Model name: model_name=EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005
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=3.519999995827675
cohesive_energy=4.450349977830043
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.0369753289349198e-19, 2.89005427770822e-19, 3.53933635863672e-19, 4.0663403188583394e-19, 4.5081245039175e-19, 4.88561334065424e-19, 5.21207285159808e-19, 5.496587378263799e-19, 5.7457258448508e-19, 5.9644229553918e-19, 6.15657199910742e-19, 6.32518506806958e-19, 6.47277757959366e-19, 6.60141634153752e-19, 6.712815682899539e-19, 6.808449606183e-19, 6.8895998526951e-19, 6.957323859014279e-19, 7.01267906171898e-19, 7.05641848382718e-19, 7.089327191889539e-19, 7.112110143625019e-19, 7.12537616615454e-19, 7.1296860213e-19, 7.125087774360419e-19, 7.11025161872958e-19, 7.0834632254090995e-19, 7.041149740505159e-19, 6.98906297813382e-19, 6.928180266041819e-19, 6.85544144685822e-19, 6.766937209596059e-19, 6.658005220250399e-19, 6.52308592590126e-19, 6.35516179289172e-19, 6.147615831723359e-19, 5.8911233743863e-19, 5.5727708772105e-19, 5.176200116762819e-19, 4.683226388247359e-19, 4.0889470311640795e-19, 3.3612704475339596e-19, 2.4568577594072997e-19, 1.338798021490008e-19, -6.7185034099502396e-21, -1.8409490177650198e-19, -4.1072759318570394e-19, -7.021491033205979e-19, -1.0703132720474579e-18, -1.54058095330587e-18, -2.1347401471415997e-18, -2.8258550599838397e-18]
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: 0.01810199770879828
Energy: 0.15293655536587006
Energy: 0.8964946123479323
Energy: 0.018447259024123044
Energy: 0.15293655536653158
Energy: 1.0602325025699884
Energy: 0.018447259024123044
Energy: 1.0602325025693269
Energy: 0.8964946123446982
Energy: 0.018447259022175207
Energy: 0.01810199770879828
Energy: 0.15293655536653158
Energy: 0.018447259027320435
Energy: 1.060232502568702
Energy: 0.1529365553671931
Energy: 1.0602325025712747

minimum gb energy = 0.01810199770879828 eV
minimum distance =  2.41497830886455 Angstroms
sigma value = 1


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

Energy: 1.6712607208815808
Energy: 1.1836042466380101
Energy: 1.1849447516180591
Energy: 1.1038309712779013
Energy: 1.1106262669841103
Energy: 1.2201119030669425
Energy: 1.1115687097483313
Energy: 1.2201119030661403
Energy: 1.1854317383363309
Energy: 1.1837842750111012
Energy: 1.1106318604135832
Energy: 1.1837842750167173
Energy: 1.1121884994179427
Energy: 1.1105865481149486
Energy: 1.111479437533137
Energy: 1.1105865481157509
Energy: 1.1530495104685512
Energy: 1.1108537241257752
Energy: 1.1126489990383963
Energy: 1.1108537241225662
Energy: 1.166040759542869
Energy: 1.2240140725606183
Energy: 1.1127408177492681
Energy: 1.2240140725590136
Energy: 1.1551123227697422
Energy: 1.1981255492542178
Energy: 1.152420156200587
Energy: 1.1981255492494038
Energy: 1.1554988073211223
Energy: 1.1542720275357903
Energy: 1.2006403194201936
Energy: 1.154272027539802
Energy: 1.179238575493754
Energy: 1.2672499467661198
Energy: 1.1812376049233402
Energy: 1.2672499467645153
Energy: 1.198828021471069
Energy: 1.24125641532055
Energy: 1.182029952522184
Energy: 1.2412564153237593
Energy: 1.176127393179929
Energy: 1.2666776927654584
Energy: 1.1806614610025836
Energy: 1.2666776927654584
Energy: 1.154915459243896
Energy: 1.2675353176895028
Energy: 1.2054143861321842
Energy: 1.2675353176854913
Energy: 1.1798602665278073
Energy: 1.1984318899761108
Energy: 1.120244748990717
Energy: 1.1984318899801223
Energy: 1.166603625145593
Energy: 1.203318499631387
Energy: 1.1595911948763833
Energy: 1.203318499631387
Energy: 1.1195047438430903
Energy: 1.110509700091743
Energy: 1.1097016873509422
Energy: 1.1105097000997661
Energy: 1.150302546491914
Energy: 1.1110739207525486
Energy: 1.1103434499254519
Energy: 1.1110739207541531
Energy: 1.1836868095204902
Energy: 1.1838582458253406
Energy: 1.0992471718278003
Energy: 1.1838582458293523
Energy: 1.1112793285833809
Energy: 1.111094889584006
Energy: 1.1211389180834632
Energy: 1.111094889584006
Energy: 1.1105762698487378
Energy: 1.1843425272695705
Energy: 1.1866720520822809
Energy: 1.1843425272639543
Energy: 1.1650549223803384
Energy: 1.1104659741935345
Energy: 1.111789517649495
Energy: 1.1104659741806981
Energy: 1.1102745011160382
Energy: 1.1132156114133114
Energy: 1.1528494120105064
Energy: 1.1132156114084977
Energy: 1.1122833761012652
Energy: 1.11135551780146
Energy: 1.1659790447940994
Energy: 1.1113555177982508
Energy: 1.151731851453887
Energy: 1.1994587545328346
Energy: 1.1539290908193556
Energy: 1.1994587545328346
Energy: 1.2009942886975697
Energy: 1.2000687077311512
Energy: 1.1543793405195761
Energy: 1.2000687077351628
Energy: 1.1807645939597275
Energy: 1.269126415679366
Energy: 1.17910859058224
Energy: 1.2691264156753543
Energy: 1.1836848945351817
Energy: 1.2643386898479776
Energy: 1.2006906824770505
Energy: 1.2643386898503846
Energy: 1.1796432148127767
Energy: 1.2665428185404666
Energy: 1.1774381781916312
Energy: 1.2665428185412688
Energy: 1.2021300747958263
Energy: 1.2671713932006758
Energy: 1.1890109504193935
Energy: 1.267171393206292
Energy: 1.1205350664456186
Energy: 1.1979439015933877
Energy: 1.1835574725838243
Energy: 1.1979439015949922
Energy: 1.1595975571147679
Energy: 1.197935910666232
Energy: 1.1656069220306322
Energy: 1.1979359106670342
Energy: 1.1092128256013303
Energy: 1.11001732827801
Energy: 1.12000460405932
Energy: 1.1100173282828236
Energy: 1.1104353960654418
Energy: 1.1102669754581171
Energy: 1.1498643261004247
Energy: 1.1102669754613264
Energy: 1.0985719362087114
Energy: 1.1131142975757435
Energy: 1.1859690758523005
Energy: 1.1131142975733366

minimum gb energy = 1.0985719362087114 eV
minimum distance =  2.20949243893615 Angstroms
sigma value = 1


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

Energy: 1.8917330259377387
Energy: 1.2373841377048047
Energy: 1.2390318315785218
Energy: 1.1472551373960436
Energy: 1.1574728242804417
Energy: 1.2717228077980796
Energy: 1.158316379194218
Energy: 1.2717228077853147
Energy: 1.2375832826084554
Energy: 1.2381127958567588
Energy: 1.1573761717962108
Energy: 1.2381127958567588
Energy: 1.160885271754926
Energy: 1.1573634960849306
Energy: 1.1585017113412956
Energy: 1.1573634960931634
Energy: 1.1581079273082568
Energy: 1.1581364394827516
Energy: 1.1569392373269836
Energy: 1.1581364394745186
Energy: 1.2239801264663681
Energy: 1.2879667530792627
Energy: 1.1588231044680428
Energy: 1.287966753049076
Energy: 1.2145916274566526
Energy: 1.261679178899718
Energy: 1.2084289295049304
Energy: 1.261679178895144
Energy: 1.2112655327832018
Energy: 1.2641688394995862
Energy: 1.2596231499177901
Energy: 1.2641688395078188
Energy: 1.2105580323242864
Energy: 1.3291923968921096
Energy: 1.2291331434070019
Energy: 1.3291923968875357
Energy: 1.2602743227418105
Energy: 1.3173468646140412
Energy: 1.211852560452925
Energy: 1.3173468646167854
Energy: 1.171730018022335
Energy: 1.2617990776481818
Energy: 1.214728133391348
Energy: 1.2617990776454375
Energy: 1.217173284659888
Energy: 1.262498175499828
Energy: 1.225662661629942
Energy: 1.2624981754970837
Energy: 1.157672363638807
Energy: 1.1576464243093607
Energy: 1.1713060136238493
Energy: 1.1576464243239968
Energy: 1.157511612154724
Energy: 1.1579590339192876
Energy: 1.2003261507817145
Energy: 1.1579590339165435
Energy: 1.140426989589534
Energy: 1.2369810837223996
Energy: 1.2381560068611546
Energy: 1.2369810837150816
Energy: 1.1730132633062655
Energy: 1.1581749864961248
Energy: 1.157628113861365
Energy: 1.1581749864869773
Energy: 1.2376167507788047
Energy: 1.238576319362906
Energy: 1.15704307999534
Energy: 1.2385763193574175
Energy: 1.1600329800556923
Energy: 1.1573230132419516
Energy: 1.2224421287889682
Energy: 1.1573230132401222
Energy: 1.15763409835759
Energy: 1.1609384787202837
Energy: 1.1589095444712318
Energy: 1.1609384787229866
Energy: 1.2241732179457006
Energy: 1.15875631966017
Energy: 1.1600185140074348
Energy: 1.1587563196336836
Energy: 1.210294540228628
Energy: 1.2650132187418615
Energy: 1.208090546584453
Energy: 1.26501321872814
Energy: 1.2092571401814602
Energy: 1.2634879262498315
Energy: 1.2607878956654281
Energy: 1.263487926257108
Energy: 1.2097805825660952
Energy: 1.3306113897221645
Energy: 1.2298807235266895
Energy: 1.3306113897294827
Energy: 1.2604489332776585
Energy: 1.3286180717643277
Energy: 1.2472915344651032
Energy: 1.3286180717606684
Energy: 1.172685760372029
Energy: 1.2616120762154697
Energy: 1.255142274339595
Energy: 1.261612076193516
Energy: 1.2164388991260326
Energy: 1.2619801463942415
Energy: 1.2253811680093518
Energy: 1.2619801463951563
Energy: 1.156992444494377
Energy: 1.1575502443907277
Energy: 1.1719629309043011
Energy: 1.1575502443669856
Energy: 1.1583190819422997
Energy: 1.1572954724247873
Energy: 1.2005436907250613
Energy: 1.1572954724156814
Energy: 1.1402082640116684
Energy: 1.160622997578414
Energy: 1.239235298753409
Energy: 1.160622997577499

minimum gb energy = 1.1402082640116684 eV
minimum distance =  2.20498925482816 Angstroms
sigma value = 25


