: 1.405783172179354
Energy: 1.549598031689101
Energy: 1.5474469352275755
Energy: 1.362046039865572
Energy: 1.4294687850913153
Energy: 1.405196030682557
Energy: 1.3298721413177415
Energy: 1.408572524242781
Energy: 1.336096730038423
Energy: 1.395512414408414
Energy: 1.3353167836115172
Energy: 1.3455428677340928
Energy: 1.4217876357564438
Energy: 1.456908740622857
Energy: 1.4524879634174135
Energy: 1.4845148066944904
Energy: 1.3254292423948508
Energy: 1.4039197143823487
Energy: 1.4748754641839756
Energy: 1.4111493747451698
Energy: 1.3415384531040655
Energy: 1.5605333684412515
Energy: 1.3367285896407115
Energy: 1.4500940239721625
Energy: 1.4198901788853724
Energy: 1.3386702531424874
Energy: 1.5187012129739663
Energy: 1.3738398280247583
Energy: 1.3579324582455097
Energy: 1.4058781385005295
Energy: 1.38188307052487
Energy: 1.3736313581825816
Energy: 1.4252277336695307
Energy: 1.4041715405278985
Energy: 1.4483374022212006
Energy: 1.4276316033117609
Energy: 1.4065981824534335
Energy: 1.3196468588957222
Energy: 1.401294259302304
Energy: 1.3407698115454108
Energy: 1.4090113278002414
Energy: 1.3785136344460063
Energy: 1.3384071462164102
Energy: 1.444519445473189
Energy: 1.3769899515051627
Energy: 1.4498135411450674
Energy: 1.395690220397444
Energy: 1.4287594024687742
Energy: 1.4402890113546092
Energy: 1.3802073733405043
Energy: 1.4322400914085118
Energy: 1.465500425196621
Energy: 1.3894836302523286
Energy: 1.439497228363968
Energy: 1.4652626617721076
Energy: 1.353063483190438
Energy: 1.4235280059273103
Energy: 1.3606384884601082
Energy: 1.3921576628279182
Energy: 1.3652035804883833
Energy: 1.338049754901421
Energy: 1.4261205964622634
Energy: 1.4727967073547032
Energy: 1.3951490466686172
Energy: 1.4466950912881174
Energy: 1.445263247800357
Energy: 1.4378956969189167
Energy: 1.420596186514984
Energy: 1.4048577355225484
Energy: 1.3540521301353678
Energy: 1.475368080827336
Energy: 1.3103911857005826
Energy: 1.4521512030777923
Energy: 1.4433624588364202
Energy: 1.3924655509219601
Energy: 1.4076061438367669
Energy: 1.5646401932181384
Energy: 1.3769109449197428
Energy: 1.4994668279677086
Energy: 1.4293725837310423
Energy: 1.349283112601871
Energy: 1.458990931222534
Energy: 1.4144463182776312
Energy: 1.4130315514632845
Energy: 1.3891306432937907
Energy: 1.3815712543514318
Energy: 1.3408447761832576
Energy: 1.5369682964101496
Energy: 1.3856796858154397
Energy: 1.3727354963006788
Energy: 1.4502431234490536
Energy: 1.3113378097377701
Energy: 1.492209045525724
Energy: 1.4703875793380539
Energy: 1.4318341765481242
Energy: 1.3790757400889593
Energy: 1.5194045817457615
Energy: 1.4128255457140952
Energy: 1.3989262365521293
Energy: 1.3456841702869073
Energy: 1.4265839052859826
Energy: 1.4677821134665712
Energy: 1.3979174232281022
Energy: 1.3856309275074725
Energy: 1.5903751154743149
Energy: 1.4687016740616228
Energy: 1.495896598924059
Energy: 1.4360639004569955
Energy: 1.4003163274360375
Energy: 1.4349888627394285
Energy: 1.3435720103571072
Energy: 1.3958427103817164
Energy: 1.3398150300854015
Energy: 1.415531305577459
Energy: 1.3769718885295805
Energy: 1.4262322558175797
Energy: 1.4468483985059493
Energy: 1.4465477527833979
Energy: 1.4324925409446394
Energy: 1.3996245701117582
Energy: 1.4199813952832145
Energy: 1.3544449397837386
Energy: 1.3985837979184654
Energy: 1.5632162383472061
Energy: 1.444691017372445
Energy: 1.372124662049781
Energy: 1.4295529587319549
Energy: 1.3268780454840057
Energy: 1.3030471002876345
Energy: 1.3892525075559394
Energy: 1.3399652663655888
Energy: 1.422187535587959
Energy: 1.495544049130355
Energy: 1.4326467005251162
Energy: 1.4594427114529336
Energy: 1.413573323944967
Energy: 1.3993859994742297
Energy: 1.486685383825364
Energy: 1.415662624275003
Energy: 1.3035804290139117
Energy: 1.394594843387501
Energy: 1.3175156373689005
Energy: 1.4037742121335768
Energy: 1.475334959614627
Energy: 1.372605968748721
Energy: 1.3306506614809457
Energy: 1.5707614957626073
Energy: 1.3913275443040527
Energy: 1.430275014752086
Energy: 1.374162122537442
Energy: 1.436408010154797
Energy: 1.3601163011978574
Energy: 1.4169984766296935
Energy: 1.3532709348117582
Energy: 1.4065164601034028
Energy: 1.3199020068766905
Energy: 1.319547661806261
Energy: 1.4007416570258993
Energy: 1.363447837401773
Energy: 1.4137121507722918
Energy: 1.4533287129369974
Energy: 1.362077215101566
Energy: 1.4835237923732338
Energy: 1.3775530525401374
Energy: 1.3515164703565195
Energy: 1.430772178074258
Energy: 1.4091551366134574

minimum gb energy = 1.3006141449440236 eV
minimum distance =  2.22754408567191 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.466191476759382
Energy: 1.4058191663870527
Energy: 1.425887933552947
Energy: 1.3462915151154575
Energy: 1.3648357491554184
Energy: 1.388613851547199
Energy: 1.4614942668105773
Energy: 1.3538046134829755
Energy: 1.380662647247409
Energy: 1.3256648374429303
Energy: 1.3323131180506949
Energy: 1.357836164271989
Energy: 1.3678214789452348
Energy: 1.3624329924267418
Energy: 1.3390939710427014
Energy: 1.4468703279637527
Energy: 1.4036215026812398
Energy: 1.3695293653104204
Energy: 1.4316615841249136
Energy: 1.513340126496813
Energy: 1.4431237085796513
Energy: 1.334088516912378
Energy: 1.3404422886234164
Energy: 1.3333763107996857
Energy: 1.3338664270011196
Energy: 1.4195750692080105
