Model name: model_name=EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_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=3.520000994205475
cohesive_energy=4.414156524791696
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=[1.78964732194434e-19, 2.7050188982475597e-19, 3.3921283695047995e-19, 3.9445909164406796e-19, 4.404383566866e-19, 4.79493014316984e-19, 5.13098669215134e-19, 5.42258283953934e-19, 5.67694440195318e-19, 5.89947071464944e-19, 6.094327436876519e-19, 6.264863117799479e-19, 6.413753392397099e-19, 6.543209264424299e-19, 6.65508925877652e-19, 6.75094748678874e-19, 6.8321618203662e-19, 6.89986980491904e-19, 6.95508081172668e-19, 6.9987080814704995e-19, 7.03150463716848e-19, 7.054207480072259e-19, 7.06740941553642e-19, 7.0717032489155395e-19, 7.067121023742299e-19, 7.05233293341048e-19, 7.025656692454379e-19, 6.9850094712498e-19, 6.92798800484574e-19, 6.851740418833679e-19, 6.752806011684179e-19, 6.6270511676815195e-19, 6.4695091392603005e-19, 6.274107676977659e-19, 6.03341268125184e-19, 5.73829174526904e-19, 5.377433501993219e-19, 4.936626644680799e-19, 4.39794281679732e-19, 3.7385189577756e-19, 2.92884297401736e-19, 1.9303985392412399e-19, 6.92056992703032e-20, -8.54935871492106e-20, -2.8048505243121e-19, -5.2895060483193e-19, -8.497848736137959e-19, -1.27081446255612e-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: -0.0364522165523 eV

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

Energy: 0.017954769021708877
Energy: 0.15333387686073421
Energy: 0.8127069574839463
Energy: 0.01851547507964066
Energy: 0.15333387686139574
Energy: 0.9320870429378683
Energy: 0.01851547507964066
Energy: 0.9320870429385298
Energy: 0.8127069574839463
Energy: 0.018515475080265433
Energy: 0.017954769022370403
Energy: 0.15333387686139574
Energy: 0.01851547507964066
Energy: 0.932087042944998
Energy: 0.15333387686139574
Energy: 0.9320870429411025

minimum gb energy = 0.017954769021708877 eV
minimum distance =  2.45689088485991 Angstroms
sigma value = 1


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

Energy: 1.6641418044090617
Energy: 1.2157988777281814
Energy: 1.2184023507917672
Energy: 1.1293180411260582
Energy: 1.143333709930817
Energy: 1.2479470637964234
Energy: 1.1451043579654705
Energy: 1.2479470637964234
Energy: 1.2179350059856244
Energy: 1.2164032806142993
Energy: 1.144021283834813
Energy: 1.2164032806142993
Energy: 1.1459990566836564
Energy: 1.1424596155672935
Energy: 1.14447111087998
Energy: 1.1424596155680957
Energy: 1.1963992268728254
Energy: 1.144163697211566
Energy: 1.1463938156028455
Energy: 1.1441636972123683
Energy: 1.219244794510577
Energy: 1.2674743274295066
Energy: 1.144239298039817
Energy: 1.2674743274303089
Energy: 1.1991944461455488
Energy: 1.2370570812287285
Energy: 1.1961013612323639
Energy: 1.2370570812279262
Energy: 1.1999750566166247
Energy: 1.1986870392189337
Energy: 1.2648429520975326
Energy: 1.1986870392189337
Energy: 1.2250939715127702
Energy: 1.301002894878783
Energy: 1.2269778550536563
Energy: 1.3010028948771786
Energy: 1.2622712242180054
Energy: 1.2810167699730093
Energy: 1.2282455384082138
Energy: 1.2810167699754162
Energy: 1.2223252778972826
Energy: 1.299648051031221
Energy: 1.2264320488641351
Energy: 1.2996480510304187
Energy: 1.201268904709863
Energy: 1.300630790575171
Energy: 1.2719786187584903
Energy: 1.3006307905743686
Energy: 1.2123739476709519
Energy: 1.236664152916526
Energy: 1.1584865375976607
Energy: 1.2366641529149214
Energy: 1.1990949387539718
Energy: 1.2412446042027552
Energy: 1.213205781341356
Energy: 1.2412446042027552
Energy: 1.159034390286591
Energy: 1.142362452149311
Energy: 1.1426593449352112
Energy: 1.142362452149311
Energy: 1.1756761670744145
Energy: 1.1431170189906674
Energy: 1.1429148552502155
Energy: 1.1431170189898652
Energy: 1.2180212060197557
Energy: 1.2159222217872012
Energy: 1.1238477012135508
Energy: 1.2159222217872012
Energy: 1.143877385317066
Energy: 1.1438783733296032
Energy: 1.1593589923389858
Energy: 1.1438783733296032
Energy: 1.1455335287719615
Energy: 1.2168690547871006
Energy: 1.2201729804749624
Energy: 1.2168690547862984
Energy: 1.1963392683728153
Energy: 1.1424480713108298
Energy: 1.1458199011719663
Energy: 1.1424480713100273
Energy: 1.1434319153643457
Energy: 1.143754289678993
Energy: 1.1960622435395323
Energy: 1.143754289676586
Energy: 1.1443203944550537
Energy: 1.143356149489156
Energy: 1.2207933558229496
Energy: 1.1433561494915627
Energy: 1.1969822979442049
Energy: 1.2392010122018298
Energy: 1.1966228834613848
Energy: 1.2392010122018298
Energy: 1.2658827533714598
Energy: 1.2398003946569294
Energy: 1.1989549792394438
Energy: 1.2398003946569294
Energy: 1.2278296613925006
Energy: 1.301776139424759
Energy: 1.2248212578438369
Energy: 1.3017761394215495
Energy: 1.2296188756316315
Energy: 1.3006338857155184
Energy: 1.2649688277372164
Energy: 1.3006338857163209
Energy: 1.2264761642172892
Energy: 1.2999212583007185
Energy: 1.2224427446234334
Energy: 1.2999212582991142
Energy: 1.2684145822897357
Energy: 1.3001381391726856
Energy: 1.1996746124031996
Energy: 1.3001381391734879
Energy: 1.1591528134689126
Energy: 1.238510093421074
Energy: 1.2140168026102054
Energy: 1.2385100934226785
Energy: 1.213360065072167
Energy: 1.2385001962360804
Energy: 1.2000714538588129
Energy: 1.238500196235278
Energy: 1.1417505533011636
Energy: 1.1420122587542243
Energy: 1.1587627809340173
Energy: 1.1420122587550265
Energy: 1.143025880786383
Energy: 1.1433872277665629
Energy: 1.1953290205617197
Energy: 1.1433872277673651
Energy: 1.123871891341816
Energy: 1.14696956838508
Energy: 1.2178623852890151
Energy: 1.1469695683842778

minimum gb energy = 1.1238477012135508 eV
minimum distance =  2.24222483546165 Angstroms
sigma value = 1


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

Energy: 1.8875644786466852
Energy: 1.274903195977734
Energy: 1.2759501265260673
Energy: 1.1767303647211744
Energy: 1.1948290420243646
Energy: 1.3031825022303054
Energy: 1.195923106175281
Energy: 1.3031825022312202
Energy: 1.275169852312992
Energy: 1.2752921503818324
Energy: 1.196194642173684
Energy: 1.275292150387321
Energy: 1.1983249094903758
Energy: 1.1945052234269598
Energy: 1.1957028906963132
Energy: 1.1945052234315334
Energy: 1.194757415837407
Energy: 1.1959479086393339
Energy: 1.1947770617059008
Energy: 1.1959479086375044
Energy: 1.2877350561410652
Energy: 1.2529529214647799
Energy: 1.1965500235585704
Energy: 1.252952921468439
Energy: 1.2636801308823922
Energy: 1.3077916603309465
Energy: 1.2581089704551123
Energy: 1.3077916603309465
Energy: 1.2622818322305358
Energy: 1.2999522378841522
Energy: 1.3352708355034375
Energy: 1.2999522378603685
Energy: 1.2605745903933503
Energy: 1.3713133800620834
Energy: 1.2811176667217676
Energy: 1.3713133800648276
Energy: 1.3372597165757807
Energy: 1.3602626135848621
Energy: 1.2643857459216807
Energy: 1.3602626135866918
Energy: 1.218471971431077
Energy: 1.3085290755883752
Energy: 1.2887438826008752
Energy: 1.3085290755874603
Energy: 1.277933435444356
Energy: 1.308682765604194
Energy: 1.2902010317511996
Energy: 1.3086827656087676
Energy: 1.1956800833725698
Energy: 1.195494547580403
Energy: 1.2167832912731336
Energy: 1.1954945475840622
Energy: 1.1945034402540922
Energy: 1.195557667095215
Energy: 1.2278423638359928
Energy: 1.1955576671007035
Energy: 1.1687257220697698
Energy: 1.2746628079453999
Energy: 1.2755807144264282
Energy: 1.2746628079499738
Energy: 1.218406553484532
Energy: 1.1952641398899495
Energy: 1.1953079508045081
Energy: 1.1952641398872053
Energy: 1.2749360691072678
Energy: 1.2756334948683647
Energy: 1.196191043998637
Energy: 1.2756334948647057
Energy: 1.1984276327808356
Energy: 1.1942421295505703
Energy: 1.2847904690572345
Energy: 1.1942421295496557
Energy: 1.1941293004153544
Energy: 1.1952549705687388
Energy: 1.1960693533597038
Energy: 1.195254970567824
Energy: 1.2881638552986725
Energy: 1.1959005523760602
Energy: 1.1972226956287197
Energy: 1.1959005523742308
Energy: 1.2604609658441814
Energy: 1.3112780893022211
Energy: 1.2589249108350797
Energy: 1.3112780893049651
Energy: 1.2597023306953954
Energy: 1.3097062606207737
Energy: 1.3364362467017654
Energy: 1.309706260623518
Energy: 1.2604452876012562
Energy: 1.3724026812539354
Energy: 1.281292132298655
Energy: 1.3724026812548498
Energy: 1.3363995775216295
Energy: 1.3714076329037646
Energy: 1.2628943022063255
Energy: 1.3714076329037646
Energy: 1.2196199289087177
Energy: 1.3069121641768644
Energy: 1.2917493704935779
Energy: 1.3069121641759496
Energy: 1.2200109091788303
Energy: 1.3066254975435838
Energy: 1.2887129043636363
Energy: 1.30662549753901
Energy: 1.1948598553711496
Energy: 1.1954567003784085
Energy: 1.2181981048158743
Energy: 1.1954567003792815
Energy: 1.1940792397283335
Energy: 1.1957557374027525
Energy: 1.170036776993637
Energy: 1.1957557374009233
Energy: 1.1688415789205957
Energy: 1.1989044744817072
Energy: 1.2757136897180812
Energy: 1.1989044744807924

minimum gb energy = 1.1687257220697698 eV
minimum distance =  2.24559184351253 Angstroms
sigma value = 25