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

Energy: 1.7917140442611816
Energy: 1.2942379902219652
Energy: 1.293534955182665
Energy: 1.1889925461316464
Energy: 1.210559252866077
Energy: 1.324229335135133
Energy: 1.2090735425768178
Energy: 1.3242293351330063
Energy: 1.2931267092745782
Energy: 1.2936333562728153
Energy: 1.2088177004815417
Energy: 1.2936333562696254
Energy: 1.2120897732523515
Energy: 1.2093631526517583
Energy: 1.2108911499570278
Energy: 1.209363152652822
Energy: 1.2073874548932064
Energy: 1.2102317689592381
Energy: 1.2089867690582619
Energy: 1.2102317689624282
Energy: 1.2903976576587664
Energy: 1.3459702528799367
Energy: 1.2082325773085187
Energy: 1.34597025287781
Energy: 1.2576103685030529
Energy: 1.3397050098353978
Energy: 1.2553971794720802
Energy: 1.3397050098375245
Energy: 1.257027564190498
Energy: 1.3412990875780382
Energy: 1.3255628009953815
Energy: 1.3412990875833553
Energy: 1.257578400354822
Energy: 1.3397754601573069
Energy: 1.2346877459850167
Energy: 1.3397754601573069
Energy: 1.291713890182047
Energy: 1.3402840820127417
Energy: 1.2087399670744023
Energy: 1.3402840820074249
Energy: 1.1800762555380553
Energy: 1.209027631646523
Energy: 1.2098708823532955
Energy: 1.2090276316486495
Energy: 1.1799276732295616
Energy: 1.2086922506993867
Energy: 1.2096190603719077
Energy: 1.2086922506993867
Energy: 1.2922986488419306
Energy: 1.29411093547089
Energy: 1.180397683370566
Energy: 1.29411093547089
Energy: 1.209217516871456
Energy: 1.2122250913893555
Energy: 1.2338143906561916
Energy: 1.2122250913872286
Energy: 1.2073820705769436
Energy: 1.294590291849948
Energy: 1.295154496191213
Energy: 1.2945902918488845
Energy: 1.2888381876611261
Energy: 1.2091518940822863
Energy: 1.2118180624062658
Energy: 1.20915189408654
Energy: 1.2122289283877294
Energy: 1.2128413219880123
Energy: 1.2080786298947144
Energy: 1.2128413219901393
Energy: 1.2083796377494023
Energy: 1.2092654121963924
Energy: 1.29113349360387
Energy: 1.2092654121963924
Energy: 1.25571778273779
Energy: 1.3434370581664934
Energy: 1.2637983268390651
Energy: 1.343437058170747
Energy: 1.3271381338224069
Energy: 1.341789953413219
Energy: 1.2598731294145407
Energy: 1.3417899534089652
Energy: 1.2344988884047732
Energy: 1.339772070465148
Energy: 1.2575926150125285
Energy: 1.3397720704747182
Energy: 1.2354321999038533
Energy: 1.3400300242338177
Energy: 1.2921094065660532
Energy: 1.340030024231691
Energy: 1.2087784862309439
Energy: 1.2087725003913814
Energy: 1.1802039784843443
Energy: 1.2087725003935081
Energy: 1.2086290287984662
Energy: 1.2085343016748715
Energy: 1.1800113280216382
Energy: 1.2085343016769983
Energy: 1.17929084471395
Energy: 1.2118096075195977
Energy: 1.2939627667181293
Energy: 1.211809607524915

minimum gb energy = 1.17929084471395 eV
minimum distance =  2.21105857054186 Angstroms
sigma value = 9


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

Energy: 1.6435856113917848
Energy: 1.350273099295546
Energy: 1.350417115665294
Energy: 1.2290734181967427
Energy: 1.2678390916279123
Energy: 1.3728092010588422
Energy: 1.2673442573955098
Energy: 1.3728092010524995
Energy: 1.3499587989917774
Energy: 1.3494804109628962
Energy: 1.2612077452378594
Energy: 1.3494804109603586
Energy: 1.2644335698165923
Energy: 1.4565330888160057
Energy: 1.2676237458961375
Energy: 1.4565330888198114
Energy: 1.2640515047227252
Energy: 1.2676728338681336
Energy: 1.2672894508617436
Energy: 1.2676728338605225
Energy: 1.2671946773187723
Energy: 1.2713887673660282
Energy: 1.268752148330637
Energy: 1.2713887673546402
Energy: 1.3080742082615027
Energy: 1.416735336165639
Energy: 1.2680776287110183
Energy: 1.4167353361707131
Energy: 1.2695525834320969
Energy: 1.414872444927442
Energy: 1.2680583569546582
Energy: 1.4148724449210992
Energy: 1.2654660008077525
Energy: 1.2682293157560922
Energy: 1.215247617047829
Energy: 1.2682293157573608
Energy: 1.2679413515364986
Energy: 1.267822536475239
Energy: 1.2147357521318185
Energy: 1.267822536480313
Energy: 1.2152606283420648
Energy: 1.3497991062049424
Energy: 1.3488477717523932
Energy: 1.3497991062049424
Energy: 1.3033578493187403
Energy: 1.266678380603303
Energy: 1.267504866745274
Energy: 1.26667838060584
Energy: 1.3496251260569179
Energy: 1.3503866504590154
Energy: 1.347432043256641
Energy: 1.3503866504640893
Energy: 1.2622200374049928
Energy: 1.2674586029288266
Energy: 1.2616349931915203
Energy: 1.2674586029288266
Energy: 1.263412973063479
Energy: 1.2680471896198506
Energy: 1.27079233025718
Energy: 1.2680471896160448
Energy: 1.2664227430309702
Energy: 1.268962134738389
Energy: 1.2704997365779298
Energy: 1.268962134730778
Energy: 1.3045422770061539
Energy: 1.4177134387115047
Energy: 1.2679698053743755
Energy: 1.417713438707699
Energy: 1.3029816464642539
Energy: 1.4162348553250306
Energy: 1.2673633312774055
Energy: 1.4162348553224937
Energy: 1.2654048176961832
Energy: 1.2682918229603095
Energy: 1.2147746662838712
Energy: 1.2682918229565041
Energy: 1.2675658351158332
Energy: 1.268098708117236
Energy: 1.215508723443621
Energy: 1.2680987081146988
Energy: 1.214248233598693
Energy: 1.262686552515079
Energy: 1.3512766013984379
Energy: 1.2626865525188558

minimum gb energy = 1.214248233598693 eV
minimum distance =  2.22910441493001 Angstroms
sigma value = 25


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

Energy: 1.4247191749797865
Energy: 1.4069285874263782
Energy: 1.406093511594508
Energy: 1.2547283469314119
Energy: 1.2798135372471866
Energy: 1.358477929431151
Energy: 1.2795847336820445
Energy: 1.358477929431151
Energy: 1.405422595974569
Energy: 1.4065154243230962
Energy: 1.241543774624025
Energy: 1.4065154243215272
Energy: 1.246357897190069
Energy: 1.359862359709225
Energy: 1.2790302335844552
Energy: 1.3598623597076565
Energy: 1.3268513734365541
Energy: 1.2809011882186838
Energy: 1.281127686917593
Energy: 1.28090118824218
Energy: 1.246116819085757
Energy: 1.2793358038198992
Energy: 1.2777734350045988
Energy: 1.2793358037963676
Energy: 1.2388292293339715
Energy: 1.2799672543744598
Energy: 1.282344781831185
Energy: 1.2799672544074043
Energy: 1.2388327921988245
Energy: 1.4126162679311844
Energy: 1.2845818316534516
Energy: 1.4126162679296155
Energy: 1.404710620204237
Energy: 1.4063036845620251
Energy: 1.5530047808521181
Energy: 1.4063036845588872
Energy: 1.2818733322564044
Energy: 1.2449609157394093
Energy: 1.238201705256553
Energy: 1.244960915740978
Energy: 1.2407062470051402
Energy: 1.4068169247703277
Energy: 1.4063327289350613
Energy: 1.4068169247703277
Energy: 1.242926707468354
Energy: 1.360326839544996
Energy: 1.2482650407018017
Energy: 1.3603268395465646
Energy: 1.2794522895770504
Energy: 1.2455256555228862
Energy: 1.3266730132707814
Energy: 1.2455256555260241
Energy: 1.280906140143272
Energy: 1.279444996356323
Energy: 1.2481192689897807
Energy: 1.2794449963406354
Energy: 1.3334573364058568
Energy: 1.2815270758479127
Energy: 1.2387860829830661
Energy: 1.2815270758588586
Energy: 1.2792902526243368
Energy: 1.279117242669125
Energy: 1.238460088389228
Energy: 1.2791172426393178
Energy: 1.2385261797593123
Energy: 1.2470016894640272
Energy: 1.4090442994574421
Energy: 1.2470016894640272

minimum gb energy = 1.238201705256553 eV
minimum distance =  2.26568419485971 Angstroms
sigma value = 17