Energy: 1.3455237573176448
Energy: 1.4062833133514987
Energy: 1.536873955035164
Energy: 1.4296614808890595
Energy: 1.3436101935515752
Energy: 1.4282914325215104
Energy: 1.3520450087296707
Energy: 1.344909260796771
Energy: 1.4446659501058023
Energy: 1.5090227119069222
Energy: 1.4068076984545317
Energy: 1.3552681926925148
Energy: 1.3988806983195152
Energy: 1.3493457685584769
Energy: 1.3413104301961483
Energy: 1.3554966387123253
Energy: 1.5775494227483988
Energy: 1.4902402691463459
Energy: 1.3782325804207058
Energy: 1.3995966910759465
Energy: 1.340501945533217
Energy: 1.5170842746348376
Energy: 1.4528074759302645
Energy: 1.3857093237212288
Energy: 1.4189531548249494
Energy: 1.3950373365472741
Energy: 1.3696807850970487
Energy: 1.3551926123341378
Energy: 1.4324376100939362
Energy: 1.4014084859603424
Energy: 1.346457731911417
Energy: 1.3936975927681032
Energy: 1.3952964642443169
Energy: 1.4035430057248157
Energy: 1.354652513120388
Energy: 1.3869866236631054
Energy: 1.402981038508391
Energy: 1.3515756329163915
Energy: 1.3620633630282064
Energy: 1.3943359112886036
Energy: 1.3505269664764745
Energy: 1.3393221158615127
Energy: 1.3740850723009872
Energy: 1.361425191893539
Energy: 1.367026025133161
Energy: 1.415679159922402
Energy: 1.405312724799022
Energy: 1.4525477951629981
Energy: 1.3778354299217541
Energy: 1.3832223218802437
Energy: 1.364152580445876
Energy: 1.346918636491973
Energy: 1.3680617171817717
Energy: 1.3930903639286198
Energy: 1.3435756183343524
Energy: 1.3542002501000252
Energy: 1.408185439117145
Energy: 1.3551089956263478
Energy: 1.4096620930715793
Energy: 1.4844505496067117
Energy: 1.3849518726454546
Energy: 1.3653252348134288
Energy: 1.3421492185249486
Energy: 1.4776902247493329
Energy: 1.3921514560272013
Energy: 1.3323746962217433
Energy: 1.3624171892039405
Energy: 1.373669034477777
Energy: 1.3595079405572847
Energy: 1.4148129635168485
Energy: 1.3397341359206854
Energy: 1.4730598608126644
Energy: 1.4990152058117838
Energy: 1.4176137282005403
Energy: 1.3793647262025073
Energy: 1.4009987128749881
Energy: 1.3545782408742588
Energy: 1.3400807574877256
Energy: 1.4384829311954832
Energy: 1.4874519443048746
Energy: 1.389436782666094
Energy: 1.3540616928494718
Energy: 1.3773938163887098
Energy: 1.3836189471153242
Energy: 1.3380205195690078
Energy: 1.4114137402829117
Energy: 1.3459678502870858
Energy: 1.3343333955449281
Energy: 1.337505265091287
Energy: 1.3734150348295049
Energy: 1.3369914785759889
Energy: 1.3448036662842187
Energy: 1.4026135773754795
Energy: 1.3594027422859394
Energy: 1.4726983806831095
Energy: 1.4187970343042569
Energy: 1.3485722805776068
Energy: 1.349903650949793
Energy: 1.4484269702996795
Energy: 1.3655497294848418
Energy: 1.4415294185344365
Energy: 1.3594919279645374
Energy: 1.384111753349061
Energy: 1.3210594478442887
Energy: 1.3423595358986224
Energy: 1.4595627580849242
Energy: 1.3948950090477712
Energy: 1.3438734481564243
Energy: 1.3474539574876976
Energy: 1.3832818249016055
Energy: 1.4020913285443202
Energy: 1.3334361146497749
Energy: 1.326758948438682
Energy: 1.3452739846168214
Energy: 1.3397927303087906
Energy: 1.3424027230589441
Energy: 1.3986232414606048
Energy: 1.375400618002141
Energy: 1.3704304997298276
Energy: 1.3775631111937234
Energy: 1.3418736574524874
Energy: 1.3434726833562167
Energy: 1.3423960005107543
Energy: 1.376998250407381
Energy: 1.3256140979774238
Energy: 1.3343658507176632
Energy: 1.3809623188116928
Energy: 1.3429680584901078
Energy: 1.3482753253978979
Energy: 1.3479214101605652
Energy: 1.3839364269232344
Energy: 1.3758724173646235
Energy: 1.326834707900892
Energy: 1.42255376529328
Energy: 1.3407437853510467
Energy: 1.559754642093577
Energy: 1.4196364808681754
Energy: 1.5035617461955777
Energy: 1.3262875071629632
Energy: 1.3485310029305022
Energy: 1.4408091114537482
Energy: 1.3532026408732623
Energy: 1.6023545300636528
Energy: 1.4272340976853863
Energy: 1.3803304181973235
Energy: 1.3472011844481833
Energy: 1.3490250575442087
Energy: 1.3406888856837538
Energy: 1.4094866020573458
Energy: 1.591628516159258
Energy: 1.4507419334412655
Energy: 1.3663433539564684
Energy: 1.3833349282680045
Energy: 1.3470799181138104
Energy: 1.3546116734795879
Energy: 1.4363045305781736
Energy: 1.3700601396835248
Energy: 1.330827213581773
Energy: 1.3367527352564652
Energy: 1.3561162733228223
Energy: 1.343669339340924
Energy: 1.3456320089506244
Energy: 1.4115625739713884
Energy: 1.388894275457129
Energy: 1.4129816071965053
Energy: 1.337471502577752
Energy: 1.3624210057506867
Energy: 1.3444215040767262
Energy: 1.4681942186584305
Energy: 1.5038110235540714
Energy: 1.4144090685379342
Energy: 1.4055846740467275
Energy: 1.4349987521592835
Energy: 1.364369529073969
Energy: 1.3708209141462644
Energy: 1.3622896663677346
Energy: 1.3592729495069749
Energy: 1.4077666253552459
Energy: 1.4336059664237408
Energy: 1.3841880729771856
Energy: 1.3779888642571556
Energy: 1.328318097410655
Energy: 1.3594596848696892
Energy: 1.3760493734479329
Energy: 1.3704856302510364
Energy: 1.3683969819959254
Energy: 1.4419541765406723
Energy: 1.3517966333911553
Energy: 1.3344208200595715
Energy: 1.3904844901103222
Energy: 1.3409776850266417
Energy: 1.3644638659223356
Energy: 1.367927373591128
Energy: 1.4202707147601323
Energy: 1.3562103976189939
Energy: 1.33119425453174
Energy: 1.4002547391251026