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

Energy: 1.8057453609225032
Energy: 1.3376960973126013
Energy: 1.3373930994370775
Energy: 1.2250181217429377
Energy: 1.253494149585944
Energy: 1.3600342626975608
Energy: 1.2533965448489557
Energy: 1.3600342626975608
Energy: 1.336602110755394
Energy: 1.3386736228607274
Energy: 1.2506084847085996
Energy: 1.338673622859664
Energy: 1.2582337942901451
Energy: 1.254218885566355
Energy: 1.2531469121578798
Energy: 1.2542188855652916
Energy: 1.2513441635763296
Energy: 1.2535796732393303
Energy: 1.2542656292723682
Energy: 1.2535796732393303
Energy: 1.3651772558237687
Energy: 1.2554258537808747
Energy: 1.252565592138317
Energy: 1.2554258537808747
Energy: 1.3181129254549737
Energy: 1.3948836268790972
Energy: 1.3148176567885232
Energy: 1.394883626878034
Energy: 1.3156177360088472
Energy: 1.3963745262226095
Energy: 1.4164275336125185
Energy: 1.3963745262236729
Energy: 1.3182653127828807
Energy: 1.3935516234570853
Energy: 1.29046286535594
Energy: 1.3935516234581484
Energy: 1.3675607768425055
Energy: 1.394632976272665
Energy: 1.2531006088860848
Energy: 1.394632976272665
Energy: 1.2143800277292143
Energy: 1.2543424284834652
Energy: 1.2525770916369632
Energy: 1.2543424284834652
Energy: 1.2151285881044738
Energy: 1.2533559519888628
Energy: 1.2537605608526214
Energy: 1.2533559519877995
Energy: 1.3363279902194765
Energy: 1.3368985579899022
Energy: 1.2142058902977226
Energy: 1.3368985579899022
Energy: 1.2530856437620934
Energy: 1.2572868436998885
Energy: 1.2879946280906105
Energy: 1.2572868436998885
Energy: 1.2511122130557135
Energy: 1.3392337775479295
Energy: 1.3385063075382724
Energy: 1.3392337775479295
Energy: 1.255646378389628
Energy: 1.2531945996734406
Energy: 1.2582283491181614
Energy: 1.2531945996723775
Energy: 1.2564686058912335
Energy: 1.259497997231594
Energy: 1.2512345885870526
Energy: 1.2594979972305307
Energy: 1.2533392986607432
Energy: 1.253530859618386
Energy: 1.3651376176690797
Energy: 1.2535308596173225
Energy: 1.3153959828971942
Energy: 1.3971503941145
Energy: 1.3233189917892596
Energy: 1.3971503941155636
Energy: 1.4176996855765063
Energy: 1.3966357795750883
Energy: 1.3176869591513245
Energy: 1.396635779574025
Energy: 1.2887576282655364
Energy: 1.3933884673571748
Energy: 1.3180243591065308
Energy: 1.393388467355048
Energy: 1.2900295852574961
Energy: 1.393356716632809
Energy: 1.3670148960821398
Energy: 1.3933567166338723
Energy: 1.2518043797363045
Energy: 1.2533223060084127
Energy: 1.2145621505201334
Energy: 1.2533223060084127
Energy: 1.252905628596927
Energy: 1.2535144779393035
Energy: 1.2149602107188266
Energy: 1.2535144779403669
Energy: 1.2140172067585717
Energy: 1.2578880499910334
Energy: 1.3373571636923711
Energy: 1.2578880499899698

minimum gb energy = 1.2140172067585717 eV
minimum distance =  2.24960213213294 Angstroms
sigma value = 9


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

Energy: 1.6833546512568007
Energy: 1.4033820316342724
Energy: 1.4031798291233788
Energy: 1.2708817255254763
Energy: 1.3199438206609333
Energy: 1.413596007650192
Energy: 1.3195765522257332
Energy: 1.4135960076539977
Energy: 1.4025941910468442
Energy: 1.4030254536261435
Energy: 1.3993161923446205
Energy: 1.4030254536261435
Energy: 1.3160933421175018
Energy: 1.4144248976713554
Energy: 1.3202075529992512
Energy: 1.414424897672624
Energy: 1.3169675146496598
Energy: 1.3211166247181416
Energy: 1.3192050325360545
Energy: 1.32111662471941
Energy: 1.3167629098609304
Energy: 1.3230999913947228
Energy: 1.322555212328158
Energy: 1.3230999913947228
Energy: 1.3739655705128742
Energy: 1.4774079780610263
Energy: 1.3203947842265598
Energy: 1.477407978057221
Energy: 1.3231746529535429
Energy: 1.4770811954632688
Energy: 1.3195060844836104
Energy: 1.4770811954645373
Energy: 1.3177043550361376
Energy: 1.320643663936711
Energy: 1.2551090813463706
Energy: 1.3206436639341734
Energy: 1.3201446476029002
Energy: 1.3202654519152666
Energy: 1.254854582675501
Energy: 1.3202654519152666
Energy: 1.2533087715073847
Energy: 1.4030236355026264
Energy: 1.401662760981579
Energy: 1.4030236355013581
Energy: 1.3691763663178136
Energy: 1.3244924461679823
Energy: 1.3196997208613572
Energy: 1.3244924461692507
Energy: 1.4061567389881426
Energy: 1.4036649911970493
Energy: 1.3114512539061953
Energy: 1.4036649911995864
Energy: 1.4039341337235318
Energy: 1.4127937327151368
Energy: 1.4011739614680785
Energy: 1.4127937327151368
Energy: 1.317141653925628
Energy: 1.3178543750517462
Energy: 1.323580974855963
Energy: 1.3178543750530147
Energy: 1.3189556634261894
Energy: 1.3212511144046202
Energy: 1.3229162179248146
Energy: 1.32125111440586
Energy: 1.3703817479010063
Energy: 1.4798023209911622
Energy: 1.3192651209957797
Energy: 1.4798023209898938
Energy: 1.3680149148103569
Energy: 1.47827373659831
Energy: 1.3206114872579258
Energy: 1.478273736602116
Energy: 1.3175105604689252
Energy: 1.3208031775917441
Energy: 1.2545998983598645
Energy: 1.3208031775892068
Energy: 1.3209720556229605
Energy: 1.3207380378276212
Energy: 1.2551113469847603
Energy: 1.3207380378288898
Energy: 1.2529797990337057
Energy: 1.3156210789593519
Energy: 1.404021730163852
Energy: 1.315621078956815

minimum gb energy = 1.2529797990337057 eV
minimum distance =  2.27267265441331 Angstroms
sigma value = 25


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

Energy: 1.5057389243295853
Energy: 1.4697346218745218
Energy: 1.4687811751769746
Energy: 1.3025770751639718
Energy: 1.4702959148209114
Energy: 1.4048349964590392
Energy: 1.3278227719522069
Energy: 1.4048349964590392
Energy: 1.4680411762184902
Energy: 1.4707016097784693
Energy: 1.4688883337908392
Energy: 1.470701609780038
Energy: 1.4702777327941432
Energy: 1.4053169009351232
Energy: 1.3279909121072264
Energy: 1.4053169009366921
Energy: 1.3229118019638382
Energy: 1.4078076248487466
Energy: 1.328510286142577
Energy: 1.4078076248503153
Energy: 1.2931211670780616
Energy: 1.328537732967221
Energy: 1.3248908702445183
Energy: 1.328537732967221
Energy: 1.2876068152564508
Energy: 1.4053200302866178
Energy: 1.3297181387035428
Energy: 1.405320030285049
Energy: 1.2877364517917678
Energy: 1.406569074721036
Energy: 1.3313863099181358
Energy: 1.406569074721036
Energy: 1.46673416037351
Energy: 1.469188790738744
Energy: 1.629973762745503
Energy: 1.4691887907261938
Energy: 1.5029299437304293
Energy: 1.4816882251526555
Energy: 1.2876615636048137
Energy: 1.4816882251542243
Energy: 1.4631752762012873
Energy: 1.469048810016354
Energy: 1.474296119272329
Energy: 1.4690488100179229
Energy: 1.4622705121936281
Energy: 1.4071783341269979
Energy: 1.4711950960229752
Energy: 1.4071783341285662
Energy: 1.3263190098269313
Energy: 1.486166273963119
Energy: 1.3217325776367157
Energy: 1.486166273963119
Energy: 1.328101383704945
Energy: 1.3304608717730777
Energy: 1.295122056875164
Energy: 1.3304608717730777
Energy: 1.3981061530695624
Energy: 1.3280944681442948
Energy: 1.287596211674206
Energy: 1.328094468142726
Energy: 1.3264137890560694
Energy: 1.4790421708496326
Energy: 1.287664796567916
Energy: 1.4790421708496326
Energy: 1.6300099642381707
Energy: 1.295400205296195
Energy: 1.4716939415840289
Energy: 1.295400205296195

minimum gb energy = 1.287596211674206 eV
minimum distance =  2.31250316789248 Angstroms
sigma value = 17