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

Energy: 2.017770365346644
Energy: 1.536003793431204
Energy: 1.5347452176744594
Energy: 1.4409311195920347
Energy: 1.3153722434539936
Energy: 1.3456394142160042
Energy: 1.340345401010493
Energy: 1.3456394142098251
Energy: 1.3508793146919025
Energy: 1.3511953574335502
Energy: 1.426504723230601
Energy: 1.3511953574300368
Energy: 1.3542901761570683
Energy: 1.345144120153215
Energy: 1.341043122242703
Energy: 1.3451441201612113
Energy: 1.3495004704928772
Energy: 1.442615686124395
Energy: 1.3587416479471068
Energy: 1.4426156861163986
Energy: 1.344252698046917
Energy: 1.4410663848367642
Energy: 1.350180799479547
Energy: 1.4410663848376528
Energy: 1.430743000300932
Energy: 1.3487510664853903
Energy: 1.3507392623141197
Energy: 1.3487510664924984
Energy: 1.4196413478761354
Energy: 1.3426704668009457
Energy: 1.3146458713571623
Energy: 1.3426704667991687
Energy: 1.538231493575676
Energy: 1.535805103601533
Energy: 1.4258884587480982
Energy: 1.5358051036077522
Energy: 1.5461568132248664
Energy: 1.4412559264856544
Energy: 1.3417065214693653
Energy: 1.4412559264838776
Energy: 1.3472996649414994
Energy: 1.317130102527715
Energy: 1.2905246483060815
Energy: 1.3171301025214954
Energy: 1.4262149305917198
Energy: 1.318101091281104
Energy: 1.3135239971593036
Energy: 1.3181010912855464
Energy: 1.4324454258352801
Energy: 1.3194048478984486
Energy: 1.3161585099630773
Energy: 1.31940484789756
Energy: 1.430996933848357
Energy: 1.3162002827387864
Energy: 1.2916068028046614
Energy: 1.3162002827645527
Energy: 1.5401678913378483
Energy: 1.4206623256274462
Energy: 1.4213852562231213
Energy: 1.4206623256318887
Energy: 1.5369516357633546
Energy: 1.42986213142522
Energy: 1.4144443241580102
Energy: 1.4298621314261086
Energy: 1.4256126412167531
Energy: 1.3421909735233337
Energy: 1.3495510631208367
Energy: 1.3421909735268878
Energy: 1.42539859524295
Energy: 1.3419216848638353
Energy: 1.3474575318668904
Energy: 1.3419216848585043
Energy: 1.3432250418094727
Energy: 1.4424194263893595
Energy: 1.3541829093755473
Energy: 1.442419426390248
Energy: 1.3639250916406116
Energy: 1.4424253814178447
Energy: 1.3516651011614202
Energy: 1.4424253814240642
Energy: 1.349479251078881
Energy: 1.3432382779984813
Energy: 1.4172120987735881
Energy: 1.3432382780038121
Energy: 1.3511172837902239
Energy: 1.3515601790214238
Energy: 1.4313131497856968
Energy: 1.3515601790258664
Energy: 1.3412553886564509
Energy: 1.4397927824891574
Energy: 1.4673852604029067
Energy: 1.4397927824838266
Energy: 1.4263642587246899
Energy: 1.5354870604286712
Energy: 1.5362631158802196
Energy: 1.5354870604268942
Energy: 1.3153997475544648
Energy: 1.3192242031491097
Energy: 1.428673794332549
Energy: 1.3192242031437786
Energy: 1.3146227098755905
Energy: 1.317760542425939
Energy: 1.3463372647215683
Energy: 1.317760542424162
Energy: 1.290289918944138
Energy: 1.294637538739038
Energy: 1.4194887024639127
Energy: 1.294637538735484
Energy: 1.3146693232777111
Energy: 1.3177155255560264
Energy: 1.4302028379078928
Energy: 1.3177155255560264
Energy: 1.3150845474071557
Energy: 1.318239396661706
Energy: 1.431583533164544
Energy: 1.3182393966537096
Energy: 1.4143659177225174
Energy: 1.535116519458762
Energy: 1.5366713743491764
Energy: 1.5351165194649405

minimum gb energy = 1.290289918944138 eV
minimum distance =  2.22089995142033 Angstroms
sigma value = 53


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

Energy: 1.8119006608618027
Energy: 1.415167344898193
Energy: 1.4168302891012754
Energy: 1.2053006109351154
Energy: 1.4201961469165982
Energy: 1.2851558661727172
Energy: 1.411283563442311
Energy: 1.2851558661727172
Energy: 1.4144440423992277
Energy: 1.4144809526219646
Energy: 1.432861900338738
Energy: 1.4144809526219646
Energy: 1.4171893107807516
Energy: 1.2867768323085431
Energy: 1.419194727142516
Energy: 1.286776832312634
Energy: 1.412152019428353
Energy: 1.2853282427986787
Energy: 1.1807743304434537
Energy: 1.2853282427986787
Energy: 1.4218795734473275
Energy: 1.288962496538774
Energy: 1.1824009327267135
Energy: 1.2889624965367288
Energy: 1.6301223808046836
Energy: 1.412435840167356
Energy: 1.4100565081893424
Energy: 1.412435840177537
Energy: 1.6360918736470045
Energy: 1.2880651447006242
Energy: 1.4194975072873066
Energy: 1.2880651447006242
Energy: 1.4137029376703705
Energy: 1.4136279636147782
Energy: 1.4340093543046044
Energy: 1.413627963620868
Energy: 1.4167411411454351
Energy: 1.289110430872519
Energy: 1.4127655823139305
Energy: 1.2891104308684282
Energy: 1.4221899880786797
Energy: 1.2907608583500376
Energy: 1.2102571352231668
Energy: 1.2907608583541281
Energy: 1.4200953137769559
Energy: 1.2847608986440602
Energy: 1.181943956636664
Energy: 1.2847608986399692
Energy: 1.6318802504787753
Energy: 1.2880192884055335
Energy: 1.4191636560124734
Energy: 1.2880192884178063

minimum gb energy = 1.1807743304434537 eV
minimum distance =  2.26207861069689 Angstroms
sigma value = 9


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

Energy: 1.7536232680059458
Energy: 1.5642886028339698
Energy: 1.5665631049669013
Energy: 1.4568567252253093
Energy: 1.2938387500955009
Energy: 1.2917703241977738
Energy: 1.5724640662707947
Energy: 1.2917703241811185
Energy: 1.3066977335846424
Energy: 1.297036451942638
Energy: 1.555860506900202
Energy: 1.297036451941881
Energy: 1.2950586122988128
Energy: 1.2961171766148005
Energy: 1.5831846911906533
Energy: 1.2961171766110153
Energy: 1.2938729502197666
Energy: 1.2920302310186869
Energy: 1.666220523045853
Energy: 1.2920302310239864
Energy: 1.2913754334039402
Energy: 1.2916956122738623
Energy: 1.6822524267030032
Energy: 1.2916956122746195
Energy: 1.5826779093409264
Energy: 1.5576760917863688
Energy: 1.5737165384543117
Energy: 1.5576760917939396
Energy: 1.5796439213007736
Energy: 1.4446652691319712
Energy: 1.5580455527934742
Energy: 1.4446652691334851
Energy: 1.3684670113143869
Energy: 1.4683855461448683
Energy: 1.3916011511867385
Energy: 1.4683855461425972
Energy: 1.2888217933175286
Energy: 1.4001948369696438
Energy: 1.559755448319206
Energy: 1.4001948369658583
Energy: 1.3681914208769854
Energy: 1.3684045548692316
Energy: 1.4418833278339294
Energy: 1.3684045548662032
Energy: 1.379210895704398
Energy: 1.3723142874577714
Energy: 1.667865264285969
Energy: 1.3723142874547432
Energy: 1.5812361734210008
Energy: 1.3683445701591963
Energy: 1.3864385717866505
Energy: 1.3683445701614676
Energy: 1.5840748798870363
Energy: 1.3700620913413848
Energy: 1.3681355385630944
Energy: 1.3700620913481985
Energy: 1.555642417456632
Energy: 1.3872481922619402
Energy: 1.3778270075287486
Energy: 1.3872481922649684
Energy: 1.4912389656238145
Energy: 1.4757635676586018
Energy: 1.3773994600113837
Energy: 1.475763567659359
Energy: 1.562878549959795
Energy: 1.4451084953327855
Energy: 1.3710849603436284
Energy: 1.445108495285091
Energy: 1.5641159164852971
Energy: 1.5622395684448478
Energy: 1.749827962718656
Energy: 1.5622395684425765
Energy: 1.5725433909659254
Energy: 1.292253364828104
Energy: 1.2905963359509134
Energy: 1.2922533648243186
Energy: 1.6270629293447578
Energy: 1.299777653835143
Energy: 1.3103630462899378
Energy: 1.299777653836657
Energy: 1.583075440838424
Energy: 1.2937810662754412
Energy: 1.2981319237200564
Energy: 1.2937810662708988
Energy: 1.66990405205339
Energy: 1.2915310994921945
Energy: 1.2916602125057743
Energy: 1.2915310994914375
Energy: 1.666488002197923
Energy: 1.2928205983181718
Energy: 1.2917920778390728
Energy: 1.2928205983257421
Energy: 1.5752095212365753
Energy: 1.5571646053058188
Energy: 1.5799165641350952
Energy: 1.5571646053027903
Energy: 1.5575682599006393
Energy: 1.5588706395442684
Energy: 1.5791749406413988
Energy: 1.5588706395533531
Energy: 1.3895147634341831
Energy: 1.4637938682031895
Energy: 1.3681139941364129
Energy: 1.4637938682047034
Energy: 1.5619792874105631
Energy: 1.3978605614291146
Energy: 1.2880322908061308
Energy: 1.3978605614230581
Energy: 1.477333623329886
Energy: 1.369197761883342
Energy: 1.367641112325031
Energy: 1.3691977618901554
Energy: 1.66960185798945
Energy: 1.379450237607592
Energy: 1.3780593668163235
Energy: 1.379450237618948
Energy: 1.38345898487629
Energy: 1.36870924263727
Energy: 1.5805707471466048
Energy: 1.3687092426319707
Energy: 1.371242248046375
Energy: 1.3699853692445199
Energy: 1.5546929013233406
Energy: 1.36998536923165
Energy: 1.376352099612759
Energy: 1.3682435567106361
Energy: 1.5599685406548465
Energy: 1.3682435567091222
Energy: 1.3782304736536346
Energy: 1.473536401480315
Energy: 1.4822673351324183
Energy: 1.4735364014750156
Energy: 1.3706776901211821
Energy: 1.295554241270446
Energy: 1.448398948826515
Energy: 1.2955542412749885
Energy: 1.6715640480411085
Energy: 1.5582467662821076
Energy: 1.56208810914284
Energy: 1.5582467662934634

minimum gb energy = 1.2880322908061308 eV
minimum distance =  2.22813021510318 Angstroms
sigma value = 73