Energy: 1.3640020772427468
Energy: 1.3501223181646398
Energy: 1.366921710076934
Energy: 1.3813052059950581
Energy: 1.3935136369123504
Energy: 1.3727220657418135
Energy: 1.3520646143638373
Energy: 1.3586559013942046
Energy: 1.4197397240187777
Energy: 1.4542086362785571
Energy: 1.4510300111698318
Energy: 1.341565946434596
Energy: 1.3661581078839042
Energy: 1.5183758428592589
Energy: 1.4723647117838599
Energy: 1.3494907219756358
Energy: 1.3973477471599065
Energy: 1.386621329868194
Energy: 1.3679214587695123
Energy: 1.382235711405895
Energy: 1.3416816522087613
Energy: 1.391477576805735
Energy: 1.5373172130804404
Energy: 1.466709451479451
Energy: 1.492046983474307
Energy: 1.4362906013485501
Energy: 1.3446729197763132
Energy: 1.3652353394851664
Energy: 1.3484999737475658
Energy: 1.352016886871125
Energy: 1.4105296865289476
Energy: 1.343313988185472
Energy: 1.3761501497689057
Energy: 1.3713404105132723
Energy: 1.3392055554345517
Energy: 1.512206545824029
Energy: 1.3588146234644696
Energy: 1.4124173158428908
Energy: 1.3327090743481644
Energy: 1.3727364290637023
Energy: 1.3333316474900758
Energy: 1.4636096109121812
Energy: 1.38702151080355
Energy: 1.3981366205442043
Energy: 1.3839617009532437
Energy: 1.3344321757013544
Energy: 1.3717694093431294
Energy: 1.4133425187259618
Energy: 1.4331187235638427
Energy: 1.4036953984895266
Energy: 1.3452711183273987
Energy: 1.3940030323364108
Energy: 1.3858930176994555
Energy: 1.3660278179302792
Energy: 1.5088144904385032
Energy: 1.4180076394286982
Energy: 1.3858330775984837
Energy: 1.3462099132836072
Energy: 1.3749248561064213
Energy: 1.397745450869714
Energy: 1.3316667248660443
Energy: 1.3575197891535684
Energy: 1.3687672544542402
Energy: 1.3586605954319535

minimum gb energy = 1.3210594478442887 eV
minimum distance =  2.20751937970964 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.425561852848632
Energy: 1.3522801809177856
Energy: 1.4834273283026473
Energy: 1.3653289468988417
Energy: 1.4377017328105326
Energy: 1.374942631447895
Energy: 1.3841702808669505
Energy: 1.3689723799472933
Energy: 1.3860051702546483
Energy: 1.3782765590803412
Energy: 1.407855477364068
Energy: 1.379653871401613
Energy: 1.371264094452589
Energy: 1.4581993769817587
Energy: 1.359185931208434
Energy: 1.3738334843569007
Energy: 1.440131661053327
Energy: 1.3752135382772566
Energy: 1.4041390089258046
Energy: 1.4661783113993405
Energy: 1.3864226791274665
Energy: 1.3612195604920372
Energy: 1.5395760095469757
Energy: 1.3587915020682044
Energy: 1.5554889079721272
Energy: 1.438996079097869
Energy: 1.3635038421295689
Energy: 1.4780207990103318
Energy: 1.4457954078945747
Energy: 1.4431183972000017
Energy: 1.3963347575519638
Energy: 1.3830998081547734
Energy: 1.4755836158183215
Energy: 1.3816213297500612
Energy: 1.4349655114187896
Energy: 1.3714574358444342
Energy: 1.4171508704458848
Energy: 1.3726782304461977
Energy: 1.399103397583685
Energy: 1.4203942696277068
Energy: 1.3887513991583036
Energy: 1.4301771353436257
Energy: 1.48353750707711
Energy: 1.4023068080771626
Energy: 1.4447842929348962
Energy: 1.3836501480978038
Energy: 1.3354362612937127
Energy: 1.3916500607552076
Energy: 1.4030739580020406
Energy: 1.377348597319224
Energy: 1.4575361625957306
Energy: 1.3692417952334148
Energy: 1.4595825441131252
Energy: 1.4882146957289368
Energy: 1.4427727527187548
Energy: 1.394837916624884
Energy: 1.4124558106117413
Energy: 1.3722923368512354
Energy: 1.4764649727974202
Energy: 1.4001944749966997
Energy: 1.4914148141332968
Energy: 1.35913636377898
Energy: 1.3812875860869314
Energy: 1.3798849976449687
Energy: 1.501588715496873
Energy: 1.3661886881268568
Energy: 1.511319662355955
Energy: 1.399925403633476
Energy: 1.364182141284398
Energy: 1.4173653132446946
Energy: 1.4156720045838822
Energy: 1.462532351630467
Energy: 1.4495886706141579
Energy: 1.3788081554570617
Energy: 1.4618569063446405
Energy: 1.399181287234533
Energy: 1.4095269797713665
Energy: 1.3450909622375458
Energy: 1.4849989127702115
Energy: 1.3856205883292463
Energy: 1.4004383970001866
Energy: 1.3890899486452315
Energy: 1.3783989459431047
Energy: 1.4013239316058244
Energy: 1.4358536263109483
Energy: 1.4249191112167106
Energy: 1.4465938810922807
Energy: 1.351397825939849
Energy: 1.460991381149911
Energy: 1.360614093576925
Energy: 1.389832313402831
Energy: 1.4417221752824496
Energy: 1.441081785101268
Energy: 1.3872063379116601
Energy: 1.4526932512627826
Energy: 1.5059145854107339
Energy: 1.432916180007401
Energy: 1.546979236653467
Energy: 1.431249187001694
Energy: 1.3706591973671212
Energy: 1.3826968739794916
Energy: 1.3545842421630991
Energy: 1.4190702865271307
Energy: 1.3684879053071455
Energy: 1.3702261081003604
Energy: 1.3638692086771869
Energy: 1.4689820344073738
Energy: 1.3637738040718983
Energy: 1.434994348267273
Energy: 1.4388428157933038
Energy: 1.3505584550409093
Energy: 1.3993155352672753
Energy: 1.421508034459965
Energy: 1.409359251476536
Energy: 1.4683307161774755
Energy: 1.5305372459461495
Energy: 1.3979964562667844
Energy: 1.5217580718051706
Energy: 1.4940841805300513
Energy: 1.3375169274937515
Energy: 1.4655612024266087
Energy: 1.387580691590833
Energy: 1.3798190438441438
Energy: 1.3915302063230848
Energy: 1.3824341502790258
Energy: 1.4550565265620166
Energy: 1.4627421367335085
Energy: 1.368992265892556