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

Energy: 2.0662428478439616
Energy: 1.611656400216569
Energy: 1.6098347080031727
Energy: 1.5087421953131832
Energy: 1.3813299742399356
Energy: 1.4245028855893918
Energy: 1.4187978835226107
Energy: 1.4245028855885031
Energy: 1.4138942187766599
Energy: 1.4145773949323428
Energy: 1.5061222083798653
Energy: 1.4145773949305658
Energy: 1.4165618575780323
Energy: 1.423839810191826
Energy: 1.4182048078241625
Energy: 1.4238398101909375
Energy: 1.4147215358716132
Energy: 1.5151721075166287
Energy: 1.323901667183445
Energy: 1.5151721075175175
Energy: 1.421878214906996
Energy: 1.515716804054675
Energy: 1.416061950566635
Energy: 1.5157168040528979
Energy: 1.494889339872047
Energy: 1.4117501810241353
Energy: 1.4105365095194105
Energy: 1.4117501810241353
Energy: 1.5144723240025877
Energy: 1.4209900585521702
Energy: 1.4128519287442258
Energy: 1.4209900585521702
Energy: 1.6142289823563418
Energy: 1.6113690042166326
Energy: 1.5113554083810488
Energy: 1.6113690042166326
Energy: 1.619206880824686
Energy: 1.516110208064306
Energy: 1.416869553466025
Energy: 1.5161102080634177
Energy: 1.4137932370322188
Energy: 1.354802177946948
Energy: 1.345965598793009
Energy: 1.3548021779478363
Energy: 1.513962613612069
Energy: 1.3841943671242751
Energy: 1.3536607723408887
Energy: 1.3841943671224983
Energy: 1.4999606071266796
Energy: 1.3845693485706403
Energy: 1.3824419609111231
Energy: 1.384569348571529
Energy: 1.4994538116836198
Energy: 1.4227696792665876
Energy: 1.3474701702420642
Energy: 1.4227696792665876
Energy: 1.6152885960167207
Energy: 1.5198503612424885
Energy: 1.5120570297111222
Energy: 1.5198503612424885
Energy: 1.6142047428280946
Energy: 1.5142558747515538
Energy: 1.5122560579766047
Energy: 1.5142558747488883
Energy: 1.509615429491234
Energy: 1.4156527017855807
Energy: 1.4154054575012205
Energy: 1.4156527017873577
Energy: 1.5088639635609828
Energy: 1.4197489706385102
Energy: 1.40970947261652
Energy: 1.4197489706393986
Energy: 1.4225554216283456
Energy: 1.5556836318740384
Energy: 1.4159333926453164
Energy: 1.5556836318740384
Energy: 1.4402764664132455
Energy: 1.4801353659985397
Energy: 1.4155779127225525
Energy: 1.4801353659985397
Energy: 1.411365189686803
Energy: 1.424176069679171
Energy: 1.5141918650413313
Energy: 1.424176069679171
Energy: 1.4145036729469955
Energy: 1.4147424771702999
Energy: 1.4967872980280716
Energy: 1.4147424771702999
Energy: 1.4180680227425349
Energy: 1.515573510545861
Energy: 1.5339096642707097
Energy: 1.515573510545861
Energy: 1.5106002920023884
Energy: 1.6109532292138715
Energy: 1.6116554534175793
Energy: 1.6109532292129833
Energy: 1.3483008321265637
Energy: 1.421160179342781
Energy: 1.5092077166893334
Energy: 1.4211601793507775
Energy: 1.3540076878440577
Energy: 1.3844911555880606
Energy: 1.4132161999596653
Energy: 1.3844911555809527
Energy: 1.345488560034108
Energy: 1.3511569397904075
Energy: 1.5177651144285769
Energy: 1.3511569397904075
Energy: 1.35889452350658
Energy: 1.382056138492247
Energy: 1.5006155907061838
Energy: 1.3820561384931356
Energy: 1.3501454448824097
Energy: 1.42096792681362
Energy: 1.5003282236207365
Energy: 1.42096792681362
Energy: 1.5126070330934207
Energy: 1.6108074929990932
Energy: 1.6088266229622532
Energy: 1.6108074930008702

minimum gb energy = 1.323901667183445 eV
minimum distance =  2.25601603704165 Angstroms
sigma value = 53


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

Energy: 1.8745092733103323
Energy: 1.4976043173201852
Energy: 1.498150457060941
Energy: 1.26558788455419
Energy: 1.5012613852416998
Energy: 1.3487830913632066
Energy: 1.494043064047889
Energy: 1.348783091361161
Energy: 1.4969857542227485
Energy: 1.4974516255859034
Energy: 1.5143160121256836
Energy: 1.497451625587949
Energy: 1.5016756109308091
Energy: 1.350313401124061
Energy: 1.5012873651760879
Energy: 1.35031340111997
Energy: 1.5270634854685852
Energy: 1.3494722333289177
Energy: 1.2498825705524454
Energy: 1.3494722333289177
Energy: 1.5018208830027184
Energy: 1.3546185338722054
Energy: 1.2529327573764635
Energy: 1.354618533874251
Energy: 1.7258939488066096
Energy: 1.4946063092902968
Energy: 1.4925874331318052
Energy: 1.4946063092882516
Energy: 1.7289452296397605
Energy: 1.3528272923084097
Energy: 1.4964921278488217
Energy: 1.3528272923084097
Energy: 1.4957441936973093
Energy: 1.496552924287544
Energy: 1.5157652563651218
Energy: 1.4965529242895894
Energy: 1.499716800653739
Energy: 1.352876310952273
Energy: 1.5002359105803211
Energy: 1.3528763109502273
Energy: 1.5295505420678228
Energy: 1.3563507612540242
Energy: 1.266217112161463
Energy: 1.3563507612540242
Energy: 1.5001613385709176
Energy: 1.3484562628003578
Energy: 1.247240839662684
Energy: 1.3484562627983123
Energy: 1.7219616472958015
Energy: 1.3531328820751674
Energy: 1.5192458282865098
Energy: 1.353132882073122

minimum gb energy = 1.247240839662684 eV
minimum distance =  2.30208149178585 Angstroms
sigma value = 9


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

Energy: 1.834380521333366
Energy: 1.6810022128472901
Energy: 1.6824641245574787
Energy: 1.5573171696324688
Energy: 1.375266929186831
Energy: 1.3742410803998122
Energy: 1.6872416827121852
Energy: 1.3742410804005696
Energy: 1.382499944761965
Energy: 1.377642159439514
Energy: 1.7044978896924199
Energy: 1.3776421594410284
Energy: 1.3789774727097124
Energy: 1.3779773199456407
Energy: 1.679490780988455
Energy: 1.3779773199456407
Energy: 1.3740009504858957
Energy: 1.3735149590041473
Energy: 1.7970492312420325
Energy: 1.3735149590033902
Energy: 1.3738669082976
Energy: 1.3748496209516965
Energy: 1.7922761753167435
Energy: 1.3748496209509395
Energy: 1.679720901686122
Energy: 1.6697839694622105
Energy: 1.684293878264353
Energy: 1.6697839694622105
Energy: 1.6800148101989028
Energy: 1.5331661835260941
Energy: 1.6678395721497123
Energy: 1.5331661835291224
Energy: 1.4639064942208264
Energy: 1.5471271516912986
Energy: 1.469893360189492
Energy: 1.5471271516943268
Energy: 1.3638735964325432
Energy: 1.4767508254418065
Energy: 1.66691427759838
Energy: 1.4767508254410493
Energy: 1.4648716791021619
Energy: 1.4700420282856963
Energy: 1.5494445740076142
Energy: 1.4700420282872102
Energy: 1.4664585334094429
Energy: 1.5590770127766975
Energy: 1.7822249170517652
Energy: 1.5590770127766975
Energy: 1.681310692945187
Energy: 1.5337896150578656
Energy: 1.473594179573888
Energy: 1.533789615060068
Energy: 1.6811282323214265
Energy: 1.4656426014521076
Energy: 1.4677997700626417
Energy: 1.4656426014505937
Energy: 1.6672127193493949
Energy: 1.4517690895552802
Energy: 1.4706194382748239
Energy: 1.4517690895537658
Energy: 1.57443226291094
Energy: 1.5424882178411092
Energy: 1.4635013705681477
Energy: 1.542488217840352
Energy: 1.6695689848437276
Energy: 1.3767609159292207
Energy: 1.4696144718560762
Energy: 1.3767609159284637
Energy: 1.6790809248043803
Energy: 1.6720835422145035
Energy: 1.8324884040260079
Energy: 1.6720835422145035
Energy: 1.6872638559604385
Energy: 1.3742489080525382
Energy: 1.3657598963209985
Energy: 1.3742489080532954
Energy: 1.706858064408469
Energy: 1.3798742485671374
Energy: 1.3841612268787247
Energy: 1.3798742485686513
Energy: 1.679763487629728
Energy: 1.3764455693730977
Energy: 1.3769123851831664
Energy: 1.3764455693723407
Energy: 1.7924115386067763
Energy: 1.3732789120606432
Energy: 1.3728926065574039
Energy: 1.3732789120598863
Energy: 1.7844166115106643
Energy: 1.374640663537985
Energy: 1.3730026479513444
Energy: 1.3746406635372281
Energy: 1.685922474511406
Energy: 1.6674390527919245
Energy: 1.680322006546482
Energy: 1.6674390527934386
Energy: 1.6701300386712958
Energy: 1.5316691496662391
Energy: 1.6821024408387526
Energy: 1.531669149665482
Energy: 1.4696626425179147
Energy: 1.5448510570777743
Energy: 1.4635870871998706
Energy: 1.5448510570808025
Energy: 1.6690177313347028
Energy: 1.478396371068444
Energy: 1.3635644474956825
Energy: 1.4783963710722292
Energy: 1.571424471311187
Energy: 1.4570969334994586
Energy: 1.4646333855062694
Energy: 1.4570969335024866
Energy: 1.8279191814120606
Energy: 1.4670453926368576
Energy: 1.4656516646444733
Energy: 1.4670453926361002
Energy: 1.4743613002832148
Energy: 1.4580063347747427
Energy: 1.6851649024764512
Energy: 1.4580063347747427
Energy: 1.4764408189696565
Energy: 1.4670350233817813
Energy: 1.6827226222201854
Energy: 1.4670350233825382
Energy: 1.46980243544898
Energy: 1.4584059779123781
Energy: 1.6677509229079133
Energy: 1.4584059779191916
Energy: 1.4646041790945226
Energy: 1.5440303289255743
Energy: 1.5710882362648373
Energy: 1.5440303289255743
Energy: 1.4680218786311487
Energy: 1.3792620854444604
Energy: 1.5492858632829716
Energy: 1.3792620854459745
Energy: 1.7798227365382808
Energy: 1.6737200446329505
Energy: 1.6740858446824547
Energy: 1.6737200446344647

minimum gb energy = 1.3635644474956825 eV
minimum distance =  2.25736456457461 Angstroms
sigma value = 73