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

Energy: 1.8519191071264611
Energy: 1.498870214331794
Energy: 1.497689571590477
Energy: 1.3718289474561212
Energy: 1.3203451990578867
Energy: 1.3188876750991974
Energy: 1.479884282829783
Energy: 1.3188876751015997
Energy: 1.325820702842015
Energy: 1.3212885843054956
Energy: 1.5331245130880982
Energy: 1.3212885843103002
Energy: 1.321268411804304
Energy: 1.3197877013172272
Energy: 1.6413238395356187
Energy: 1.3197877013148251
Energy: 1.3217903061198741
Energy: 1.3208542318971674
Energy: 1.6191816228584923
Energy: 1.3208542318947654
Energy: 1.3178192499255101
Energy: 1.3202642939783211
Energy: 1.6200340007078293
Energy: 1.3202642939759737
Energy: 1.4586122435210578
Energy: 1.5224916786811
Energy: 1.5450327900121885
Energy: 1.5224916786786977
Energy: 1.3816154963290683
Energy: 1.5235457024013197
Energy: 1.52295559900193
Energy: 1.523545702402521
Energy: 1.3726997678866968
Energy: 1.485727529450784
Energy: 1.5237444937260987
Energy: 1.485727529459192
Energy: 1.3838318247379917
Energy: 1.4695679900720586
Energy: 1.521996099911959
Energy: 1.4695679900732597
Energy: 1.371400761044814
Energy: 1.291600321918041
Energy: 1.2915003628656272
Energy: 1.2916003219192422
Energy: 1.3647978700279844
Energy: 1.293458328308431
Energy: 1.6136082553361528
Energy: 1.293458328306029
Energy: 1.5357610552180487
Energy: 1.40545413731721
Energy: 1.3603350558720906
Energy: 1.4054541373039977
Energy: 1.5334818801091805
Energy: 1.3754177981524944
Energy: 1.3682127393550931
Energy: 1.375417798156098
Energy: 1.5448430408124025
Energy: 1.3611470782294988
Energy: 1.3624457505456151
Energy: 1.3611470782294988
Energy: 1.5537105088917775
Energy: 1.3610154352340902
Energy: 1.3621348363298393
Energy: 1.3610154352340902
Energy: 1.626127113998267
Energy: 1.4754655657928692
Energy: 1.3681679952803958
Energy: 1.475465565791668
Energy: 1.4989569942865766
Energy: 1.496516464446848
Energy: 1.4563073247565879
Energy: 1.496516464446848
Energy: 1.4837629606841196
Energy: 1.4303776742141383
Energy: 1.454536398319978
Energy: 1.4303776742153393
Energy: 1.4999552856621357
Energy: 1.4271270361180748
Energy: 1.4800790690590666
Energy: 1.4271270361216781
Energy: 1.4830013044935657
Energy: 1.431263338625966
Energy: 1.3796318040810358
Energy: 1.431263338623564
Energy: 1.6232545637907734
Energy: 1.4772393205749075
Energy: 1.4792710131295732
Energy: 1.4772393205725054

minimum gb energy = 1.2915003628656272 eV
minimum distance =  2.20932367492151 Angstroms
sigma value = 7


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

Energy: 2.1196847845344444
Energy: 1.4855871334593371
Energy: 1.4850908862619494
Energy: 1.323357343722009
Energy: 1.315296058165802
Energy: 1.3112940145964662
Energy: 1.4585327607043392
Energy: 1.3112940145964662
Energy: 1.3102482171874816
Energy: 1.3093732136254506
Energy: 1.4496377139922378
Energy: 1.3093732136466838
Energy: 1.3076503863842153
Energy: 1.3089660300101096
Energy: 1.6010167424511907
Energy: 1.308966030008411
Energy: 1.3148117209431225
Energy: 1.314599290278092
Energy: 1.5677668530228979
Energy: 1.3145992902899828
Energy: 1.3091625343556665
Energy: 1.3164989334592962
Energy: 1.5673122456259205
Energy: 1.316498933460995
Energy: 1.6230395658802614
Energy: 1.3115778164004153
Energy: 1.3080105021578643
Energy: 1.3115778164038123
Energy: 1.4539710158384818
Energy: 1.31911225830865
Energy: 1.3178456846756437
Energy: 1.3191122583052528
Energy: 1.452147065178779
Energy: 1.307968243208267
Energy: 1.3072694026343115
Energy: 1.3079682431997737
Energy: 1.5820310016382855
Energy: 1.3132376871288274
Energy: 1.3120113027857878
Energy: 1.3132376871042744
Energy: 1.4598293871366024
Energy: 1.4607307382542092
Energy: 1.3053115918413096
Energy: 1.460730738245716
Energy: 1.4633837552917983
Energy: 1.4635910903710638
Energy: 1.5755212978052757
Energy: 1.4635910903625706
Energy: 1.4545984650539805
Energy: 1.4080317074371695
Energy: 1.463408741045374
Energy: 1.4080317074296027
Energy: 1.4504483632041287
Energy: 1.403187752384388
Energy: 1.323096007881754
Energy: 1.4031877523903333
Energy: 1.463866053797291
Energy: 1.4061875981667837
Energy: 1.32994771979681
Energy: 1.4061875981676333
Energy: 1.5783236010920103
Energy: 1.4633066583645955
Energy: 1.461982802266214
Energy: 1.4633066583637464
Energy: 1.3183068726718057
Energy: 1.4591326537426033
Energy: 1.4598027891688994
Energy: 1.4591326537358087
Energy: 1.3126184281611717
Energy: 1.3130843493400477
Energy: 1.4508515120838446
Energy: 1.3130843493374997
Energy: 1.3072996964708257
Energy: 1.3085162803935992
Energy: 1.46063991925713
Energy: 1.3085162803783112
Energy: 1.3171269869538524
Energy: 1.3183946417167611
Energy: 1.3219112716944552
Energy: 1.3183946417244052
Energy: 1.3078835947940208
Energy: 1.3115618026051417
Energy: 1.5706019341043962
Energy: 1.3115618026085392
Energy: 1.4548431172700185
Energy: 1.3168066504189573
Energy: 1.3087847168411537
Energy: 1.3168066504028197
Energy: 1.4561586638150756
Energy: 1.3145007946018814
Energy: 1.3129307562898713
Energy: 1.3145007946061278
Energy: 1.5998846219964173
Energy: 1.3087964749845604
Energy: 1.3077659469828224
Energy: 1.3087964749845604
Energy: 1.5785379797164747
Energy: 1.309704607478008
Energy: 1.3097994812848612
Energy: 1.3097046074839536
Energy: 1.5759018080967764
Energy: 1.310241433971922
Energy: 1.3153856292083559
Energy: 1.3102414339617297
Energy: 1.485238596449414
Energy: 1.4858975815812354
Energy: 1.8501801124799602
Energy: 1.485897581582085
Energy: 1.459169335332583
Energy: 1.4111150376380237
Energy: 1.3151578112000213
Energy: 1.4111150376218866
Energy: 1.4481997699717717
Energy: 1.4037107515277238
Energy: 1.453871344148663
Energy: 1.40371075152008
Energy: 1.4650091966217804
Energy: 1.4062776502599503
Energy: 1.322661697533842
Energy: 1.4062776502701422
Energy: 1.3201524626320356
Energy: 1.4626802763196178
Energy: 1.4646717526082726
Energy: 1.4626802763196178

minimum gb energy = 1.3053115918413096 eV
minimum distance =  2.20781273948067 Angstroms
sigma value = 29


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

Energy: 1.1950691555172375
Energy: 1.4303292239535594
Energy: 1.2213126792560705
Energy: 1.1973328022439105
Energy: 1.2277864988588456
Energy: 1.3458956467457948
Energy: 1.2416618861986808
Energy: 1.3458956467475367
Energy: 1.2211198968665826
Energy: 1.3102410054230134
Energy: 1.2037107068995563
Energy: 1.3102410054212714
Energy: 1.2002971062571566
Energy: 1.220570975773055
Energy: 1.2217389699978956
Energy: 1.2205709757704581
Energy: 1.2179634877119148
Energy: 1.2242594509231504
Energy: 1.2002616845931806
Energy: 1.2242594509251883
Energy: 1.2192954131289826
Energy: 1.315021799113377
Energy: 1.200659063674139
Energy: 1.31502179911364
Energy: 1.2040651647525502
Energy: 1.30666656352521
Energy: 1.222020869961382
Energy: 1.3066665635263603
Energy: 1.2382925978559458
Energy: 1.2274767231277621
Energy: 1.200651644727251
Energy: 1.2274767231292085
Energy: 1.2006291559484796
Energy: 1.2237059947732787
Energy: 1.2308538069255222
Energy: 1.2237059947834033

minimum gb energy = 1.1950691555172375 eV
minimum distance =  2.23474254976021 Angstroms
sigma value = 5