Energy: 1.4926112699273697
Energy: 1.3672563092556533
Energy: 1.474609660084208
Energy: 1.3608606702918518
Energy: 1.3390749481721185
Energy: 1.4444918029224316
Energy: 1.4387524735863682
Energy: 1.4332754343144019
Energy: 1.498219570386408
Energy: 1.4880678585525984
Energy: 1.4426327951297964
Energy: 1.495291394353062
Energy: 1.3806635767668365
Energy: 1.4021804284187698
Energy: 1.3949275940013688
Energy: 1.409267831094242
Energy: 1.4139709888077037
Energy: 1.3688488178951652
Energy: 1.4388163035859316
Energy: 1.3547110224065908
Energy: 1.462805459282023
Energy: 1.3886051702036795
Energy: 1.3596290889612839
Energy: 1.412015918968153
Energy: 1.3661918432912645
Energy: 1.3955114747009805
Energy: 1.4811661167769525
Energy: 1.382133046886122
Energy: 1.3986003059047634
Energy: 1.4171446434984625
Energy: 1.4396467371070283
Energy: 1.4211705007862163
Energy: 1.4636960981543048
Energy: 1.4555491792879571
Energy: 1.4629152863303572
Energy: 1.3943132790520447
Energy: 1.3770521384631755
Energy: 1.394859472601978
Energy: 1.3641848522518787
Energy: 1.3968627771910695
Energy: 1.483648504832314
Energy: 1.3710986576643351
Energy: 1.4474561771910217
Energy: 1.3806741860565472
Energy: 1.4043290044468117
Energy: 1.3929992673138236
Energy: 1.4165816324516987
Energy: 1.3800602992406714
Energy: 1.4234879043125201
Energy: 1.3890494115562217
Energy: 1.528856173199435
Energy: 1.4895880653000066
Energy: 1.409029341446938
Energy: 1.47253208857886
Energy: 1.4280461709680377
Energy: 1.405369561891796
Energy: 1.378497458298865
Energy: 1.374487572903929
Energy: 1.5083384567253095
Energy: 1.3840879410072193
Energy: 1.369621841346854
Energy: 1.3492239925849985
Energy: 1.4808128445128594
Energy: 1.383110882094837
Energy: 1.3770030509509565
Energy: 1.3876928360325176
Energy: 1.3580171796194722
Energy: 1.4098075518785884
Energy: 1.3995268787475688
Energy: 1.4136005484792644
Energy: 1.4380883841591972
Energy: 1.5165032417874416
Energy: 1.453706046697107
Energy: 1.4216402771421397
Energy: 1.4266067507957265
Energy: 1.425286547829049
Energy: 1.509041179591039
Energy: 1.3624569334940975
Energy: 1.4520103846870707
Energy: 1.4135973177679528
Energy: 1.3572704181061384
Energy: 1.4175067156784367
Energy: 1.4351613541875572
Energy: 1.3854460229063503
Energy: 1.4390044154545076
Energy: 1.3897844660664749
Energy: 1.3362227285693753
Energy: 1.366433690917096
Energy: 1.3887460239440825
Energy: 1.3905008469195523
Energy: 1.4295092553168454
Energy: 1.3905819471045822
Energy: 1.4430918436270341
Energy: 1.5070722853430436
Energy: 1.4578791045927684
Energy: 1.3983662915080797
Energy: 1.4194501199496907
Energy: 1.4018994507830642
Energy: 1.4198083341336318
Energy: 1.3801721922367765
Energy: 1.3939333674910155
Energy: 1.3527026058142442
Energy: 1.396516023563665
Energy: 1.389294288564013
Energy: 1.4305586419473146
Energy: 1.402156570325448
Energy: 1.4023855072570235
Energy: 1.4061220233782576
Energy: 1.3935692486411322
Energy: 1.435025291878562
Energy: 1.3788196664061994
Energy: 1.4183082337901964
Energy: 1.4131325785975908
Energy: 1.4460630857268986
Energy: 1.394230766057486
Energy: 1.3671075870501568
Energy: 1.5179560137741637
Energy: 1.3634115178011526
Energy: 1.5215309716248338
Energy: 1.406966069117391
Energy: 1.4811144313518017
Energy: 1.4060457819713146
Energy: 1.352781437402724
Energy: 1.4931021646965728

minimum gb energy = 1.3354362612937127 eV
minimum distance =  2.21922942332935 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.2976844353911838
Energy: 1.2757728394024526
Energy: 1.3700418324828922
Energy: 1.569529801543868
Energy: 1.4706512877484303
Energy: 1.4381400533220152
Energy: 1.275646034894341
Energy: 1.2782904357879668
Energy: 1.4073290495632393
Energy: 1.4412663866260425
Energy: 1.3983756900924356
Energy: 1.3458819993227644
Energy: 1.3649776349595535
Energy: 1.4471007510834135
Energy: 1.3655426140834679
Energy: 1.3385626942228788
Energy: 1.4417801238887433
Energy: 1.3809154679723192
Energy: 1.3465518861912704
Energy: 1.3698479483226054
Energy: 1.367440892239609
Energy: 1.3568956326902488
Energy: 1.3639210666651236
Energy: 1.4432697074969583
Energy: 1.3644891024918357
Energy: 1.3811273923185023
Energy: 1.4583242635113796
Energy: 1.4430877079748907
Energy: 1.3717494157908354
Energy: 1.346013118925787
Energy: 1.4520126233699948
Energy: 1.3625515574226628
Energy: 1.4434227557767265
Energy: 1.4416648518628992
Energy: 1.367806103756884
Energy: 1.2746781334092032
Energy: 1.3478546336979726
Energy: 1.3617765090073441
Energy: 1.3378963173336302
Energy: 1.4091689618550294
Energy: 1.3642093447918746
Energy: 1.3650533223020171
Energy: 1.3881442594828415
Energy: 1.401653928725321
Energy: 1.3620298677027092
Energy: 1.401267844283756
Energy: 1.2762607224867666
Energy: 1.2800900346992747
Energy: 1.374176507341088
Energy: 1.276796523320125
Energy: 1.4131306001805457
Energy: 1.4783069099169948
Energy: 1.3402546619598263
Energy: 1.4728454910799764
Energy: 1.3669929338231683
Energy: 1.3661452054135654
Energy: 1.2743985100649624
Energy: 1.408858306804834
Energy: 1.4960551212017033
Energy: 1.3367063404101314
Energy: 1.3443871449105829
Energy: 1.366394577546798
Energy: 1.3692603457100065
Energy: 1.3580799345928622
Energy: 1.413182463872828
Energy: 1.4607500874060593
Energy: 1.3807370198976967
Energy: 1.345259786001489
Energy: 1.3675257088195407