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

Energy: 1.9384653626499901
Energy: 1.617682537911608
Energy: 1.6161692993771146
Energy: 1.465153219170419
Energy: 1.4122051777331124
Energy: 1.4086405586436814
Energy: 1.582417883219536
Energy: 1.4086405586472577
Energy: 1.4105514547931388
Energy: 1.4086203225883929
Energy: 1.6511048807833506
Energy: 1.4086203225907952
Energy: 1.40631943645404
Energy: 1.4093891661757483
Energy: 1.7669657689721232
Energy: 1.4093891661745472
Energy: 1.4102401820109682
Energy: 1.4127137880918175
Energy: 1.690117127530808
Energy: 1.4127137880918175
Energy: 1.407499847995641
Energy: 1.414182564018245
Energy: 1.690376997071456
Energy: 1.414182564018245
Energy: 1.4758714443060992
Energy: 1.6379094975269786
Energy: 1.664514927507098
Energy: 1.6379094975269786
Energy: 1.475556642715392
Energy: 1.5600471310717952
Energy: 1.6365559623950545
Energy: 1.5600471310729693
Energy: 1.5009581542459087
Energy: 1.382106534928328
Energy: 1.6370741704720688
Energy: 1.3821065349319313
Energy: 1.4645157743686252
Energy: 1.4259774407034709
Energy: 1.630475718951232
Energy: 1.4259774407046721
Energy: 1.4811049390985531
Energy: 1.391301199777997
Energy: 1.3735546348827303
Energy: 1.391301199777997
Energy: 1.4568909686249465
Energy: 1.3882023328862652
Energy: 1.7385213874979766
Energy: 1.3882023328862652
Energy: 1.6394106621093867
Energy: 1.502179083641906
Energy: 1.4541766261628204
Energy: 1.5021790836431068
Energy: 1.6440474239425118
Energy: 1.47149502578967
Energy: 1.4665484334702408
Energy: 1.4714950257908712
Energy: 1.6677601054759312
Energy: 1.5373539865581907
Energy: 1.4553784215974748
Energy: 1.5373539865593917
Energy: 1.6986019649775888
Energy: 1.4604772430933428
Energy: 1.457476358637597
Energy: 1.4604772430945439
Energy: 1.6839683062644817
Energy: 1.5395334353613388
Energy: 1.4691717088897258
Energy: 1.5395334353625398
Energy: 1.5900241421941284
Energy: 1.5859263709876052
Energy: 1.4765005119522325
Energy: 1.5859263709912088
Energy: 1.5893903904687814
Energy: 1.5186037597684325
Energy: 1.5721191139752109
Energy: 1.5186037597684325
Energy: 1.5825716559765128
Energy: 1.5085936779250202
Energy: 1.579408531424182
Energy: 1.5085936779250202
Energy: 1.590029302772949
Energy: 1.5380902057159986
Energy: 1.4664685861335172
Energy: 1.5380902057147974
Energy: 1.687453750729492
Energy: 1.5880242255960566
Energy: 1.5905280301326041
Energy: 1.5880242255972579

minimum gb energy = 1.3735546348827303 eV
minimum distance =  2.21826561984852 Angstroms
sigma value = 7


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

Energy: 2.2361240731640977
Energy: 1.6182628997682862
Energy: 1.6183556118529085
Energy: 1.4117819609746354
Energy: 1.4152232932687137
Energy: 1.4059079123313465
Energy: 1.559145367712323
Energy: 1.4059079123296478
Energy: 1.4054085694782912
Energy: 1.4056915582446639
Energy: 1.5413620912493464
Energy: 1.4056915582472118
Energy: 1.4001109907403322
Energy: 1.404377996188126
Energy: 1.733551523457918
Energy: 1.404377996190674
Energy: 1.4092198479982936
Energy: 1.416704963068605
Energy: 1.6733182319531175
Energy: 1.4167049630677557
Energy: 1.4031579632390536
Energy: 1.4227381438001683
Energy: 1.6738018571538698
Energy: 1.4227381437993187
Energy: 1.555308237963884
Energy: 1.4067658063686357
Energy: 1.4013816141608069
Energy: 1.4067658063626904
Energy: 1.5549071625556266
Energy: 1.4208550303993164
Energy: 1.4218643161115578
Energy: 1.4208550303942205
Energy: 1.55996526496955
Energy: 1.4027620426762666
Energy: 1.400938141119615
Energy: 1.4027620426762666
Energy: 1.676444581686694
Energy: 1.4091673124677757
Energy: 1.4099474902061104
Energy: 1.409167312465228
Energy: 1.561439114881178
Energy: 1.5014520891975258
Energy: 1.3984753130604661
Energy: 1.5014520891983751
Energy: 1.5718899547353962
Energy: 1.5722566354196623
Energy: 1.551067070299382
Energy: 1.5722566354111691
Energy: 1.555762380387889
Energy: 1.4947999457609888
Energy: 1.5791462774966414
Energy: 1.4947999457609888
Energy: 1.5489815759153525
Energy: 1.4904242653674509
Energy: 1.414304622056054
Energy: 1.4904242653632043
Energy: 1.570005251721172
Energy: 1.493840538184694
Energy: 1.424371278289398
Energy: 1.493840538184694
Energy: 1.4089045573597128
Energy: 1.572304262486757
Energy: 1.5715188097248558
Energy: 1.5723042624910035
Energy: 1.4067677000085292
Energy: 1.5004534561644733
Energy: 1.5625001764161452
Energy: 1.5004534561627745
Energy: 1.4110988522613455
Energy: 1.4085936436405673
Energy: 1.5405845464822003
Energy: 1.4085936436414166
Energy: 1.3984915140796461
Energy: 1.4029969733020389
Energy: 1.5608505923764677
Energy: 1.4029969733020389
Energy: 1.415703868868763
Energy: 1.4185911466265597
Energy: 1.4102396545390268
Energy: 1.4185911466274093
Energy: 1.4011864719062284
Energy: 1.4076170362984517
Energy: 1.6727996917014776
Energy: 1.4076170363026983
Energy: 1.5546913469642434
Energy: 1.4220590116260723
Energy: 1.4030529619252008
Energy: 1.4220590116252227
Energy: 1.5546405665956289
Energy: 1.425826388478934
Energy: 1.4100035586449482
Energy: 1.425826388478934
Energy: 1.735545000733014
Energy: 1.4040205508494663
Energy: 1.4015716196507992
Energy: 1.404020550851165
Energy: 1.676727427669995
Energy: 1.4052501952872762
Energy: 1.4068238236927646
Energy: 1.4052501952881253
Energy: 1.6875878575837828
Energy: 1.4058630650467892
Energy: 1.416147198444334
Energy: 1.4058630650467892
Energy: 1.618181361537068
Energy: 1.593445848272379
Energy: 1.9519455842628166
Energy: 1.5934458482689817
Energy: 1.5591374288760964
Energy: 1.499299083471961
Energy: 1.5721819465273161
Energy: 1.4992990834728102
Energy: 1.545674774824355
Energy: 1.4926593104259336
Energy: 1.555987195182002
Energy: 1.4926593104225363
Energy: 1.568445048128338
Energy: 1.496623468013085
Energy: 1.413963420030595
Energy: 1.4966234680113863
Energy: 1.4068684795740227
Energy: 1.5773706344156369
Energy: 1.574505662226132
Energy: 1.5773706344215437

minimum gb energy = 1.3984753130604661 eV
minimum distance =  2.21973954761656 Angstroms
sigma value = 29


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

Energy: 1.30089262238624
Energy: 1.5990349214619657
Energy: 1.336700386853714
Energy: 1.304159520256228
Energy: 1.344091805592956
Energy: 1.4517473090366106
Energy: 1.3443819700512118
Energy: 1.4517473090372024
Energy: 1.3344015339425441
Energy: 1.4172510623640073
Energy: 1.3092347144844143
Energy: 1.417251062365158
Energy: 1.3098667321723105
Energy: 1.3359880416069776
Energy: 1.3432648173350008
Energy: 1.3359880416075693
Energy: 1.3312573982446838
Energy: 1.34058954231524
Energy: 1.3098476217561799
Energy: 1.340589542312939
Energy: 1.3446194494219272
Energy: 1.4250104908690129
Energy: 1.3101611048746995
Energy: 1.4250104908713466
Energy: 1.3092010628257968
Energy: 1.4135625376799654
Energy: 1.3319888760352694
Energy: 1.4135625376802614
Energy: 1.3387874631110128
Energy: 1.3404254367979154
Energy: 1.345348913487905
Energy: 1.340425436796765
Energy: 1.3082384012739177
Energy: 1.3372298629083312
Energy: 1.3402769752652983
Energy: 1.3372298629094816

minimum gb energy = 1.30089262238624 eV
minimum distance =  2.27994106598521 Angstroms
sigma value = 5