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

Energy: 1.7622395527470402
Energy: 1.421147589379142
Energy: 1.4248554496855586
Energy: 1.2226416243574374
Energy: 1.3552526221349865
Energy: 1.241969770024986
Energy: 1.4362617839955132
Energy: 1.2419697700169632
Energy: 1.4333105637220702
Energy: 1.351960214322301
Energy: 1.4398864332360788
Energy: 1.3519602143255103
Energy: 1.3528866772515051
Energy: 1.2382432523660227
Energy: 1.3917853673441007
Energy: 1.238243252380464
Energy: 1.4176584514048618
Energy: 1.238077030621927
Energy: 1.3590804671344476
Energy: 1.2380770306419844
Energy: 1.24008627324226
Energy: 1.2408146159634201
Energy: 1.3610867070181267
Energy: 1.2408146159626177
Energy: 1.2381725074021885
Energy: 1.2374337085832707
Energy: 1.3916891044556272
Energy: 1.237433708584073
Energy: 1.2405127864296464
Energy: 1.2440961979500633
Energy: 1.5324025438907543
Energy: 1.244096197946854
Energy: 1.3087067453124146
Energy: 1.3006654317501547
Energy: 1.5135099297299355
Energy: 1.3006654317485502
Energy: 1.5403497837387146
Energy: 1.2215185402520976
Energy: 1.2317806522083594
Energy: 1.221518540253702
Energy: 1.382647192398718
Energy: 1.2183329199245578
Energy: 1.2235569643829423
Energy: 1.2183329199189419
Energy: 1.5285093836649697
Energy: 1.220463439388271
Energy: 1.2171106075802165
Energy: 1.2204634393874687
Energy: 1.5273051111107887
Energy: 1.2178448476626282
Energy: 1.2309834183281887
Energy: 1.2178448476714534
Energy: 1.2795298408305966
Energy: 1.2045785071413586
Energy: 1.5242461106910627
Energy: 1.2045785071421609
Energy: 1.304659149039259
Energy: 1.2010647875018303
Energy: 1.5220931274418126
Energy: 1.2010647875082487
Energy: 1.3094546564558946
Energy: 1.2029369160576355
Energy: 1.2578293370446196
Energy: 1.2029369160496126
Energy: 1.2853021846904327
Energy: 1.2797608850856095
Energy: 1.2569041689481035
Energy: 1.2797608851055935
Energy: 1.48388565447136
Energy: 1.2068463532987874
Energy: 1.2577378876978647
Energy: 1.20684635329959
Energy: 1.5131972792651915
Energy: 1.3175530267724511
Energy: 1.2574510118724258
Energy: 1.317553026780474
Energy: 1.4659468713957284
Energy: 1.409940751156016
Energy: 1.3514407560730703
Energy: 1.4099407511568183
Energy: 1.3629424373130714
Energy: 1.2475068042781587
Energy: 1.2629139477331603
Energy: 1.2475068042773565
Energy: 1.3578484655645284
Energy: 1.2444175667125217
Energy: 1.2454330566980956
Energy: 1.2444175667093125
Energy: 1.5061037178566425
Energy: 1.2443839449306193
Energy: 1.246960969047289
Energy: 1.2443839449193874
Energy: 1.5287381119927304
Energy: 1.24837475863353
Energy: 1.2543358028075526
Energy: 1.2483747586423553
Energy: 1.5253049495106268
Energy: 1.215064495841336
Energy: 1.26910775629002
Energy: 1.2150644958421384
Energy: 1.2348893935290728
Energy: 1.2160575872821093
Energy: 1.5403125942222313
Energy: 1.2160575872797024
Energy: 1.2266582376647748
Energy: 1.2142600871018263
Energy: 1.2859223665529267
Energy: 1.2142600870962101
Energy: 1.223472610407771
Energy: 1.21603643334801
Energy: 1.2477966323319927
Energy: 1.2160364333351734
Energy: 1.2119966170561027
Energy: 1.285204773481986
Energy: 1.5312453930617171
Energy: 1.2852047734916137
Energy: 1.5220221974089603
Energy: 1.289028938909042
Energy: 1.2669869715367772
Energy: 1.2890289389130534
Energy: 1.5228700196825247
Energy: 1.2397188689719487
Energy: 1.2448601316347532
Energy: 1.2397188689695418
Energy: 1.4094688529705737
Energy: 1.2386684785580149
Energy: 1.2442135418222433
Energy: 1.2386684785523987
Energy: 1.2479270374182727
Energy: 1.2370512176221178
Energy: 1.237837443096447
Energy: 1.237051217625327

minimum gb energy = 1.2010647875018303 eV
minimum distance =  2.19565609063324 Angstroms
sigma value = 1


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

Energy: 1.9143318592849285
Energy: 1.2012835674093156
Energy: 1.416108752024904
Energy: 1.1806433647094476
Energy: 1.2152832402943101
Energy: 1.2029386538232556
Energy: 1.4283933319305246
Energy: 1.2029386538165998
Energy: 1.4479452620004192
Energy: 1.3439044926860517
Energy: 1.4333023740717823
Energy: 1.343904492687161
Energy: 1.3415826867335543
Energy: 1.3428546647656812
Energy: 1.4108157043870617
Energy: 1.3428546647667905
Energy: 1.2089925296452548
Energy: 1.207283785116453
Energy: 1.3490224641990363
Energy: 1.2072837851131253
Energy: 1.20730456853552
Energy: 1.2081398561219725
Energy: 1.3455990061728331
Energy: 1.2081398561208636
Energy: 1.2073989836147667
Energy: 1.2071859179273434
Energy: 1.4115835459719752
Energy: 1.2071859179284523
Energy: 1.2089864070056981
Energy: 1.2126831115539212
Energy: 1.4909615785630281
Energy: 1.212683111552812
Energy: 1.2336742450466094
Energy: 1.294656971301826
Energy: 1.4912361444329894
Energy: 1.2946569712984983
Energy: 1.6035067036899058
Energy: 1.1512854490915463
Energy: 1.2673486384802273
Energy: 1.1512854490926556
Energy: 1.2078156956984365
Energy: 1.1521449540712703
Energy: 1.2870768024916086
Energy: 1.1521449540690516
Energy: 1.5681674804454004
Energy: 1.149321763731948
Energy: 1.2556382937332928
Energy: 1.1493217637341666
Energy: 1.5627652778808045
Energy: 1.1503943598739401
Energy: 1.2606755029288017
Energy: 1.150394359875049
Energy: 1.2103471540311357
Energy: 1.1483774553125028
Energy: 1.4688488382255782
Energy: 1.1483774553125028
Energy: 1.342106288106761
Energy: 1.2905028718293399
Energy: 1.4678876279595645
Energy: 1.290502871822684
Energy: 1.3467936549557933
Energy: 1.209624632278235
Energy: 1.2046698946838645
Energy: 1.209624632278235
Energy: 1.2223093998049892
Energy: 1.2088945470912662
Energy: 1.3479634476906215
Energy: 1.2088945470945436
Energy: 1.2202816056246908
Energy: 1.2129353835559862
Energy: 1.3525723428462981
Energy: 1.2129353835493304
Energy: 1.2165689085725462
Energy: 1.2083658933291848
Energy: 1.4908458320694404
Energy: 1.208365893330294
Energy: 1.2248538727835678
Energy: 1.335742398670394
Energy: 1.4908783377326769
Energy: 1.335742398665957
Energy: 1.5251893344361274
Energy: 1.2828173193894112
Energy: 1.4087176834012851
Energy: 1.2828173193905206
Energy: 1.5269114070708687
Energy: 1.2020039300349838
Energy: 1.2027982085017512
Energy: 1.202003930031656
Energy: 1.2096407439557697
Energy: 1.1999711312543948
Energy: 1.2008541930824919
Energy: 1.199971131258832
Energy: 1.48670667054529
Energy: 1.200134521018296
Energy: 1.2006518731426885
Energy: 1.2001345210127494

minimum gb energy = 1.1483774553125028 eV
minimum distance =  2.20287414125314 Angstroms
sigma value = 17


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

Energy: 1.8523703008168972
Energy: 1.1810554335733705
Energy: 1.404243603739768
Energy: 1.1558354616429143
Energy: 1.1987235692752873
Energy: 1.1785273607396274
Energy: 1.3231338348967585
Energy: 1.1785273607478548
Energy: 1.4314431115495154
Energy: 1.1747796154322834
Energy: 1.3510643424353561
Energy: 1.1747796154398253
Energy: 1.5032839217778968
Energy: 1.2526159411967221
Energy: 1.3093787430564148
Energy: 1.2526159411967221
Energy: 1.2922302079612005
Energy: 1.156712639682529
Energy: 1.5347931781521764
Energy: 1.1567126396722442
Energy: 1.1578985120070822
Energy: 1.1562789105410873
Energy: 1.5509828687857696
Energy: 1.1562789105404019
Energy: 1.1577061374896693
Energy: 1.155545309056494
Energy: 1.310338168603389
Energy: 1.1555453090551226
Energy: 1.1709406019822401
Energy: 1.1595856466909402
Energy: 1.543441789864152
Energy: 1.1595856467067098
Energy: 1.5421979802711778
Energy: 1.1615695532111843
Energy: 1.4295705101791256
Energy: 1.1615695532146124
Energy: 1.3506292105469355
Energy: 1.2535357541709469
Energy: 1.3241364436131131
Energy: 1.2535357541771177
Energy: 1.4872218300606357
Energy: 1.1751821348231042
Energy: 1.1908002301908553
Energy: 1.1751821348169338
Energy: 1.5451863703265456
Energy: 1.1860589032178086
Energy: 1.3113750791461716
Energy: 1.1860589032157514
Energy: 1.5491718720623042
Energy: 1.1760318403917274
Energy: 1.1768290057838666
Energy: 1.1760318403937844
Energy: 1.177384045803713
Energy: 1.1751466210069463
Energy: 1.1787403648508488
Energy: 1.1751466210117458
Energy: 1.4974630738567836
Energy: 1.1787897049027147
Energy: 1.1836065995280127
Energy: 1.1787897048972298
Energy: 1.6654281093161492
Energy: 1.2264120197102173
Energy: 1.1810099565033352
Energy: 1.226412019704047
Energy: 1.1754627638407182
Energy: 1.1840124032975639
Energy: 1.5901015999488095
Energy: 1.1840124032927644
Energy: 1.1754864841562647
Energy: 1.1763681998561657
Energy: 1.5410392297805013
Energy: 1.1763681998534232
Energy: 1.207395272097439
Energy: 1.1791610024619403
Energy: 1.4258831504851222
Energy: 1.1791610024612547
Energy: 1.1778189446607905
Energy: 1.310099884620181
Energy: 1.6482420203106831
Energy: 1.310099884610582
Energy: 1.3568955417179867
Energy: 1.1778809919554207
Energy: 1.2068668254526962
Energy: 1.1778809919533637
Energy: 1.352555912983999
Energy: 1.1818061775560516
Energy: 1.499170394328517
Energy: 1.181806177562222
Energy: 1.3099721654287706
Energy: 1.2496438357347035
Energy: 1.4995859578823127
Energy: 1.2496438357381316
Energy: 1.5849729910952
Energy: 1.1578436187481191
Energy: 1.2907764866310638
Energy: 1.1578436187426344
Energy: 1.5448152307911054
Energy: 1.1557406232682803
Energy: 1.1559666662051093
Energy: 1.1557406232778795
Energy: 1.353092593517303
Energy: 1.1567306574029077
Energy: 1.1616784959929232
Energy: 1.1567306574063358
Energy: 1.6410880079794374
Energy: 1.160172074014422
Energy: 1.1644628609411303
Energy: 1.1601720740212784
Energy: 1.4246720747449517
Energy: 1.1589805620096278
Energy: 1.5417421454645657
Energy: 1.1589805620144276
Energy: 1.3236982208837162
Energy: 1.2556947704247166
Energy: 1.3496343306239875
Energy: 1.2556947704288304
Energy: 1.1926846727815863
Energy: 1.1746752303190713
Energy: 1.4875331175711293
Energy: 1.174675230306044
Energy: 1.3095932251524849
Energy: 1.1755317721260472
Energy: 1.5508318995228838
Energy: 1.175531772118505
Energy: 1.1755425945921711
Energy: 1.176424023609497
Energy: 1.5510921673740719
Energy: 1.1764240236142962
Energy: 1.1751205622127259
Energy: 1.1743329948945667
Energy: 1.3730728494674829
Energy: 1.1743329948979948
Energy: 1.1892074653619984
Energy: 1.1786257991712525
Energy: 1.5009423800075203
Energy: 1.1786257991774234
Energy: 1.4901499619468799
Energy: 1.2247124350352925
Energy: 1.5475254563989893
Energy: 1.224712435035978
Energy: 1.6810333131999258
Energy: 1.1819727128609572
Energy: 1.1874287069805072
Energy: 1.1819727128678135
Energy: 1.4905603802641039
Energy: 1.1750201524024793
Energy: 1.1777216874426735
Energy: 1.1750201524093358
Energy: 1.4304469664654265
Energy: 1.183644146247061
Energy: 1.1772369145984671
Energy: 1.1836441462635166

minimum gb energy = 1.1555453090551226 eV
minimum distance =  2.2159401587804 Angstroms
sigma value = 89