Energy: 1.3676217448704258
Energy: 1.360467521110831
Energy: 1.3382857784043225
Energy: 1.451143564882444
Energy: 1.3340540362857736
Energy: 1.3440070526506784
Energy: 1.3713566774013168
Energy: 1.4475342658267387
Energy: 1.3916958604974754
Energy: 1.3453342641748747
Energy: 1.4249566640269682
Energy: 1.336023980622498
Energy: 1.3984744081800855
Energy: 1.4590014589327434
Energy: 1.3842726254286803
Energy: 1.276594515189461
Energy: 1.3456253956656146
Energy: 1.4761953087508926
Energy: 1.3723850898160628
Energy: 1.450973596201187
Energy: 1.461636847927717
Energy: 1.3670643731445637
Energy: 1.3941933934800563
Energy: 1.3383492129743426
Energy: 1.3622678523207787
Energy: 1.3831801073941552
Energy: 1.27644014265202
Energy: 1.2754479884217942
Energy: 1.4098638676882296
Energy: 1.2735749450257352
Energy: 1.4006882626749246
Energy: 1.3608986960231801
Energy: 1.3809952776949872
Energy: 1.2749017895920338
Energy: 1.275054848696289
Energy: 1.3840880889979563
Energy: 1.2755413035030672
Energy: 1.3621045111901022
Energy: 1.3700121945201318
Energy: 1.365278925922645
Energy: 1.4288697721449626
Energy: 1.4380071317841823
Energy: 1.275610713667084
Energy: 1.3628295518686757
Energy: 1.407288581161745
Energy: 1.4413700859790153
Energy: 1.3983862563462865
Energy: 1.3486214315687932
Energy: 1.3645193462506775
Energy: 1.4464382546842904
Energy: 1.3677381733738958
Energy: 1.3354469742089783
Energy: 1.4384978609413692
Energy: 1.3809974986167048
Energy: 1.346334442266308
Energy: 1.3702998618408666
Energy: 1.367552160599147
Energy: 1.3575402042652407
Energy: 1.3635510581053016
Energy: 1.4432912366550308
Energy: 1.3625993860942902
Energy: 1.4038566613013999
Energy: 1.4585045982174218
Energy: 1.463357426312401
Energy: 1.370867754140556
Energy: 1.346315138765452
Energy: 1.4529783326637962
Energy: 1.365109991093607
Energy: 1.4411423294644563
Energy: 1.4394215535974755
Energy: 1.3679593587137886
Energy: 1.2751261256385644
Energy: 1.3446592506547048
Energy: 1.3616159071384593
Energy: 1.3379997837135766
Energy: 1.409004706276311
Energy: 1.2740925189906733
Energy: 1.3843895070109866
Energy: 1.388334401808418
Energy: 1.4018268157012854
Energy: 1.3625211795928127
Energy: 1.401673978317551
Energy: 1.2763743635053415
Energy: 1.2765841953505728
Energy: 1.4081474421607425
Energy: 1.276345066689549
Energy: 1.4136811463443004
Energy: 1.4759953610080225
Energy: 1.3397215322599403
Energy: 1.4723013863398067
Energy: 1.3819326594237953
Energy: 1.367855077578991
Energy: 1.274225508888623
Energy: 1.4086763958783006
Energy: 1.465135122862996
Energy: 1.3358793033740353
Energy: 1.3444767660879324
Energy: 1.365262262873449
Energy: 1.3863131224105785
Energy: 1.3583686456895454
Energy: 1.4039488744874575
Energy: 1.4614911602987088
Energy: 1.3804436574001435
Energy: 1.3450838247793087
Energy: 1.3668422571329342
Energy: 1.3670103161908986
Energy: 1.3599651916139652
Energy: 1.3377489378851815
Energy: 1.451170713516719
Energy: 1.334396475400899
Energy: 1.344037405039861
Energy: 1.3615612239422281
Energy: 1.4501189855296055
Energy: 1.392772450708184
Energy: 1.3450854595978259
Energy: 1.4279369725171325
Energy: 1.3366586977397565
Energy: 1.3986602424066987
Energy: 1.371807375018533
Energy: 1.3840824098199138
Energy: 1.2775517206631481
Energy: 1.3455372441612938
Energy: 1.4756822039229944
Energy: 1.3706576051798136
Energy: 1.4506420053235494
Energy: 1.460549700411533
Energy: 1.3670293184457907
Energy: 1.3952596852035548
Energy: 1.3395994568608292
Energy: 1.3622131515393503
Energy: 1.3834249908714178
Energy: 1.2764948844332868
Energy: 1.2754033743176119
Energy: 1.4077877417063707
Energy: 1.2737234336611944
Energy: 1.4009799841423511
Energy: 1.3609732571314017
Energy: 1.4024668653198684
Energy: 1.2748815833236595
Energy: 1.2751386077016538
Energy: 1.3844747948039615

minimum gb energy = 1.2735749450257352 eV
minimum distance =  2.24251749617375 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.622653522538831
Energy: 1.5916045873530857
Energy: 1.3964293811279662
Energy: 1.7517517800734301
Energy: 1.3304647869560096
Energy: 1.4096747402652232
Energy: 1.5918252206198464
Energy: 1.3825499370375982
Energy: 1.3154299795987165
Energy: 1.5202974359559
Energy: 1.3129704106509095
Energy: 1.4220253273341692
Energy: 1.6327051130359485
Energy: 1.380102298414065
Energy: 1.491772430615552
Energy: 1.3886626057785239
Energy: 1.3792217286077408
Energy: 1.3679730934624992
Energy: 1.6488743675922766
Energy: 1.4803111657620853
Energy: 1.512148421176959
Energy: 1.3241942331772398
Energy: 1.3745800241167403
Energy: 1.4060868675213367
Energy: 1.3744526151809398
Energy: 1.3053853568942608
Energy: 1.3367865770492458
Energy: 1.5114079265030809
Energy: 1.3164562808990226
Energy: 1.2854904875328865
Energy: 1.367535768414755
Energy: 1.3177785581789445
Energy: 1.2855358590987211
Energy: 1.362082789639349
Energy: 1.3695331016646755
Energy: 1.2884844051262976
Energy: 1.2996958328930708
Energy: 1.372287513455587
Energy: 1.3357703210367593
Energy: 1.3541392711632676
Energy: 1.359414619546003
Energy: 1.3615571778895397
Energy: 1.3148118190053941
Energy: 1.3339510802473018
Energy: 1.337770323570682
Energy: 1.338152819612223
Energy: 1.2876154435564213
Energy: 1.2881085969018533
Energy: 1.3802861265473212
Energy: 1.4201687448711036
Energy: 1.3183057124025128