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

Energy: 1.920876532586773
Energy: 1.3283268116005835
Energy: 1.5498976433131322
Energy: 1.3103474778034123
Energy: 1.4427622113883274
Energy: 1.3292173814290988
Energy: 1.5609231390502234
Energy: 1.3292173814274943
Energy: 1.5719691151082997
Energy: 1.440674274938376
Energy: 1.5676655566531768
Energy: 1.4406742749367714
Energy: 1.4610417697424427
Energy: 1.327939099743596
Energy: 1.5828751106555283
Energy: 1.3279390997452005
Energy: 1.4474596015896524
Energy: 1.327227338351018
Energy: 1.4678602657803212
Energy: 1.3272273383462043
Energy: 1.327579971949544
Energy: 1.3696451523585702
Energy: 1.4780991434880728
Energy: 1.3696451523609772
Energy: 1.3251345086023194
Energy: 1.324667310869391
Energy: 1.5925688903528123
Energy: 1.3246673108637748
Energy: 1.3282246118981662
Energy: 1.3305724205092155
Energy: 1.6803998141322296
Energy: 1.3305724205140295
Energy: 1.4099137534992332
Energy: 1.3833606385864068
Energy: 1.6690209333619666
Energy: 1.3833606385823953
Energy: 1.6791839090315968
Energy: 1.306841241213633
Energy: 1.3125059827186327
Energy: 1.3068412412128305
Energy: 1.4086774538285918
Energy: 1.304232339553484
Energy: 1.3089956811806807
Energy: 1.3042323395518793
Energy: 1.6796516604253964
Energy: 1.310946869641232
Energy: 1.3178532115946227
Energy: 1.3109468696356161
Energy: 1.6754250142762648
Energy: 1.3044245632455245
Energy: 1.3197063549227412
Energy: 1.3044245632455245
Energy: 1.6598130437048753
Energy: 1.2890327141246671
Energy: 1.6711317714937368
Energy: 1.2890327141190512
Energy: 1.4100543051576135
Energy: 1.2909320769633772
Energy: 1.669800396687472
Energy: 1.2909320769601678
Energy: 1.4144272886007287
Energy: 1.2876231420940023
Energy: 1.3478072852483
Energy: 1.287623142095607
Energy: 1.367192434150306
Energy: 1.3961380859123795
Energy: 1.3450690928532305
Energy: 1.3961380859147865
Energy: 1.636244279928177
Energy: 1.2906248698741734
Energy: 1.3485508580127044
Energy: 1.2906248698693594
Energy: 1.6600445743706151
Energy: 1.4046894672489607
Energy: 1.3488342649376843
Energy: 1.40468946725217
Energy: 1.6311960368406162
Energy: 1.4965358819677055
Energy: 1.4579952970686583
Energy: 1.49653588196931
Energy: 1.47979725564206
Energy: 1.343373258219512
Energy: 1.4289689726537942
Energy: 1.343373258217105
Energy: 1.4667560645252509
Energy: 1.3336684205952385
Energy: 1.3337605825631678
Energy: 1.3336684205928315
Energy: 1.5933670596867417
Energy: 1.3333150137952559
Energy: 1.3364057160882705
Energy: 1.3333150137920466
Energy: 1.6770509818196842
Energy: 1.337589913552136
Energy: 1.3438620812735242
Energy: 1.3375899135529383
Energy: 1.681553908717533
Energy: 1.4943226126796405
Energy: 1.4022093097772867
Energy: 1.4943226126788383
Energy: 1.319326136152883
Energy: 1.3003591493886388
Energy: 1.6787225061372784
Energy: 1.3003591493950573
Energy: 1.3073923608187372
Energy: 1.297851805105941
Energy: 1.4021310885565086
Energy: 1.2978518051083479
Energy: 1.311565081742758
Energy: 1.29968133043978
Energy: 1.3360164142470479
Energy: 1.2996813304349664
Energy: 1.3291783829412471
Energy: 1.2972259729141107
Energy: 1.6778648897505748
Energy: 1.2972259729109017
Energy: 1.6695452013419936
Energy: 1.3743714350382226
Energy: 1.3572196001494667
Energy: 1.374371435041359
Energy: 1.670211475262147
Energy: 1.3264330440277536
Energy: 1.3326656821687195
Energy: 1.3264330440253467
Energy: 1.4471061480625644
Energy: 1.3257188589468232
Energy: 1.3331402600755817
Energy: 1.3257188589556483
Energy: 1.3352170251207545
Energy: 1.324302012320219
Energy: 1.326104414138105
Energy: 1.3243020123138003

minimum gb energy = 1.2876231420940023 eV
minimum distance =  2.2316209767173 Angstroms
sigma value = 1


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

Energy: 1.9061616238761712
Energy: 1.2647507776476297
Energy: 1.5064195581284288
Energy: 1.2434417757727119
Energy: 1.2637346307084516
Energy: 1.2656759755102676
Energy: 1.301305277005986
Energy: 1.2656759755091582
Energy: 1.5773468179366632
Energy: 1.4096051856214145
Energy: 1.5815073574279566
Energy: 1.409605185620305
Energy: 1.291359815954338
Energy: 1.4111121879040986
Energy: 1.2665576619789425
Energy: 1.4111121879040986
Energy: 1.2622948019328377
Energy: 1.2617982235132394
Energy: 1.2920924253724626
Energy: 1.2617982235198952
Energy: 1.261868624458192
Energy: 1.3053946203851845
Energy: 1.6023420734888485
Energy: 1.305394620384075
Energy: 1.257976554419145
Energy: 1.260120726030631
Energy: 1.265823527770046
Energy: 1.2601207260295217
Energy: 1.2659718626341414
Energy: 1.2676832919889176
Energy: 1.2249340115698641
Energy: 1.2676832919878085
Energy: 1.5655622735789114
Energy: 1.3441851253001118
Energy: 1.222974811768802
Energy: 1.3441851252978931
Energy: 1.597806383619307
Energy: 1.2706104428904372
Energy: 1.30705119212957
Energy: 1.2706104428893281
Energy: 1.5697935549602244
Energy: 1.2603346739221104
Energy: 1.2585363679079922
Energy: 1.260334673924329
Energy: 1.2196663716635698
Energy: 1.275669473153315
Energy: 1.2624389088550232
Energy: 1.2756694731555336
Energy: 1.2291034631874416
Energy: 1.261714327156359
Energy: 1.262790939077912
Energy: 1.2617143271552493
Energy: 1.2637731964692163
Energy: 1.4108383590181703
Energy: 1.5789815742242688
Energy: 1.4108383590181703
Energy: 1.2970787284274619
Energy: 1.4081234074393143
Energy: 1.5773536847857421
Energy: 1.4081234074370956
Energy: 1.2917292081927714
Energy: 1.2641681359336014
Energy: 1.2685893610572738
Energy: 1.2641681359369294
Energy: 1.2780068665976616
Energy: 1.2635699816533716
Energy: 1.574810238625384
Energy: 1.2635699816533716
Energy: 1.275600615152128
Energy: 1.2679870656348087
Energy: 1.2593411105888879
Energy: 1.2679870656348087
Energy: 1.2587848831726494
Energy: 1.2622934262349534
Energy: 1.2295955912146666
Energy: 1.2622934262282977
Energy: 1.307330179110718
Energy: 1.29692613223898
Energy: 1.222722854947602
Energy: 1.296926132237871
Energy: 1.5713230706723071
Energy: 1.348446287637257
Energy: 1.2658333360799903
Energy: 1.3484462876394758
Energy: 1.5723619702514635
Energy: 1.2638890786518568
Energy: 1.2661162095278866
Energy: 1.263889078649638
Energy: 1.2663205447530386
Energy: 1.2607087115884863
Energy: 1.2614103439635362
Energy: 1.2607087115862678
Energy: 1.2183559949455685
Energy: 1.2613838752883493
Energy: 1.2603826965539733
Energy: 1.26138387528724

minimum gb energy = 1.2183559949455685 eV
minimum distance =  2.24652368603901 Angstroms
sigma value = 17


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

Energy: 2.031329842878187
Energy: 1.2538928010633534
Energy: 1.5107840443715268
Energy: 1.2280281043890116
Energy: 1.2953100291447832
Energy: 1.2511247288531553
Energy: 1.4623222981099637
Energy: 1.2511247288538407
Energy: 1.640733731865894
Energy: 1.2478110425860054
Energy: 1.4585006863329055
Energy: 1.2478110425860054
Energy: 1.64224863278582
Energy: 1.3259331010249098
Energy: 1.4589180678499782
Energy: 1.3259331010235387
Energy: 1.3885613921521824
Energy: 1.2264433832800719
Energy: 1.4453356385242062
Energy: 1.2264433832800719
Energy: 1.2270548411585396
Energy: 1.2254885411039411
Energy: 1.4044699749374085
Energy: 1.2254885411039411
Energy: 1.2270916811828887
Energy: 1.2248964581299686
Energy: 1.2738635577876523
Energy: 1.2248964581285975
Energy: 1.2394545649832425
Energy: 1.2286058914777207
Energy: 1.2384711285467918
Energy: 1.2286058914749782
Energy: 1.3962915145899244
Energy: 1.2309631323492682
Energy: 1.5550978294644013
Energy: 1.2309631323506396
Energy: 1.453098329847503
Energy: 1.3316509816334055
Energy: 1.4482950927670883
Energy: 1.331650981634091
Energy: 1.3928937467159785
Energy: 1.2474992515079903
Energy: 1.2649878298063881
Energy: 1.2474992515388443
Energy: 1.4000615134099388
Energy: 1.2540477448978107
Energy: 1.44634540321398
Energy: 1.2540477448964396
Energy: 1.3999595396127977
Energy: 1.2478201988473017
Energy: 1.2485418877587513
Energy: 1.2478201988431878
Energy: 1.2897348535085784
Energy: 1.2470393214171454
Energy: 1.2509187810194
Energy: 1.2470393214185165
Energy: 1.6365200129771071
Energy: 1.2509367278094303
Energy: 1.2554457298900215
Energy: 1.2509367278094303
Energy: 1.2412203633393608
Energy: 1.247637158099144
Energy: 1.2501137596172915
Energy: 1.2476371580984584
Energy: 1.2543753834732396
Energy: 1.2558340200903033
Energy: 1.4353164627016142
Energy: 1.2558340200896174
Energy: 1.246564910296387
Energy: 1.248100216787497
Energy: 1.3972465416212412
Energy: 1.2481002167888682
Energy: 1.2991666325788247
Energy: 1.2507067739862792
Energy: 1.4096794525329897
Energy: 1.2507067739828508
Energy: 1.2598237979757714
Energy: 1.248814319250569
Energy: 1.2212140596049108
Energy: 1.248814319248512
Energy: 1.4647595782977834
Energy: 1.2505732878810791
Energy: 1.2562984885468116
Energy: 1.2505732878817648
Energy: 1.4608226390976746
Energy: 1.252365124798291
Energy: 1.6391151867101041
Energy: 1.252365124798291
Energy: 1.4086682669482482
Energy: 1.3219062800247319
Energy: 1.6404870749445029
Energy: 1.3219062800240462
Energy: 1.4481170240669219
Energy: 1.2274163376387075
Energy: 1.4482683835901278
Energy: 1.227416337639393
Energy: 1.401059481591922
Energy: 1.233700107900824
Energy: 1.2251844924468887
Energy: 1.2337001078994527
Energy: 1.5388103420362431
Energy: 1.2265052624468715
Energy: 1.2315027918713666
Energy: 1.2265052624461856
Energy: 1.2232826692156304
Energy: 1.2299691417773426
Energy: 1.2371749848565603
Energy: 1.2299691417759713
Energy: 1.411669979087165
Energy: 1.2289132919132093
Energy: 1.3995050428253717
Energy: 1.2289132919138952
Energy: 1.4227582937854042
Energy: 1.3249659849031186
Energy: 1.4548730687612232
Energy: 1.3249659849010615
Energy: 1.267022265510978
Energy: 1.2474867005588532
Energy: 1.3909813244784226
Energy: 1.2474867005561106
Energy: 1.409666738086413
Energy: 1.2518476337421791
Energy: 1.3984255849594631
Energy: 1.2518476337428646
Energy: 1.2468377343858545
Energy: 1.2475130690457938
Energy: 1.4024803108462773
Energy: 1.247513069048536
Energy: 1.2472594639431507
Energy: 1.245997821781969
Energy: 1.2481238049699672
Energy: 1.2459978217833405
Energy: 1.2607941898207067
Energy: 1.2536030213638343
Energy: 1.6387073883935508
Energy: 1.2536030213617773
Energy: 1.2542504256491185
Energy: 1.299970418498138
Energy: 1.2380220756908904
Energy: 1.2999704184995091
Energy: 1.8374194779082882
Energy: 1.2543653103863186
Energy: 1.2561070022103848
Energy: 1.2543653103842616
Energy: 1.3950129306006598
Energy: 1.2468622209646778
Energy: 1.2476756205143438
Energy: 1.2468622209639926
Energy: 1.605503640393069
Energy: 1.2526856542059523
Energy: 1.2504734244611067
Energy: 1.2526856542080094

minimum gb energy = 1.2212140596049108 eV
minimum distance =  2.2370115248499 Angstroms
sigma value = 89