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

Energy: 1.9458778449068632
Energy: 1.0814570548034006
Energy: 1.0820989360521187
Energy: 1.1333146959919054
Energy: 1.082926628161156
Energy: 1.2021758488943777
Energy: 1.0811354711109125
Energy: 1.2021758488943777
Energy: 1.0700291061094584
Energy: 1.2027909215291024
Energy: 1.113991816207267
Energy: 1.2027909215326904
Energy: 1.0730117983392287
Energy: 1.2044334328971376
Energy: 1.0804395633369346
Energy: 1.2044334328989315
Energy: 1.0800299220838212
Energy: 1.0804154683700349
Energy: 1.1045220011680654
Energy: 1.0804154683718288
Energy: 1.0794886127206478
Energy: 1.0791636994375207
Energy: 1.1044932406668273
Energy: 1.0791636994321387
Energy: 1.0779656203676238
Energy: 1.0773482032750672
Energy: 1.0822728824025558
Energy: 1.0773482032696853
Energy: 1.0801613107228576
Energy: 1.0823793165237856
Energy: 1.0814335339522618
Energy: 1.0823793165219917
Energy: 1.0808701376647838
Energy: 1.0826208668050328
Energy: 1.0803297213885745
Energy: 1.0826208668068267
Energy: 1.1154457650165914
Energy: 1.2062760762532143
Energy: 1.1129193135149198
Energy: 1.2062760762532143
Energy: 1.0823181343139592
Energy: 1.2032462010131304
Energy: 1.0686233678932646
Energy: 1.2032462010113365
Energy: 1.1046437278534125
Energy: 1.079354950771855
Energy: 1.0822681822275584
Energy: 1.079354950771855
Energy: 1.1047145368956863
Energy: 1.0822263946105841
Energy: 1.0794730214052963
Energy: 1.0822263946087902
Energy: 1.0814293100140622
Energy: 1.0767910146079538
Energy: 1.076975941375949
Energy: 1.0767910146079538
Energy: 1.0693855338258396
Energy: 1.0810489884964092
Energy: 1.0827065378326353
Energy: 1.0810489884964092

minimum gb energy = 1.0686233678932646 eV
minimum distance =  2.23405233119483 Angstroms
sigma value = 13


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

Energy: 1.7362901858390738
Energy: 1.0464286722088032
Energy: 1.329747473190493
Energy: 1.0414058201315444
Energy: 1.4762649650866422
Energy: 1.0428060177948915
Energy: 1.2352946079631655
Energy: 1.0428060177956433
Energy: 1.620212307558864
Energy: 1.0422563718922044
Energy: 1.21429720661193
Energy: 1.0422563718628794
Energy: 1.3704502354422101
Energy: 1.0458979397051904
Energy: 1.1971865995789928
Energy: 1.045897939636082
Energy: 1.2038685741595403
Energy: 1.0435639818773919
Energy: 1.501704990393747
Energy: 1.043563981869121
Energy: 1.2165874364242182
Energy: 1.0442408045341964
Energy: 1.5008806773459185
Energy: 1.0442408045423992
Energy: 1.2129108625930427
Energy: 1.0426230150134272
Energy: 1.1922758914044103
Energy: 1.0426230150036522
Energy: 1.196698376716343
Energy: 1.0414156973227284
Energy: 1.4747983494433228
Energy: 1.0414156973024267
Energy: 1.0410830886525109
Energy: 1.0480271822519838
Energy: 1.4939002304066846
Energy: 1.0480271822579992
Energy: 1.0415303081446994
Energy: 1.0422668000202988
Energy: 1.198020835177105
Energy: 1.0422668000270658
Energy: 1.0449502600849607
Energy: 1.0520440669654005
Energy: 1.7364489416811961
Energy: 1.0520440669669042
Energy: 1.4835544445351112
Energy: 1.042371674386816
Energy: 1.1978864371667364
Energy: 1.0423716744221563
Energy: 1.5036918173891967
Energy: 1.1159123348889963
Energy: 1.4771553378359608
Energy: 1.1159123348889963
Energy: 1.196476994180293
Energy: 1.1198537059525322
Energy: 1.3722011354014387
Energy: 1.1198537059668185
Energy: 1.477370369935537
Energy: 1.0451461207981756
Energy: 1.1973640635192808
Energy: 1.045146120785393
Energy: 1.4771806555770266
Energy: 1.0443528126044275
Energy: 1.0473436436965624
Energy: 1.0443528126194659
Energy: 1.4082861686634025
Energy: 1.0422476445007294
Energy: 1.047471672881991
Energy: 1.0422476445165199
Energy: 1.6113995085835309
Energy: 1.0453790404153522
Energy: 1.0526098065671678
Energy: 1.0453790404552044
Energy: 1.3309190747524056
Energy: 1.0451890591767758
Energy: 1.1906415116400713
Energy: 1.0451890591677528
Energy: 1.4877359343852452
Energy: 1.0409720083573708
Energy: 1.2099841243532194
Energy: 1.0409720083543632
Energy: 1.3697782727392864
Energy: 1.0482273401168354
Energy: 1.1918096399860583
Energy: 1.0482273401220987
Energy: 1.1973186200849109
Energy: 1.1262623108167287
Energy: 1.5032120192999754
Energy: 1.126262310807022
Energy: 1.2011824055495803
Energy: 1.0443451618529431
Energy: 1.5027104187521143
Energy: 1.044345161870169
Energy: 1.046507569816644
Energy: 1.0407295605386533
Energy: 1.1964465206564068
Energy: 1.0407295605716698
Energy: 1.1939229679357917
Energy: 1.0441097830997563
Energy: 1.4756076508240277
Energy: 1.044109783102764
Energy: 1.044448009398734
Energy: 1.041734444353091
Energy: 1.4762539071093714
Energy: 1.0417344443463237
Energy: 1.0419975104584551
Energy: 1.0406803843332448
Energy: 1.4134422826309752
Energy: 1.040680384322718
Energy: 1.066142583776864
Energy: 1.0479633634958003
Energy: 1.6119414715622329
Energy: 1.0479633634920407
Energy: 1.4778551362922305
Energy: 1.0437568651983504
Energy: 1.3301264986772683
Energy: 1.0437568651848157
Energy: 1.2079494624334668
Energy: 1.1205447571528377
Energy: 1.190918241495055
Energy: 1.1205447571498302
Energy: 1.4767102402449408
Energy: 1.1293013533482257
Energy: 1.3700505952673507
Energy: 1.129301353345218
Energy: 1.4771465659150986
Energy: 1.0438145717745622
Energy: 1.1894879534684386
Energy: 1.0438145717963678
Energy: 1.4759011180647583
Energy: 1.0449708897333592
Energy: 1.0691751602962294
Energy: 1.0449708897431342
Energy: 1.409270513574026
Energy: 1.0405537323878986
Energy: 1.0426243342639607
Energy: 1.0405537324014331
Energy: 1.3299649312884512
Energy: 1.042433412413065
Energy: 1.0491134659394434
Energy: 1.0424334124123131

minimum gb energy = 1.0405537323878986 eV
minimum distance =  2.22175852503765 Angstroms
sigma value = 37


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

Energy: 1.7085984889902597
Energy: 0.9853076114879289
Energy: 0.9853549058001018
Energy: 0.9773030315675995
Energy: 1.4879325233119634
Energy: 0.9858181458797557
Energy: 1.2613476656453548
Energy: 0.9858181458758748
Energy: 1.509848348583645
Energy: 0.9840904393307854
Energy: 1.253246946696894
Energy: 0.9840904393411346
Energy: 1.5083655046345354
Energy: 1.2234801927965224
Energy: 1.227872578323323
Energy: 1.2234801927887606
Energy: 1.480205845270983
Energy: 1.1150928141461154
Energy: 1.364372670647698
Energy: 1.1150928141499963
Energy: 1.2272968842053733
Energy: 0.9694988637307267
Energy: 1.5084362569663488
Energy: 0.9694988637216712
Energy: 1.103324822605365
Energy: 0.9689370178161112
Energy: 1.4732507561938704
Energy: 0.9689370178186985
Energy: 1.2175278689284412
Energy: 0.9561356939665184
Energy: 1.576468501839522
Energy: 0.9561356939626374
Energy: 1.0916966788392413
Energy: 0.9627394500662035
Energy: 1.3439800918297273
Energy: 0.9627394500713486
Energy: 1.0923368558532935
Energy: 0.9529376497748896
Energy: 1.4704060213865824
Energy: 0.9529376497800641
Energy: 1.1718138850603854
Energy: 1.1715648213840384
Energy: 1.520465112856478
Energy: 1.1715648213788636
Energy: 1.3546274789807937
Energy: 0.9525593996354795
Energy: 1.4705108632220658
Energy: 0.9525593996380669
Energy: 1.3521988458865841
Energy: 0.9519041267118991
Energy: 1.5092065667672154
Energy: 0.9519041267054307
Energy: 1.4805296269823716
Energy: 1.08460635862684
Energy: 1.3655190378795279
Energy: 1.0846063586216652
Energy: 1.3643726706502854
Energy: 1.1007974230741406
Energy: 1.4730747483244988
Energy: 1.100797423065085
Energy: 1.4810223067833874
Energy: 1.099985478428143
Energy: 1.2509731135815225
Energy: 1.0999854784268495
Energy: 1.481324822400038
Energy: 0.98376163561445
Energy: 1.1033240139508191
Energy: 0.9837616356170079
Energy: 1.5764685018421092
Energy: 1.1014535875439868
Energy: 0.9524935789571137
Energy: 1.1014535875504259
Energy: 1.343980091838783
Energy: 0.9892792428930743
Energy: 0.9848441653195094
Energy: 0.9892792428904871
Energy: 1.479606373430575
Energy: 0.9860382116406718
Energy: 0.9992295474999032
Energy: 0.9860382116367908

minimum gb energy = 0.9519041267054307 eV
minimum distance =  2.22155777700097 Angstroms
sigma value = 25