Energy: 1.4165582099213112
Energy: 1.3682505421551838
Energy: 1.3366848998437624
Energy: 1.3171161095845618
Energy: 1.3691637177802438
Energy: 1.3550698001192907
Energy: 1.3157199545613543
Energy: 1.365498721554734
Energy: 1.3733322024038424
Energy: 1.3608411339268625
Energy: 1.5124250687778789
Energy: 1.380338642083368
Energy: 1.4832165484729076
Energy: 1.440951163736289
Energy: 1.3829490561126045
Energy: 1.5231345669640395
Energy: 1.403417560896693
Energy: 1.4099978083695468
Energy: 1.6337323778602653
Energy: 1.4060118278909022
Energy: 1.3797154013024153
Energy: 1.3530124438265019
Energy: 1.3761685944592967
Energy: 1.2871004343610977
Energy: 1.292272764553237
Energy: 1.3596548524292773
Energy: 1.4201300970366901
Energy: 1.3123400513719496
Energy: 1.5334876043343366
Energy: 1.367616250196276
Energy: 1.5925016939600605
Energy: 1.595085570904873
Energy: 1.53248713472513
Energy: 1.5910333360168978
Energy: 1.4710501002329996
Energy: 1.423214068271585
Energy: 1.5363657246141686
Energy: 1.2510785589730407
Energy: 1.356452970728447
Energy: 1.421274582324662
Energy: 1.2934380943479675
Energy: 1.3242133800501767
Energy: 1.3543644410672557
Energy: 1.3805088814275466
Energy: 1.3294263918359537
Energy: 1.539874572553544
Energy: 1.3798206486688043
Energy: 1.420821602644682
Energy: 1.3880827521460417
Energy: 1.5025334695181114
Energy: 1.3527624067166977
Energy: 1.6441142609228427
Energy: 1.632147429252353
Energy: 1.363039326147188
Energy: 1.4997107096228437
Energy: 1.3123316298400476
Energy: 1.4257501527790506
Energy: 1.3803023833339156
Energy: 1.297726625426174
Energy: 1.3972757218011227
Energy: 1.518080629131388
Energy: 1.324841051612735
Energy: 1.3738702363802995
Energy: 1.3668811626127881
Energy: 1.3214205106518475
Energy: 1.327536930357442
Energy: 1.3463614199916045
Energy: 1.3695629834480985
Energy: 1.2882341712319767
Energy: 1.3664647040579536
Energy: 1.2847472328558787
Energy: 1.3705632066149727
Energy: 1.2842163213660438
Energy: 1.3563288012197432
Energy: 1.3376404540103022
Energy: 1.290285951676409
Energy: 1.3236349755942987
Energy: 1.4505494582152114
Energy: 1.424435372813985
Energy: 1.2876347128318437
Energy: 1.2880608788514831
Energy: 1.3650344667468608
Energy: 1.3296792879871089
Energy: 1.31846730846005
Energy: 1.417541129122765
Energy: 1.3987180041748424
Energy: 1.3360946844894703
Energy: 1.318812760455841
Energy: 1.3692717600953968
Energy: 1.4124670875645955
Energy: 1.402340977881331
Energy: 1.400596553158796
Energy: 1.4023157546426712
Energy: 1.3188382306526634
Energy: 1.512985447741666
Energy: 1.3814792953038388
Energy: 1.4812961946743215
Energy: 1.3506480346723546
Energy: 1.382206378484175
Energy: 1.3870811802394214
Energy: 1.4015739701807182
Energy: 1.351991974129973
Energy: 1.3705322501286796
Energy: 1.4841367218494494
Energy: 1.3141150851525685
Energy: 1.3726013796017027
Energy: 1.5762801420100974
Energy: 1.2505199171808807
Energy: 1.369158388156265
Energy: 1.4968618861614815
Energy: 1.4197371071858451
Energy: 1.3154528920953956
Energy: 1.4651201585232425
Energy: 1.3540052803080838
Energy: 1.5908542666929708
Energy: 1.5905306682476616
Energy: 1.537043821048855
Energy: 1.2929817811451394
Energy: 1.3245291403251065
Energy: 1.5564908286902663
Energy: 1.3334817312544718
Energy: 1.3784746336887626
Energy: 1.3795251452834172
Energy: 1.3914604700989306

minimum gb energy = 1.2505199171808807 eV
minimum distance =  2.27216966087528 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.6038532682701703
Energy: 1.6201246960090105
Energy: 1.7010547122296324
Energy: 1.7578093554351755
Energy: 1.7055495960830638
Energy: 1.5820390139875289
Energy: 1.5980515009807694
Energy: 1.7498498264893971
Energy: 1.6154813635774612
Energy: 1.6080229430643054
Energy: 1.493598439296877
Energy: 1.623887004084578
Energy: 1.588233565148045
Energy: 1.5376204991505198
Energy: 1.6527962057175871
Energy: 1.5938753086530357
Energy: 1.5622573963372826
Energy: 1.6425765149611002
Energy: 1.6383498833353909
Energy: 1.5932616617975917
Energy: 1.5364790849554713
Energy: 1.5385125460311038
Energy: 1.6648700125492744
Energy: 1.624343341513044
Energy: 1.6752010460497293
Energy: 1.6609719420759448
Energy: 1.6027074803428452
Energy: 1.5630825135210635
Energy: 1.5390205925930793
Energy: 1.6971742686298468
Energy: 1.5448751127441482
Energy: 1.5244767694977341
Energy: 1.546452054998295
Energy: 1.5213102587143275
Energy: 1.6541319984118137
Energy: 1.4615384168350098
Energy: 1.522197085771421
Energy: 1.4575488765730928
Energy: 1.45243644577767
Energy: 1.4764989790429577
Energy: 1.4994577466684431
Energy: 1.5005070389890665
Energy: 1.583788910134754
Energy: 1.5451895376925802
Energy: 1.489668472755816
Energy: 1.5378234369580859
Energy: 1.5455546063086554
Energy: 1.5309501064883984
Energy: 1.4950062424570942
Energy: 1.4359598707678556
Energy: 1.4656340727812542
Energy: 1.3854293246614304
Energy: 1.3547378471275318
Energy: 1.471761596632193
Energy: 1.4460835464900925
Energy: 1.4437866631182488
Energy: 1.3378774739378865
Energy: 1.4423050581139993
Energy: 1.4472010773849613
Energy: 1.3289534785565331
Energy: 1.4967716464145102
Energy: 1.5173019237646506
Energy: 1.493601454568318
Energy: 1.575056206665802
Energy: 1.3600867227920286
Energy: 1.474834527094257
Energy: 1.3614108175931114
Energy: 1.3891241207675076
Energy: 1.430768995214088