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

Energy: 2.144307141300559
Energy: 1.1457209432518851
Energy: 1.1492483670032474
Energy: 1.1960808276230832
Energy: 1.1794637120506537
Energy: 1.2671075364625992
Energy: 1.1467679961958204
Energy: 1.2671075364625992
Energy: 1.1328566753220244
Energy: 1.2682680280473118
Energy: 1.1782374313674269
Energy: 1.2682680280455174
Energy: 1.1331909249910415
Energy: 1.2694771391864468
Energy: 1.1757507915302612
Energy: 1.2694771391864468
Energy: 1.1425254150047262
Energy: 1.1437339732488934
Energy: 1.1684030840938808
Energy: 1.1437339732488934
Energy: 1.1422566045236584
Energy: 1.1429360432037863
Energy: 1.167001653581376
Energy: 1.142936043207374
Energy: 1.1414621714230722
Energy: 1.1405166177191925
Energy: 1.1451658988061866
Energy: 1.1405166177191925
Energy: 1.145855737166999
Energy: 1.146027673492734
Energy: 1.1313392381797451
Energy: 1.146027673474794
Energy: 1.1465595605209913
Energy: 1.1463995249834322
Energy: 1.142946749345642
Energy: 1.1463995249834322
Energy: 1.1818314888592416
Energy: 1.2713809729072507
Energy: 1.1768221081424222
Energy: 1.2713809729090446
Energy: 1.1445929853002426
Energy: 1.2688037965963694
Energy: 1.130883416635159
Energy: 1.2688037965963694
Energy: 1.1670915855504982
Energy: 1.1436075287848608
Energy: 1.1452565122395673
Energy: 1.1436075287848608
Energy: 1.169407452569086
Energy: 1.1457687605264915
Energy: 1.145539588212099
Energy: 1.1457687605264915
Energy: 1.1752221156313816
Energy: 1.1400536936152728
Energy: 1.1393579815188326
Energy: 1.1400536936152728
Energy: 1.1315666924996537
Energy: 1.1446913221441077
Energy: 1.1445162639104947
Energy: 1.1446913221441077

minimum gb energy = 1.130883416635159 eV
minimum distance =  2.26656807226804 Angstroms
sigma value = 13


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

Energy: 1.9070649017432255
Energy: 1.0956984281461233
Energy: 1.4066203625674338
Energy: 1.1082328928901874
Energy: 1.3044188569248478
Energy: 1.0909581799643555
Energy: 1.3061829494671047
Energy: 1.090958179959844
Energy: 1.0950275363613637
Energy: 1.088989016810953
Energy: 1.3010440031475952
Energy: 1.0889890168019298
Energy: 1.4888910578728938
Energy: 1.0931496173536097
Energy: 1.2734943268376635
Energy: 1.09314961734985
Energy: 1.27911544072009
Energy: 1.0909529773011033
Energy: 1.64450001446106
Energy: 1.0909529773078706
Energy: 1.3029476690932265
Energy: 1.0909248454528047
Energy: 1.6416700631181038
Energy: 1.0909248454467892
Energy: 1.3004691812744358
Energy: 1.0900493406216811
Energy: 1.2704745967192086
Energy: 1.0900493405450533
Energy: 1.2736411427383363
Energy: 1.0917300864767527
Energy: 1.605847104496642
Energy: 1.0917300864662258
Energy: 1.1137604604237838
Energy: 1.0923303438805627
Energy: 1.275246248286087
Energy: 1.09233034387154
Energy: 1.1006285245057816
Energy: 1.0893570520034372
Energy: 1.2757492017888679
Energy: 1.0893570520034372
Energy: 1.0881900658824504
Energy: 1.0963943963817058
Energy: 1.908998838785736
Energy: 1.0963943963847136
Energy: 1.4985422711459386
Energy: 1.0896082516015744
Energy: 1.2757629056610136
Energy: 1.089608251603078
Energy: 1.6471098604729548
Energy: 1.160946397218923
Energy: 1.2998127019818435
Energy: 1.1609463972151632
Energy: 1.274316657926629
Energy: 1.1644824553101514
Energy: 1.493517206160146
Energy: 1.164482455316919
Energy: 1.6073650923410272
Energy: 1.091389871687198
Energy: 1.2753119078495192
Energy: 1.091389871687198
Energy: 1.6067049079808633
Energy: 1.090953606102222
Energy: 1.0947444534843989
Energy: 1.090953606092447
Energy: 1.5355431767620007
Energy: 1.0895605608123584
Energy: 1.0952985405376512
Energy: 1.0895605608236376
Energy: 1.0929069218980918
Energy: 1.091927321606393
Energy: 1.0995491365418544
Energy: 1.091927321606393
Energy: 1.4367330142136103
Energy: 1.0923509653617771
Energy: 1.2683140146425376
Energy: 1.0923509653595214
Energy: 1.2753739869002187
Energy: 1.088036891156569
Energy: 1.2942437310588364
Energy: 1.0880368911603284
Energy: 1.4858899470493798
Energy: 1.09710314877267
Energy: 1.269178096761479
Energy: 1.0971031487696623
Energy: 1.2755314034229779
Energy: 1.1762016367391783
Energy: 1.641085334999974
Energy: 1.1762016367309074
Energy: 1.311722985127954
Energy: 1.0914647638180055
Energy: 1.6454252269356184
Energy: 1.091464763822517
Energy: 1.0960589711635214
Energy: 1.087679405811893
Energy: 1.273680711104718
Energy: 1.0876794058156527
Energy: 1.2710439990704636
Energy: 1.0901661308983779
Energy: 1.3060484985276755
Energy: 1.0901661309028896
Energy: 1.0901289795189957
Energy: 1.1130580818763018
Energy: 1.6203307417999808
Energy: 1.113058081874798
Energy: 1.088669432084981
Energy: 1.0875190792182028
Energy: 1.2742984104625381
Energy: 1.087519079222714
Energy: 1.0904639854214357
Energy: 1.0945131745846
Energy: 1.7737496532571506
Energy: 1.094513174593623
Energy: 1.2674693661251468
Energy: 1.090656214849802
Energy: 1.438994733729045
Energy: 1.090656214851306
Energy: 1.2912700771119003
Energy: 1.1655341254892129
Energy: 1.3034786141650037
Energy: 1.1655341254907168
Energy: 1.4931278885047803
Energy: 1.1717773956068993
Energy: 1.4890272599991348
Energy: 1.1717773956106592
Energy: 1.6068360533401482
Energy: 1.0908643005971064
Energy: 1.2678618637341248
Energy: 1.090864300591091
Energy: 1.6079363780502176
Energy: 1.0919029344524969
Energy: 1.101975129404024
Energy: 1.0919029344540006
Energy: 1.49602181397733
Energy: 1.087402605959847
Energy: 1.0892053928692569
Energy: 1.08740260596887
Energy: 1.436866236548192
Energy: 1.0910157940850782
Energy: 1.0961021553970476
Energy: 1.0910157940805667

minimum gb energy = 1.087402605959847 eV
minimum distance =  2.25888532739292 Angstroms
sigma value = 37


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

Energy: 1.6735969821167773
Energy: 1.0015831307534744
Energy: 1.0012856520878346
Energy: 1.067686375511923
Energy: 1.6256177601222297
Energy: 0.9991881752150753
Energy: 1.3089768825167605
Energy: 0.9991881752150753
Energy: 1.614790288953242
Energy: 1.1298563251210538
Energy: 1.3214241077425577
Energy: 1.1298563251197604
Energy: 1.613693902085057
Energy: 1.1305944968947914
Energy: 1.311773903814144
Energy: 1.1305944968934978
Energy: 1.623837616730482
Energy: 1.1303004736907574
Energy: 1.3157812861976659
Energy: 1.1303004736907574
Energy: 1.20698038120716
Energy: 0.999035370876499
Energy: 1.6246243125885085
Energy: 0.9990353708790863
Energy: 0.9914773948490007
Energy: 0.9968338516104236
Energy: 1.625564083344192
Energy: 0.9968338516104236
Energy: 1.0141632719818965
Energy: 0.9979594503773237
Energy: 1.6156603859330174
Energy: 0.9979594503773237
Energy: 0.9988211577173052
Energy: 1.002532309552791
Energy: 1.6149877888420832
Energy: 1.002532309552791
Energy: 0.9969597283218555
Energy: 0.9986619329276588
Energy: 1.4967443324703447
Energy: 0.9986619329263652
Energy: 1.0013834297429078
Energy: 1.067686375511923
Energy: 1.6735969821167773
Energy: 1.0015831307470062
Energy: 1.308976882505147
Energy: 0.9991881752150753
Energy: 1.4962484113964367
Energy: 0.9991881752150753
Energy: 1.3214241077425577
Energy: 1.1298563251210538
Energy: 1.6147902889519483
Energy: 1.1298563251210538
Energy: 1.3117739038128504
Energy: 1.1305944968947914
Energy: 1.6136939020863506
Energy: 1.1305944968947914
Energy: 1.3157812861989595
Energy: 1.1303004736907574
Energy: 1.6238376167291884
Energy: 1.130300473689464
Energy: 1.5318695978395782
Energy: 0.999035370876499
Energy: 1.3203721159544513
Energy: 0.999035370876499
Energy: 1.6255640833454856
Energy: 0.9968338516104236
Energy: 0.9914773948502944
Energy: 0.9968338516091299
Energy: 1.61566038593043
Energy: 0.9979594503773237
Energy: 1.0141632719844837
Energy: 0.9979594503773237
Energy: 1.6149877888420832
Energy: 1.0025323095540846
Energy: 0.9988211577185988
Energy: 1.0025323095540846
Energy: 1.6295631054633049
Energy: 0.9986619329263652
Energy: 0.9969597283218555
Energy: 0.9986619329276588

minimum gb energy = 0.9914773948490007 eV
minimum distance =  2.26728730486107 Angstroms
sigma value = 25