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

Energy: 1.8381686392576735
Energy: 0.8658940532642156
Energy: 1.196664732055165
Energy: 0.8768344146479514
Energy: 1.6401777776033926
Energy: 0.8639513472529216
Energy: 1.0757893019543319
Energy: 0.8639513472589827
Energy: 1.6336052696258276
Energy: 0.8626634409391019
Energy: 1.0803468952588495
Energy: 0.8626634409461731
Energy: 1.2901275602989792
Energy: 0.868797914849762
Energy: 1.075642035564358
Energy: 0.8687979148366297
Energy: 1.3103231556289985
Energy: 0.9670902471458189
Energy: 1.4724722961746295
Energy: 0.9670902471336967
Energy: 1.2892353336693945
Energy: 0.965788340832123
Energy: 1.4645765642995148
Energy: 0.9657883408351534
Energy: 1.2911891680507663
Energy: 0.9674779749425692
Energy: 1.4631800007013118
Energy: 0.9674779749405488
Energy: 1.307698772685534
Energy: 0.8691821614251356
Energy: 1.4639481880238927
Energy: 0.8691821614210947
Energy: 1.0803953117508596
Energy: 0.862373074803428
Energy: 1.6363717998099987
Energy: 0.862373074803428
Energy: 1.083558982006895
Energy: 0.8637738640534349
Energy: 1.4648154058119656
Energy: 0.8637738640504043
Energy: 0.8639839686378676
Energy: 0.8695267503376441
Energy: 1.5635019235827976
Energy: 0.8695267503366341
Energy: 0.8691199152216427
Energy: 0.8635535283081397
Energy: 1.4671145185556707
Energy: 0.8635535283061194
Energy: 0.865480373241836
Energy: 0.8670864646511134
Energy: 1.6271118669103901
Energy: 0.8670864646490931
Energy: 1.0758009168140499
Energy: 0.8720458680672507
Energy: 1.6248320794224342
Energy: 0.8720458680642201
Energy: 1.0793921506930102
Energy: 0.8621887009276504
Energy: 1.6356027344670403
Energy: 0.8621887009236096
Energy: 1.083851981517149
Energy: 0.8643245667065657
Energy: 1.6370985044029662
Energy: 0.8643245667116166
Energy: 1.3106146981483389
Energy: 0.8651742638102291
Energy: 1.628737211900926
Energy: 0.8651742638243715
Energy: 1.0777854080430231
Energy: 0.9720398889545875
Energy: 1.4625010899783815
Energy: 0.9720398889646434
Energy: 1.4614504361663294
Energy: 0.9671665006404981
Energy: 1.2902840612470714
Energy: 0.9671665006404981
Energy: 1.6386680478102278
Energy: 0.9667660446154445
Energy: 1.2896818659609155
Energy: 0.9667660446144342
Energy: 1.564542398129973
Energy: 0.8671257604196836
Energy: 1.0754568304286387
Energy: 0.8671257604257446
Energy: 1.6397197059242157
Energy: 0.8614535847628915
Energy: 0.8637587687216147
Energy: 0.8614535847588509
Energy: 1.6305000790484918
Energy: 0.8665235443099497
Energy: 1.075953945171936
Energy: 0.8665235443109598
Energy: 1.4700938743613967
Energy: 0.8666333399092525
Energy: 0.8641682128727477
Energy: 0.8666333399072321
Energy: 1.6380299223650716
Energy: 0.8620667565743823
Energy: 0.8631591585127584
Energy: 0.8620667565723619
Energy: 1.6252273122397471
Energy: 0.8649044645524948
Energy: 0.8715000073579066
Energy: 0.8649044645504744

minimum gb energy = 0.8614535847588509 eV
minimum distance =  2.23184314567856 Angstroms
sigma value = 41


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

Energy: 2.0368935497602063
Energy: 0.7931322311041711
Energy: 1.1429313599666986
Energy: 0.8079185178265987
Energy: 1.5952495676705838
Energy: 0.7909043728032537
Energy: 0.9668789124744231
Energy: 0.7909043727974563
Energy: 1.7394829724457217
Energy: 0.7897142571652497
Energy: 0.9735772692760919
Energy: 0.7897142571619369
Energy: 1.4501224517064102
Energy: 0.792574808239061
Energy: 1.1704061021231358
Energy: 0.7925748082324355
Energy: 1.461598015551682
Energy: 0.7870221061218815
Energy: 1.304948664720142
Energy: 0.7870221061276786
Energy: 1.4524076751671982
Energy: 0.7889861188431906
Energy: 1.3018759195417764
Energy: 0.7889861188142044
Energy: 1.4585610027461537
Energy: 0.8777511663638301
Energy: 1.4631416028900117
Energy: 0.8777511663646583
Energy: 1.301711102748947
Energy: 0.8802271116828757
Energy: 1.3015751991392932
Energy: 0.8802271117051611
Energy: 1.1443566415357884
Energy: 0.7890011060026721
Energy: 1.5957969571539208
Energy: 0.7890011060399402
Energy: 1.1462091296925125
Energy: 0.7875150431886343
Energy: 1.5949462977393383
Energy: 0.7875150432027135
Energy: 0.9675690628446263
Energy: 0.7952394084969235
Energy: 1.5916089781800369
Energy: 0.7952394084902982
Energy: 0.9661664199189512
Energy: 0.7883884183339334
Energy: 1.7425615888122576
Energy: 0.7883884183322771
Energy: 0.9697281033075098
Energy: 0.7917725621339142
Energy: 1.74548277441416
Energy: 0.7917725621363988
Energy: 0.7895837646722667
Energy: 0.7937227011202322
Energy: 1.5909012461871113
Energy: 0.793722701109466
Energy: 0.7919979259162971
Energy: 0.7895632274604458
Energy: 1.737066013948793
Energy: 0.7895632274587895
Energy: 0.7977697311964232
Energy: 0.7912848885984421
Energy: 1.7412306704232545
Energy: 0.7912848885951294
Energy: 0.9791610759140393
Energy: 0.7945151905881684
Energy: 1.7291493407580998
Energy: 0.7945151906063883
Energy: 0.9625403301166291
Energy: 0.7872542919879583
Energy: 1.7368801732071795
Energy: 0.787254291990443
Energy: 0.9707402346933952
Energy: 0.7928143297724797
Energy: 1.45787886012057
Energy: 0.7928143297733078
Energy: 1.3045608348046316
Energy: 0.7909939757857193
Energy: 1.453748121397295
Energy: 0.7909939757840629
Energy: 1.3080668639832165
Energy: 0.7884893176163269
Energy: 1.5942233271244735
Energy: 0.7884893176163269
Energy: 1.305931280765067
Energy: 0.8747860720253057
Energy: 1.4630279384122955
Energy: 0.874786072031931
Energy: 1.5968639744023287
Energy: 0.8735379876772528
Energy: 1.450367845702867
Energy: 0.8735379876813935
Energy: 1.3016325987062893
Energy: 0.8760601337157271
Energy: 1.303484570794981
Energy: 0.8760601336917099
Energy: 1.5959731735722538
Energy: 0.7885119489608544
Energy: 1.1333911269953998
Energy: 0.7885119489616825
Energy: 1.5964421271028286
Energy: 0.7901558886924324
Energy: 1.3003437080625626
Energy: 0.7901558886899479
Energy: 1.603865622314853
Energy: 0.7933569142605926
Energy: 0.9707081273403767
Energy: 0.7933569142572799
Energy: 1.7374024428475032
Energy: 0.7879918447385469
Energy: 0.9615085325504881
Energy: 0.7879918447261244
Energy: 1.6019373934793821
Energy: 0.793711463615629
Energy: 0.9778820651793259
Energy: 0.7937114636164573
Energy: 1.5978194439695836
Energy: 0.7918732285721294
Energy: 0.7926102410478575
Energy: 0.7918732285679885
Energy: 1.7367417705891544
Energy: 0.7889174209830674
Energy: 0.7910814072070423
Energy: 0.7889174209863802
Energy: 1.728102903588029
Energy: 0.7921154818421525
Energy: 0.79047841315264
Energy: 0.7921154817378774

minimum gb energy = 0.7870221061218815 eV
minimum distance =  2.23122899642106 Angstroms
sigma value = 15