Energy: 1.3856673011266354
Energy: 1.432905004083171
Energy: 1.439755918833412
Energy: 1.3748103573790198
Energy: 1.3944228985890652
Energy: 1.4181209593675979
Energy: 1.4140134388558927
Energy: 1.4500505897579834
Energy: 1.3367363941500798
Energy: 1.43396351635444
Energy: 1.6028563580224149
Energy: 1.521582211203511
Energy: 1.4078691747093082
Energy: 1.490164825997444
Energy: 1.4330346858652145
Energy: 1.4649409283459105
Energy: 1.4069802905447957
Energy: 1.4649892136550362
Energy: 1.377612650610256
Energy: 1.4928453165159128
Energy: 1.4020804234055757
Energy: 1.4005288791323942
Energy: 1.624569020657381
Energy: 1.5000395350005409
Energy: 1.4648250270062626
Energy: 1.4343267913014768
Energy: 1.3837157486887501
Energy: 1.4467211833090758
Energy: 1.4315594698235412
Energy: 1.3936516002598587
Energy: 1.5585232794793038
Energy: 1.5189239246114186
Energy: 1.4388264094358936
Energy: 1.4011203397935883
Energy: 1.4742475254726715
Energy: 1.5699282416088627
Energy: 1.296408660551931
Energy: 1.5414307239179323
Energy: 1.4802774607878342
Energy: 1.4749436039899466
Energy: 1.452768328323406
Energy: 1.5100894841738408
Energy: 1.591830672322003
Energy: 1.4527534740074586
Energy: 1.6027732705278703
Energy: 1.5457721421131605
Energy: 1.5955616247340547
Energy: 1.5418624492942938
Energy: 1.6007622855070605
Energy: 1.591507520755792
Energy: 1.4475412172017497
Energy: 1.6368533952875912
Energy: 1.5590889863632045
Energy: 1.6188298185637817
Energy: 1.5610842751088438
Energy: 1.602722897860562
Energy: 1.596024147174766
Energy: 1.5704877262206605
Energy: 1.6257164763969831
Energy: 1.5181200576431866
Energy: 1.392366968435197
Energy: 1.495885878959044
Energy: 1.5108713462435062
Energy: 1.5446767278823237
Energy: 1.5208663657716166
Energy: 1.629395369852793
Energy: 1.6118569910421634
Energy: 1.722858475369147
Energy: 1.6743365620289437
Energy: 1.6049325262304135
Energy: 1.3574169819481867
Energy: 1.7073264383351618
Energy: 1.6212088424753723
Energy: 1.5914454860294343
Energy: 1.5714212930919798
Energy: 1.4789240525896148
Energy: 1.5674228844166098
Energy: 1.5854326393398483
Energy: 1.7308682290354642
Energy: 1.5879966520528725
Energy: 1.61522446496024
Energy: 1.669781936807256
Energy: 1.6265286177847418
Energy: 1.5710838612994273
Energy: 1.587123873606058
Energy: 1.2992411853630301
Energy: 1.4502522985131876
Energy: 1.608410518157395
Energy: 1.7183284816113131
Energy: 1.6462952863104432
Energy: 1.6150570018952808
Energy: 1.4892670877523067
Energy: 1.7616067206887678
Energy: 1.597919185238188
Energy: 1.5769616156779174
Energy: 1.4952870566985836
Energy: 1.4726351014408812
Energy: 1.388777273342622
Energy: 1.5883160619243737
Energy: 1.4830613874041338
Energy: 1.6190368149408754
Energy: 1.5627251917478753
Energy: 1.5595002338352615
Energy: 1.6646026942285241
Energy: 1.622295156107885
Energy: 1.6084340060505908
Energy: 1.4544369799559516
Energy: 1.6179899984641557
Energy: 1.5830369091777858
Energy: 1.5985416757951838
Energy: 1.6612053453305677
Energy: 1.6049425349040378
Energy: 1.6011605840159777
Energy: 1.5130011042364089
Energy: 1.564751648521221
Energy: 1.469296149649221
Energy: 1.4552624293593235
Energy: 1.5426824866260707
Energy: 1.5640964958569274
Energy: 1.6495437866796359
Energy: 1.4600511249999952
Energy: 1.4961554597406739
Energy: 1.4817716540286465
Energy: 1.3780034588540007
Energy: 1.452054781632688
Energy: 1.46458078637644
Energy: 1.4891994561095352
Energy: 1.4452033866282568
Energy: 1.5418906991176473
Energy: 1.5081186059726526
Energy: 1.577696029536003
Energy: 1.3959628484943856
Energy: 1.5257878602403465
Energy: 1.5704343121915958
Energy: 1.4735532524858828
Energy: 1.437121287973461
Energy: 1.4581027136435145
Energy: 1.4410173739808645
Energy: 1.4386305215379884
Energy: 1.4305090266203002
Energy: 1.4462334577805807
Energy: 1.3518775099643727
Energy: 1.428688666501356
Energy: 1.5804645895014489
Energy: 1.440043189464439
Energy: 1.4908562800566993
Energy: 1.5707119047177927
Energy: 1.495152739409498
Energy: 1.4155911272032722
Energy: 1.4814396848537756
Energy: 1.451345708771772
Energy: 1.385045679090344
Energy: 1.3960877064695187
Energy: 1.470506350196636
Energy: 1.4120715490231361
Energy: 1.5008117880000789
Energy: 1.456308027351785
Energy: 1.4005584304444416
Energy: 1.4162473863139142
Energy: 1.4335892674219262
Energy: 1.517775892479866
Energy: 1.4509152869617226
Energy: 1.3476122118700629
Energy: 1.4251594840646842
Energy: 1.4925713447900513
Energy: 1.4975073291877563
Energy: 1.4892123423696342
Energy: 1.5163569631819345
Energy: 1.432348599086654
Energy: 1.442029196689471
Energy: 1.425652373121345
Energy: 1.4118179511278506
Energy: 1.4116299249982105
Energy: 1.4114557673112775
Energy: 1.3542210462832094
Energy: 1.4030106299646656
Energy: 1.6222832779957104
Energy: 1.4912850744874895
Energy: 1.4430851490697896
Energy: 1.415416353694054
Energy: 1.395288784533896
Energy: 1.454216735148264
Energy: 1.5126732181127815
Energy: 1.393991570205716
Energy: 1.4874864748615106
Energy: 1.4429056873785502
Energy: 1.3216251865087312
Energy: 1.3628453707691974
Energy: 1.4340138187268217
Energy: 1.454948585886057
Energy: 1.3023276362457041
Energy: 1.5872206491859087
Energy: 1.4963631867303122
Energy: 1.4438935849299748
Energy: 1.458152610641818
Energy: 1.488090927495798
Energy: 1.5754882100091487