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

Energy: 2.122164062963446
Energy: 0.9177854177509444
Energy: 0.9071980231296317
Energy: 0.9530938400884024
Energy: 1.8168159709888736
Energy: 0.9076832322061605
Energy: 1.167312368228849
Energy: 0.9076832322112114
Energy: 1.7068592103074114
Energy: 0.9064244856246465
Energy: 1.1726488054067812
Energy: 0.9064244856226261
Energy: 1.5153384408173147
Energy: 0.9132679629614942
Energy: 1.3885196835379137
Energy: 0.913267962959474
Energy: 1.6141253027923066
Energy: 1.012667163234479
Energy: 1.6120005905394947
Energy: 1.012667163233469
Energy: 1.5051039626098563
Energy: 1.0105955619288673
Energy: 1.6170822531430153
Energy: 1.0105955619308875
Energy: 1.5164211959486655
Energy: 0.9030609465399261
Energy: 1.603450720697932
Energy: 0.9030609465429565
Energy: 1.1342746907998937
Energy: 0.9052999966395873
Energy: 1.698291184134826
Energy: 0.9052999966355464
Energy: 1.1618244047492123
Energy: 0.9007778855785956
Energy: 1.6064508993055115
Energy: 0.9007778855765752
Energy: 1.1643350829350352
Energy: 0.9018038614877937
Energy: 1.7929768666837225
Energy: 0.9018038614837528
Energy: 1.0261947531491264
Energy: 0.8999249901076483
Energy: 1.8295127199894872
Energy: 0.8999249901015873
Energy: 1.0336488991432466
Energy: 0.9026879389861144
Energy: 1.793295488779061
Energy: 0.9026879389871246
Energy: 1.031152176875877
Energy: 0.8927923930519225
Energy: 1.7927336649537575
Energy: 0.8927923930458614
Energy: 1.0521261751141724
Energy: 0.889728682152006
Energy: 1.788590915235494
Energy: 0.889728682152006
Energy: 1.2861893241494982
Energy: 0.8904218915315155
Energy: 1.8010766681457575
Energy: 0.8904218915274748
Energy: 1.2806422044600523
Energy: 0.8914140720237674
Energy: 1.7069424454641124
Energy: 0.8914140720227572
Energy: 1.405633217052073
Energy: 0.8927244176292092
Energy: 1.7070789975896021
Energy: 0.8927244176302194
Energy: 1.2798382800435113
Energy: 1.0117958962408722
Energy: 1.4012003872010368
Energy: 1.0117958962388518
Energy: 1.6123502657614739
Energy: 1.0065597050811357
Energy: 1.516853971082529
Energy: 1.0065597050851764
Energy: 1.8172763941251362
Energy: 1.0050015815505398
Energy: 1.5061996900196355
Energy: 1.0050015815505398
Energy: 1.8317434712224079
Energy: 0.9114220873786119
Energy: 1.1636152982049164
Energy: 0.9114220873806322
Energy: 1.8162391136719835
Energy: 0.9055799272523999
Energy: 1.0236396610145782
Energy: 0.9055799272523999
Energy: 1.7111195966019073
Energy: 0.910132542142754
Energy: 1.1698209529272456
Energy: 0.9101325421478048
Energy: 1.6981871658227057
Energy: 0.916158255204086
Energy: 0.9144077989330858
Energy: 0.9161582552091369
Energy: 1.8114978307350154
Energy: 0.9070486663386531
Energy: 0.909628169686665
Energy: 0.9070486663386531
Energy: 1.7033499984540095
Energy: 0.9198521484573988
Energy: 0.9095911150558605
Energy: 0.9198521484573988

minimum gb energy = 0.889728682152006 eV
minimum distance =  2.25153005112464 Angstroms
sigma value = 41


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

Energy: 2.1565938681093106
Energy: 0.817789981895529
Energy: 1.1949428127453052
Energy: 0.8327154413639408
Energy: 1.9161231359647648
Energy: 0.8162036605726638
Energy: 1.0326170042455316
Energy: 0.8162036605718356
Energy: 1.9143202598835474
Energy: 0.8139324071264986
Energy: 1.0366017160833088
Energy: 0.8139324071240139
Energy: 1.5865136973076124
Energy: 0.821379772689529
Energy: 1.2609390509058103
Energy: 0.8213797726887008
Energy: 1.7616709257252738
Energy: 0.812354283062604
Energy: 1.4237988319797084
Energy: 0.8123542830609477
Energy: 1.5917747629842074
Energy: 0.8143927905297665
Energy: 1.4176518176127069
Energy: 0.814392790522313
Energy: 1.5991161817777844
Energy: 0.9042140856742062
Energy: 1.601554302821052
Energy: 0.9042140856725499
Energy: 1.4164777171399126
Energy: 0.9104112199716798
Energy: 1.4189845486549026
Energy: 0.9104112199708516
Energy: 1.245616656494404
Energy: 0.814249478860772
Energy: 1.7531815547988128
Energy: 0.8142494788550501
Energy: 1.2500136764855374
Energy: 0.8121397599240685
Energy: 1.9142848827256735
Energy: 0.8121397599240685
Energy: 1.0419344472473047
Energy: 0.8213537964380009
Energy: 1.9173707383989407
Energy: 0.821353796425578
Energy: 1.0264593414543393
Energy: 0.8127132977804223
Energy: 1.9145844085787866
Energy: 0.8127132977812506
Energy: 1.0365036563352468
Energy: 0.816707573624185
Energy: 1.9188177655114436
Energy: 0.816707573624185
Energy: 0.8145151177251858
Energy: 0.8228999940635217
Energy: 1.744546884888804
Energy: 0.8228999940643498
Energy: 0.8167773638097608
Energy: 0.8154025196097071
Energy: 1.910559091538653
Energy: 0.8154025196097071
Energy: 0.8223588674320202
Energy: 0.8165801279427439
Energy: 1.9153988810157927
Energy: 0.8165801279435722
Energy: 1.0372214261992752
Energy: 0.8190762244848042
Energy: 1.9012150446230383
Energy: 0.8190762244806634
Energy: 1.0229305725080091
Energy: 0.811771970187056
Energy: 1.9087485993232742
Energy: 0.8117719701862278
Energy: 1.0397974476419374
Energy: 0.8178488531102162
Energy: 1.5947783677135348
Energy: 0.8178488531118725
Energy: 1.4193640560264034
Energy: 0.8155810441297534
Energy: 1.592157760485563
Energy: 0.8155810441305815
Energy: 1.4557566056121134
Energy: 0.8128352431011678
Energy: 1.7491310153526947
Energy: 0.8128352431003398
Energy: 1.4190310235567993
Energy: 0.8997416851605344
Energy: 1.6030231406789461
Energy: 0.8997416851597062
Energy: 1.7536469269817285
Energy: 0.8984698826447299
Energy: 1.588248645658307
Energy: 0.8984698826455582
Energy: 1.419922500249998
Energy: 0.9018949532545788
Energy: 1.4188619654770482
Energy: 0.9018949532578915
Energy: 1.7497904935934363
Energy: 0.8131405197962773
Energy: 1.2289103494228248
Energy: 0.8131405197971056
Energy: 1.7537323270148426
Energy: 0.8150956773333433
Energy: 1.417408886045662
Energy: 0.8150956773349997
Energy: 1.7460151873994265
Energy: 0.8184076178881542
Energy: 1.0415729254795694
Energy: 0.818407617887326
Energy: 1.9073991574555398
Energy: 0.8125112651037573
Energy: 1.0209906310379213
Energy: 0.8125112651070701
Energy: 1.7449806396755634
Energy: 0.8186519000409228
Energy: 1.035953009986384
Energy: 0.8186519000409228
Energy: 1.7537781150887881
Energy: 0.8208673387209086
Energy: 0.8236950731462801
Energy: 0.8208673387200804
Energy: 1.9091028380516886
Energy: 0.8133455385551576
Energy: 0.8158914856127344
Energy: 0.8133455385551576
Energy: 1.900862214731752
Energy: 0.8219973937294008
Energy: 0.8140563240240067
Energy: 0.8219973937269163

minimum gb energy = 0.8117719701862278 eV
minimum distance =  2.26338783763198 Angstroms
sigma value = 15