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

Energy: 1.8687954877736268
Energy: 0.7448588033505373
Energy: 1.1084099792995508
Energy: 0.7574666092677169
Energy: 1.6884399050640273
Energy: 0.7371395200689737
Energy: 0.8930039316302751
Energy: 0.7371395200844084
Energy: 1.7498318797379357
Energy: 0.7365226410706798
Energy: 0.8924148867972252
Energy: 0.7365226410769941
Energy: 1.6220798481291439
Energy: 0.7448172016120649
Energy: 1.1923366842811152
Energy: 0.744817201616976
Energy: 1.5745289568245993
Energy: 0.7343064856502742
Energy: 1.174770545582349
Energy: 0.7343064856320332
Energy: 1.630940963263476
Energy: 0.7342193133782327
Energy: 1.1768019606155509
Energy: 0.7342193133474267
Energy: 1.3767272178428132
Energy: 0.7350240613753757
Energy: 1.4433523953521414
Energy: 0.735024061371166
Energy: 1.453467514666046
Energy: 0.8147110924866072
Energy: 1.246735687331615
Energy: 0.8147110925013404
Energy: 1.374813854156822
Energy: 0.8080108909622411
Energy: 1.4371872553986147
Energy: 0.8080108909699585
Energy: 1.3718456083728765
Energy: 0.7356089681374887
Energy: 1.6858579772904019
Energy: 0.7356089681248601
Energy: 1.1884358996561966
Energy: 0.7359497143848739
Energy: 1.4974320557337528
Energy: 0.7359497143820676
Energy: 1.1007936028233936
Energy: 0.7324629761353212
Energy: 1.685666967583077
Energy: 0.7324629761605144
Energy: 1.174797998136416
Energy: 0.7334498696195734
Energy: 1.7514363532021728
Energy: 0.7334498696090497
Energy: 0.8931253778115038
Energy: 0.7322169115056939
Energy: 1.511938908671329
Energy: 0.7322169114776306
Energy: 0.8846955408087005
Energy: 0.7329856150142672
Energy: 1.6840645574616915
Energy: 0.732985615021283
Energy: 0.8854194741321366
Energy: 0.732314027049417
Energy: 1.753097100333621
Energy: 0.7323140270332806
Energy: 0.8229732130062145
Energy: 0.7342726898339663
Energy: 1.760710106140274
Energy: 0.7342726898767629
Energy: 0.8030609642142115
Energy: 0.7329179930993294
Energy: 1.8038111107084989
Energy: 0.7329179931007327
Energy: 0.8130649414525413
Energy: 0.7358068434523781
Energy: 1.570727963904792
Energy: 0.7358068434411529
Energy: 0.9724293636102457
Energy: 0.7339172592018647
Energy: 1.817000731581728
Energy: 0.7339172591955504
Energy: 0.9481760050726938
Energy: 0.7316169308001494
Energy: 1.803194345509795
Energy: 0.7316169307924321
Energy: 0.9742779861732347
Energy: 0.7357960318186532
Energy: 1.6383853655273697
Energy: 0.7357960318284753
Energy: 1.1656279368217093
Energy: 0.7303701010562785
Energy: 1.6258292508005008
Energy: 0.7303701010583833
Energy: 1.1770231031702116
Energy: 0.7332923592026863
Energy: 1.5606392480973457
Energy: 0.7332923592054925
Energy: 1.1758590191612395
Energy: 0.7325223414941738
Energy: 1.3851744199654081
Energy: 0.7325223414899643
Energy: 1.4397282017047162
Energy: 0.8064945307452183
Energy: 1.5594900571765204
Energy: 0.8064945306554155
Energy: 1.241745757398257
Energy: 0.8076664816161548
Energy: 1.4358734762695426
Energy: 0.8076664815901962
Energy: 1.4473963152737532
Energy: 0.8132610455631925
Energy: 1.3863438955719944
Energy: 0.8132610455351291
Energy: 1.5080468003972283
Energy: 0.8139225030076098
Energy: 1.3969669604823913
Energy: 0.8139225030195368
Energy: 1.502252151685959
Energy: 0.7347075598000844
Energy: 1.1754754384113673
Energy: 0.7347075598000844
Energy: 1.7008357857091654
Energy: 0.7341062943024307
Energy: 1.1008109953909184
Energy: 0.734106294286358
Energy: 1.5107069824533184
Energy: 0.7420805997380037
Energy: 1.1889498073014226
Energy: 0.7420805997351974
Energy: 1.7527945189634133
Energy: 0.7370244458678403
Energy: 0.8944473470778129
Energy: 0.7370244458734528
Energy: 1.6902400065804373
Energy: 0.7361273863672677
Energy: 0.8914201517612721
Energy: 0.7361273863868483
Energy: 1.742325858687467
Energy: 0.8197494607557787
Energy: 0.7615520231254108
Energy: 0.8197494607592867
Energy: 1.6262874545894728
Energy: 0.7368439400591701
Energy: 0.7430988680223737
Energy: 0.7368439400675891
Energy: 1.8108509274946385
Energy: 0.7374818313781379
Energy: 0.745598085985876
Energy: 0.7374818313774362

minimum gb energy = 0.7303701010562785 eV
minimum distance =  2.23180303470265 Angstroms
sigma value = 85


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

Energy: 1.8957434354524028
Energy: 0.6633521995218659
Energy: 0.6628436749809641
Energy: 0.7003799620983107
Energy: 1.7343814672456939
Energy: 0.6633433712100851
Energy: 0.793249359057465
Energy: 0.6633433712076512
Energy: 1.6270167915349425
Energy: 0.6627952286939465
Energy: 0.7894857691503918
Energy: 0.6627952286890788
Energy: 1.3954408613078015
Energy: 0.665903150997682
Energy: 1.0518950523693937
Energy: 0.6659031509958567
Energy: 1.6345592365048986
Energy: 0.6606160742438851
Energy: 1.0500545921871713
Energy: 0.660616074226239
Energy: 1.3988286798450162
Energy: 0.6614811514452968
Energy: 1.0547464299914304
Energy: 0.6614811514623344
Energy: 1.3969663158445862
Energy: 0.6620178243425899
Energy: 1.2866303791891642
Energy: 0.6620178243456322
Energy: 1.5155474478869622
Energy: 0.660575575518106
Energy: 1.0436253389920416
Energy: 0.6605755754937943
Energy: 1.4046052763430323
Energy: 0.6622830670559119
Energy: 1.2878365371929605
Energy: 0.6622830670619968
Energy: 1.4032121151841688
Energy: 0.785694688432497
Energy: 1.513857704265134
Energy: 0.7856946884245868
Energy: 1.286797425618298
Energy: 0.785042020959037
Energy: 1.284511319751369
Energy: 0.7850420209730321
Energy: 1.1732213071672868
Energy: 0.6605179737917688
Energy: 1.5147827317930853
Energy: 0.6605179738099958
Energy: 1.285346988162494
Energy: 0.6606631369213777
Energy: 1.51391528011013
Energy: 0.6606631369068017
Energy: 1.0516283500166952
Energy: 0.6625380188384656
Energy: 1.2821500969729247
Energy: 0.6625380188494184
Energy: 0.9118148550359667
Energy: 0.6605544433659604
Energy: 1.7332951371087626
Energy: 0.6605544433604839
Energy: 1.051777791685903
Energy: 0.6637283512125206
Energy: 1.514670210753573
Energy: 0.6637283512350345
Energy: 0.7987051493866987
Energy: 0.6662636292338558
Energy: 1.5110217375027675
Energy: 0.6662636292375067
Energy: 0.7870773098534071
Energy: 0.660934118125662
Energy: 1.7373708726585222
Energy: 0.6609341181244451
Energy: 0.7957792493968526
Energy: 0.6611183312859059
Energy: 1.729721895430604
Energy: 0.6611183312846891
Energy: 0.6629276084091174
Energy: 0.6613129479087955
Energy: 1.7293624166270527
Energy: 0.6613129479130548
Energy: 0.6621336569597549
Energy: 0.6613478485420119
Energy: 1.8421102457471685
Energy: 0.6613478485420119
Energy: 0.66068911028999
Energy: 0.6618030687739137
Energy: 1.6219319798033842
Energy: 0.6618030687726968
Energy: 0.8034785035053914
Energy: 0.664430832921594
Energy: 1.8343098725948521
Energy: 0.664430832920377
Energy: 0.7915175987050218
Energy: 0.6610364769003092
Energy: 1.7344332613332059
Energy: 0.6610364769009178
Energy: 0.7955583987501952
Energy: 0.6610138982565635
Energy: 1.3961666255502616
Energy: 0.6610138982596059
Energy: 1.0535525683214009
Energy: 0.6615293926898339
Energy: 1.843955234086262
Energy: 0.6615293926867916
Energy: 1.0505532855247386
Energy: 0.6606046656769864
Energy: 1.6263499839303281
Energy: 0.6606046656855051
Energy: 1.202209841795344
Energy: 0.6635763862748832
Energy: 1.397715973118191
Energy: 0.6635763862754919
Energy: 1.289826221344351
Energy: 0.6604993196343886
Energy: 1.6356482853387377
Energy: 0.6604993196690446
Energy: 1.286821975750985
Energy: 0.6619301009821417
Energy: 1.3998743159524574
Energy: 0.6619301010648679
Energy: 1.5187532156981758
Energy: 0.7862561860810549
Energy: 1.1709327436193542
Energy: 0.7862561860688851
Energy: 1.2839934433573665
Energy: 0.7853787763090394
Energy: 1.4186431756411175
Energy: 0.7853787763102564
Energy: 1.5151658003057102
Energy: 0.6619169376416476
Energy: 1.1684810412251434
Energy: 0.6619169376507749
Energy: 1.6376841507407482
Energy: 0.6604754575199887
Energy: 1.1690624383977084
Energy: 0.6604754575212056
Energy: 1.282387982251995
Energy: 0.6638429184138774
Energy: 1.0520299925495769
Energy: 0.6638429184339574
Energy: 1.735431931282509
Energy: 0.6606560463465077
Energy: 1.0475921991460586
Energy: 0.6606560463538094
Energy: 1.7341352975950577
Energy: 0.6617313543955331
Energy: 1.0522606488503221
Energy: 0.6617313543943161
Energy: 1.5124063509812247
Energy: 0.6608616703957272
Energy: 0.7960906462691218
Energy: 0.6608616703926846
Energy: 1.7361333442066738
Energy: 0.6607789076448127
Energy: 0.7899487249698305
Energy: 0.6607789076429871
Energy: 1.7294011872628094
Energy: 0.6629141014098009
Energy: 0.7961288797170454
Energy: 0.662914101412235
Energy: 1.509649318058228
Energy: 0.6616478803554174
Energy: 0.66116809969986
Energy: 0.6616478803529835
Energy: 1.8421845439009723
Energy: 0.6612881446731048
Energy: 0.6615383224864533
Energy: 0.6612881446737134
Energy: 1.6217077174475052
Energy: 0.6612922732069126
Energy: 0.6611867648361286
Energy: 0.6612922732050872

minimum gb energy = 0.6604754575199887 eV
minimum distance =  2.24094896179787 Angstroms
sigma value = 113


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

Energy: 0.020480072523599
Energy: 0.5855970738815034
Energy: 1.4176609389989587
Energy: 0.021510610882560992
Energy: 0.9922910341836881
Energy: 0.16825023176741422
Energy: 0.9958379969856179
Energy: 0.1682502317664787
Energy: 0.021119370375541558
Energy: 0.16598829634524742
Energy: 0.9934365689440465
Energy: 0.1659882963434283
Energy: 0.023045058035371043
Energy: 0.16722821892540585
Energy: 0.990442240581619
Energy: 0.16722821892722495
Energy: 0.9942566525896227
Energy: 0.1666874535055175
Energy: 0.9941310259956753
Energy: 0.1666874535032306
Energy: 0.021017262100166637
Energy: 0.16578234304289843
Energy: 0.994172610104964
Energy: 0.16578234304289843

minimum gb energy = 0.020480072523599 eV
minimum distance =  2.45781140209963 Angstroms
sigma value = 1