Energy: 1.464397571000672
Energy: 1.5719149506566439
Energy: 1.549412701642208
Energy: 1.5875313281190395
Energy: 1.5678337499293433
Energy: 1.5558399348883531
Energy: 1.498610377652738
Energy: 1.4474312639767783
Energy: 1.632792646936219
Energy: 1.5511548283440328
Energy: 1.514767103242016
Energy: 1.58808975298207
Energy: 1.6059893893639234
Energy: 1.602547141948119
Energy: 1.719209938908052
Energy: 1.6935050719677989
Energy: 1.533984679004011
Energy: 1.5427384631637473
Energy: 1.7175233051462293
Energy: 1.5236230313636665
Energy: 1.5889998853411857
Energy: 1.582275346301221
Energy: 1.6269519397025776
Energy: 1.649274969142044
Energy: 1.7233124512580833
Energy: 1.6790435536420876
Energy: 1.5991006345998198
Energy: 1.51565432073377
Energy: 1.7049709418444994
Energy: 1.6207594950658
Energy: 1.5902489744015869
Energy: 1.5245512481912704
Energy: 1.3437346819493066
Energy: 1.5602311385072896
Energy: 1.5145319119210654
Energy: 1.716175594336821
Energy: 1.624440437204047
Energy: 1.6061322942485017
Energy: 1.6368836410711753
Energy: 1.511245777818039
Energy: 1.5664905109091651
Energy: 1.5946858000404995
Energy: 1.3058251384324329
Energy: 1.5878947325784492
Energy: 1.6970123501405898
Energy: 1.7517717580039336
Energy: 1.4695997155684046
Energy: 1.5795633408280008
Energy: 1.4859524186173323

minimum gb energy = 1.296408660551931 eV
minimum distance =  2.18963599918359 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.4357045835114066
Energy: 1.3877792468562256
Energy: 1.3877132883072367
Energy: 1.3918373904693084
Energy: 1.3946443235852874
Energy: 1.3880822251729044
Energy: 1.387920842316681
Energy: 1.44884054790475
Energy: 1.6808988035575096
Energy: 1.3820691126443976
Energy: 1.3579026848757856
Energy: 1.358553237308451
Energy: 1.38229426798784
Energy: 1.685812842050614
Energy: 1.3830696466283838
Energy: 1.7118110948317105
Energy: 1.3789063554230747
Energy: 1.359044106783008
Energy: 1.3709218596879678
Energy: 1.3771646570824305
Energy: 1.3882927850517193
Energy: 1.3839767067178523
Energy: 1.7135350771877529
Energy: 1.3793638320862232
Energy: 1.3614694875100926
Energy: 1.361720650347241
Energy: 1.3771773543688195
Energy: 1.3933717249264441
Energy: 1.4487516948884274
Energy: 1.6836753963804807
Energy: 1.402612403835235
Energy: 1.6875545689590723
Energy: 1.3708089942326942
Energy: 1.4016183138071698
Energy: 1.6847824997736416
Energy: 1.3869209699012783
Energy: 1.744563187660085
Energy: 1.365628602216507
Energy: 1.393156621397107
Energy: 1.396596728249583
Energy: 1.3660333906571842
Energy: 1.3886383857429276
Energy: 1.3825698230650372
Energy: 1.711274202792594
Energy: 1.3811006433878363
Energy: 1.3571064243056261
Energy: 1.3570593367868604
Energy: 1.3800165718624176
Energy: 1.6821382694291975
Energy: 1.3826205980582822
Energy: 1.7110108365041476
Energy: 1.379959650387055
Energy: 1.3569547928855907
Energy: 1.372402332721294
Energy: 1.3784067633861403
Energy: 1.6775305727101186
Energy: 1.3869661966305107
Energy: 1.747916931398742
Energy: 1.3789711104079787
Energy: 1.3956147744975966
Energy: 1.4009311040497576
Energy: 1.3782999087314178
Energy: 1.389838769338452
Energy: 1.4483031393012384
Energy: 1.6792523513998416
Energy: 1.4026115776250272
Energy: 1.6886210764624499
Energy: 1.7531987564792506
Energy: 1.403545166732343
Energy: 1.6828124315690354
Energy: 1.386197729553181
Energy: 1.7159078613104082
Energy: 1.3800282553776677
Energy: 1.3983407930447789
Energy: 1.3627997861783674
Energy: 1.3776024848312232
Energy: 1.3913231811917417
Energy: 1.3825596819158987
Energy: 1.7112369843688613
Energy: 1.3791887394230131
Energy: 1.3577642620488544
Energy: 1.3713862260365133
Energy: 1.3777496989641056
Energy: 1.7122365452295372
Energy: 1.3833033325290163
Energy: 1.6756129681956553
Energy: 1.3819346313453857
Energy: 1.356023588777088
Energy: 1.3582300933891185
Energy: 1.381182127235976
Energy: 1.6841802423564998
Energy: 1.3844735782358875
Energy: 1.7379487356354053
Energy: 1.3644045545628873
Energy: 1.3924093815498577
Energy: 1.3953620156336601
Energy: 1.3623157903659067
Energy: 1.3881856459276396
Energy: 1.448666346549969
Energy: 1.683600263330077
Energy: 1.4022276942728158
Energy: 1.3584009961681172
Energy: 1.3591252300812569
Energy: 1.3791553382932038
Energy: 1.6864402161745384
Energy: 1.383602920399502
Energy: 1.7129159280013595
Energy: 1.3786618665204071
Energy: 1.3620930897652015
Energy: 1.3709714427881314
Energy: 1.376824938478501
Energy: 1.3888592977939553
Energy: 1.3829055977463403
Energy: 1.7114622748540762
Energy: 1.3788503566771448
Energy: 1.3608059418612497
Energy: 1.3704961734061076
Energy: 1.3767349994154727
Energy: 1.3883930433956813
Energy: 1.4486731532246702
Energy: 1.6847580061679803
Energy: 1.3791042629395702
Energy: 1.3590613734095487
Energy: 1.3593875419089396
Energy: 1.3783077671916306
Energy: 1.6866643916871813
Energy: 1.3848807094112796
Energy: 1.7102711784667053
Energy: 1.3617174630086475
Energy: 1.391911151965202
Energy: 1.39482276620423
Energy: 1.3624053200664143
Energy: 1.3879833291801353
Energy: 1.3843581055538103
Energy: 1.6806333415253223
Energy: 1.3822377708583304
Energy: 1.357198328935658
Energy: 1.3584285116147667
Energy: 1.381879291677501
Energy: 1.6846281647300296

minimum gb energy = 1.356023588777088 eV
minimum distance =  2.3081434196708 Angstroms
sigma value = 23