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

Energy: 1.8677172820267534
Energy: 0.7559541415315693
Energy: 1.1499621554067678
Energy: 0.771531716002734
Energy: 1.9910272279888923
Energy: 0.7545657234775404
Energy: 0.9437899908959793
Energy: 0.7545657234775404
Energy: 1.9936648173132447
Energy: 0.7537509575618557
Energy: 0.9397696900417201
Energy: 0.7537509575583479
Energy: 1.7108107477245675
Energy: 0.7583903226204087
Energy: 1.287767357936067
Energy: 0.7583903226183041
Energy: 1.858300989523762
Energy: 0.7492234780552844
Energy: 1.2753954759109298
Energy: 0.7492234780573892
Energy: 1.718374469242802
Energy: 0.7508348026350449
Energy: 1.2711566195687214
Energy: 0.7508348026343432
Energy: 1.4289318278731413
Energy: 0.7596345164549176
Energy: 1.5738895014180627
Energy: 0.7596345164605304
Energy: 1.5822124862370925
Energy: 0.830946254988897
Energy: 1.2698820518574838
Energy: 0.8309462549917033
Energy: 1.428884280177511
Energy: 0.8237906130199288
Energy: 1.5690815489422276
Energy: 0.8237906130234367
Energy: 1.4258817500752012
Energy: 0.8254061066455334
Energy: 1.8490479564785542
Energy: 0.8254061066420254
Energy: 1.2828441041943652
Energy: 0.7560314637375746
Energy: 1.5870451356356041
Energy: 0.7560314633322509
Energy: 1.1055452922586573
Energy: 0.7497831545799218
Energy: 1.8493183032627285
Energy: 0.7497831545792203
Energy: 1.2716556131712846
Energy: 0.7527115609649243
Energy: 1.8534866553205889
Energy: 0.7527115609614164
Energy: 0.9449556153010292
Energy: 0.7584689412974314
Energy: 1.582913631415436
Energy: 0.7584689412960282
Energy: 0.9287120080870649
Energy: 0.7507779152202059
Energy: 1.986477448213199
Energy: 0.7507779152195043
Energy: 0.9414956498945782
Energy: 0.7563086328716716
Energy: 1.8542616961672835
Energy: 0.7563086328716716
Energy: 0.7616323842888406
Energy: 0.7568502899192777
Energy: 1.8638125896461122
Energy: 0.7568502899178745
Energy: 0.75038962358786
Energy: 0.7510702062974962
Energy: 1.9841943652969134
Energy: 0.7510702062967948
Energy: 0.7676552643211734
Energy: 0.7560599682578685
Energy: 1.7220254929807637
Energy: 0.756059968257167
Energy: 0.9445476142406097
Energy: 0.7543149511140129
Energy: 1.997249808077737
Energy: 0.754314951115416
Energy: 0.9245401293378804
Energy: 0.7507313208938285
Energy: 1.9862282030159535
Energy: 0.7507313209870754
Energy: 0.9442732855981345
Energy: 0.7577468590720251
Energy: 1.7298603134545218
Energy: 0.7577468590713237
Energy: 1.2719690104660164
Energy: 0.7526587492609462
Energy: 1.7134941489331879
Energy: 0.7526587492602447
Energy: 1.2702280560321124
Energy: 0.7499593799274308
Energy: 1.8509512929930279
Energy: 0.7499593799358498
Energy: 1.2836600913339171
Energy: 0.755649454638599
Energy: 1.4700060031277558
Energy: 0.7556494546407038
Energy: 1.5729498058905338
Energy: 0.8255487186247382
Energy: 1.8503704911946761
Energy: 0.825548718672446
Energy: 1.2710795087697384
Energy: 0.8241118552637624
Energy: 1.5707500915428856
Energy: 0.8241118552623592
Energy: 1.58010193766042
Energy: 0.8306023068008073
Energy: 1.4423869723214473
Energy: 0.8306023068050167
Energy: 1.5785308860977412
Energy: 0.7539041947685403
Energy: 1.5743908857082367
Energy: 0.753904194769242
Energy: 1.5729949234288896
Energy: 0.7510291769577979
Energy: 1.2711193025071972
Energy: 0.7510291769416616
Energy: 1.8571645272544264
Energy: 0.7513020452349733
Energy: 1.1058908409084385
Energy: 0.7513020452356748
Energy: 1.5829333122701337
Energy: 0.7582647501079576
Energy: 1.2838378572889564
Energy: 0.7582647501121671
Energy: 1.8544418645497152
Energy: 0.7535928176775033
Energy: 0.9387804489183216
Energy: 0.7535928176782049
Energy: 1.848155747634372
Energy: 0.7537799899833328
Energy: 0.9373562326211038
Energy: 0.7537799899847358
Energy: 1.8458251898116413
Energy: 0.7602056380314068
Energy: 0.7768275436748389
Energy: 0.7602056380314068
Energy: 1.9913625710419005
Energy: 0.753560373964411
Energy: 0.7611129960863208
Energy: 0.7535603739651127
Energy: 1.9885403913377502
Energy: 0.7544170285566896
Energy: 0.7550039518364979
Energy: 0.7544170285552865

minimum gb energy = 0.7492234780552844 eV
minimum distance =  2.26564217287578 Angstroms
sigma value = 85


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

Energy: 1.9896655565699133
Energy: 0.6807765417788085
Energy: 0.6807043716363084
Energy: 0.7190014675610679
Energy: 1.9057572560137426
Energy: 0.6829971109146906
Energy: 0.8334997059778642
Energy: 0.6829971109134737
Energy: 1.7860441901729214
Energy: 0.6823363207362756
Energy: 0.8330426344282386
Energy: 0.682336320735667
Energy: 1.5310772415594527
Energy: 0.680260778890634
Energy: 1.1399031211028428
Energy: 0.6802607788882
Energy: 1.905723486214567
Energy: 0.6799856725528175
Energy: 1.1385989527748144
Energy: 0.6799856725522091
Energy: 1.5348057461113997
Energy: 0.6811727855981989
Energy: 1.141043299743017
Energy: 0.6811727855975905
Energy: 1.5316610783874596
Energy: 0.6815652506372554
Energy: 1.40742161484522
Energy: 0.6815652506056419
Energy: 1.661948030384947
Energy: 0.6813455297051865
Energy: 1.133554074162093
Energy: 0.6813455296997102
Energy: 1.5338620084173693
Energy: 0.6807069532535484
Energy: 1.4067390653562946
Energy: 0.6807069532517229
Energy: 1.5389826708095675
Energy: 0.8036514477450598
Energy: 1.6597119439800967
Energy: 0.8036514477456683
Energy: 1.407363623172534
Energy: 0.8029130161078972
Energy: 1.4748533977488378
Energy: 0.8029130161085057
Energy: 1.2801464214366092
Energy: 0.6818735779723029
Energy: 1.6605597513077404
Energy: 0.6818735779941808
Energy: 1.4058625419927349
Energy: 0.6825162204176034
Energy: 1.6601974675480082
Energy: 0.6825162204176034
Energy: 1.141080430398557
Energy: 0.682379004279919
Energy: 1.402019475066916
Energy: 0.6823790042805274
Energy: 0.9832199472459702
Energy: 0.6800410574969191
Energy: 1.904656851335095
Energy: 0.6800410574969191
Energy: 1.14588435800638
Energy: 0.6831567651244084
Energy: 1.6624898341725738
Energy: 0.6831567651244084
Energy: 0.8441355222984983
Energy: 0.6803114839328299
Energy: 1.6571021856359927
Energy: 0.6803114839328299
Energy: 0.832350688286827
Energy: 0.6802140998459574
Energy: 2.0255470162861635
Energy: 0.6802140998453489
Energy: 0.840209401821572
Energy: 0.6818162634584749
Energy: 1.9000724732886725
Energy: 0.6818162634584749
Energy: 0.6815450423780279
Energy: 0.6801795743863134
Energy: 1.8998970505263286
Energy: 0.6801795743857048
Energy: 0.6816075392358131
Energy: 0.6807660384399201
Energy: 2.0262238818442224
Energy: 0.6807660384393116
Energy: 0.6809739701820648
Energy: 0.6805616215801016
Energy: 1.780321218487961
Energy: 0.6805616215630915
Energy: 0.8466220436487458
Energy: 0.6807695515760624
Energy: 2.0166902183380144
Energy: 0.6807695515766709
Energy: 0.8370391298549468
Energy: 0.6801736110503823
Energy: 2.030677428009923
Energy: 0.6801736110509907
Energy: 0.8409390559609263
Energy: 0.6801534748645157
Energy: 1.530545237102016
Energy: 0.6801534748639071
Energy: 1.1397009185700984
Energy: 0.6808707988561106
Energy: 2.019814488862019
Energy: 0.6808707988567191
Energy: 1.140677106900215
Energy: 0.6803541316769635
Energy: 1.7853287549482257
Energy: 0.6803541316769635
Energy: 1.3038339737405547
Energy: 0.6834090869209752
Energy: 1.5322562453480761
Energy: 0.6834090869209752
Energy: 1.406703345215066
Energy: 0.6806630462141827
Energy: 1.7946997811825884
Energy: 0.6806630462141827
Energy: 1.4076676375114456
Energy: 0.681560929295813
Energy: 1.534419671556313
Energy: 0.6815609292976383
Energy: 1.6649067567238294
Energy: 0.8043697856150129
Energy: 1.2732736425171378
Energy: 0.8043697856156216
Energy: 1.4046599383220046
Energy: 0.803594188191276
Energy: 1.550396079151663
Energy: 0.803594188191276
Energy: 1.6627262179956508
Energy: 0.6814483877455051
Energy: 1.2759572349671415
Energy: 0.681448387750373
Energy: 1.7956910089625198
Energy: 0.6822552413519533
Energy: 1.2776986028793782
Energy: 0.6822552413525618
Energy: 1.4016389626060235
Energy: 0.6844710019771867
Energy: 1.1417525745653465
Energy: 0.6844710019759699
Energy: 1.9082238186939577
Energy: 0.6801230028845288
Energy: 1.138084794670626
Energy: 0.6801230028857457
Energy: 1.9021941111903242
Energy: 0.6809359237968773
Energy: 1.1406357572705375
Energy: 0.6809359237956603
Energy: 1.6574975278813209
Energy: 0.6803144295285326
Energy: 0.8420230026719712
Energy: 0.680314429527924
Energy: 2.0295410802308624
Energy: 0.6799265828340401
Energy: 0.8347623734018467
Energy: 0.6799265828346486
Energy: 1.8998546585739475
Energy: 0.6804686199899984
Energy: 0.844218538742104
Energy: 0.68046861998939
Energy: 1.6553996167699163
Energy: 0.6807535114180897
Energy: 0.6804835536185024
Energy: 0.6807535114180897
Energy: 2.024246969413011
Energy: 0.6806424076239906
Energy: 0.681609112355549
Energy: 0.6806424076239906
Energy: 1.7800930506553467
Energy: 0.6809351052878361
Energy: 0.6808319860377656
Energy: 0.6809351052872274

minimum gb energy = 0.6799265828340401 eV
minimum distance =  2.2619127845743 Angstroms
sigma value = 113


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

Energy: 0.020313502294016975
Energy: 0.6202841775222441
Energy: 1.5569825031596565
Energy: 0.02111362861588762
Energy: 1.094405965326292
Energy: 0.16802971825592372
Energy: 1.0969816009694262
Energy: 0.1680297182568073
Energy: 0.021197480331190635
Energy: 0.16545084096555632
Energy: 1.095121889879903
Energy: 0.16545084096649185
Energy: 0.022906119598200443
Energy: 0.16668503283309424
Energy: 1.0917776477085461
Energy: 0.16668503283402977
Energy: 1.0964755262670594
Energy: 0.16686180649085613
Energy: 1.0962122323590948
Energy: 0.16686180649127197
Energy: 0.020906150738192974
Energy: 0.16502436152206357
Energy: 1.0946733158442954
Energy: 0.16502436152253133

minimum gb energy = 0.020313502294016975 eV
minimum distance =  2.45747536552496 Angstroms
sigma value = 1