Model name: model_name=MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.623951092362404
cohesive_energy=4.187902403425222
mass=55.845
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=[1.86680814863778e-19, 2.6669992467227396e-19, 3.28111355053494e-19, 3.78113685624e-19, 4.2013557438055194e-19, 4.56106041990486e-19, 4.8725395793208e-19, 5.144284758213539e-19, 5.38241627132496e-19, 5.591628496192679e-19, 5.775510308476859e-19, 5.93697766965138e-19, 6.078385779368219e-19, 6.20167327135452e-19, 6.30850640930964e-19, 6.40026306513882e-19, 6.4781769148502395e-19, 6.543273351489659e-19, 6.59644959397212e-19, 6.63855479591364e-19, 6.67027789326684e-19, 6.692259756685321e-19, 6.705061147990979e-19, 6.709226807239379e-19, 6.704772756196859e-19, 6.690369188257199e-19, 6.66431779618836e-19, 6.62456779389882e-19, 6.568731938203919e-19, 6.49384620233076e-19, 6.396401819450879e-19, 6.272072912652479e-19, 6.115668429641399e-19, 5.92077966388164e-19, 5.67950788456758e-19, 5.3820317489328e-19, 5.016030518661839e-19, 4.56593103687222e-19, 4.0118342697696596e-19, 3.32799323884578e-19, 2.4807301912538996e-19, 1.425493401332382e-19, 1.0260355185902339e-20, -1.5694585849570858e-19, -3.7043445301723794e-19, -6.46640091659034e-19, -1.0113531719162578e-18, -1.507986271863774e-18, -2.21478489177624e-18, -3.2838052072800596e-18, -5.0368748366701795e-18, -8.226680340833459e-18, -1.482769613821248e-17, -3.0714046509106796e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016072930069611507
Energy: -4.348460849337082
Energy: -3.402027223111566
Energy: 0.016450020457939297
Energy: -4.348460849337082
Energy: -2.5218999550832844
Energy: 0.016450020457939297
Energy: -2.5044189958448393
Energy: -3.3680240290853307
Energy: 0.01645002045856342
Energy: 0.016072930069611507
Energy: -4.348460849337082
Energy: 0.016450020457939297
Energy: -2.56463298078665
Energy: -4.348460849337082
Energy: -2.545825637851393

minimum gb energy = -4.348460849337082 eV
minimum distance =  2.45317754268578 Angstroms
sigma value = 1


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

Energy: -3.143045968542999
Energy: -2.8454513880243213
Energy: -3.0643668837298152
Energy: -3.0499144703390138
Energy: -2.794133981685347
Energy: -2.8859897451702423
Energy: -3.2330727324646293
Energy: -3.0673414507129797
Energy: -2.9654383628349126
Energy: -2.7696698454454576
Energy: -3.2632265309302597
Energy: -2.8457867240973282
Energy: -2.913346006596233
Energy: -3.2923869747532537
Energy: -3.3129905532513404
Energy: -3.3209018126101544
Energy: -3.4775796342190595
Energy: -3.231586503223381
Energy: -3.144805156077198
Energy: -3.3035976417765975
Energy: -3.2583768301670712
Energy: -3.1606385595786097
Energy: -3.124754725544506
Energy: -3.251305886498073
Energy: -3.2382965461594204
Energy: -3.1695537287971276
Energy: -3.2761775179806376
Energy: -3.1870842913761033
Energy: -3.1212992593380524
Energy: -3.1142132281564443
Energy: -3.1637622477462077
Energy: -3.1776050170921426
Energy: -3.319009051176326
Energy: -3.4137926401702545
Energy: -2.940693445224763
Energy: -3.4137891616293956
Energy: -3.1728330196777583
Energy: -3.239272349318852
Energy: -3.1129149092544024
Energy: -3.23927234745083
Energy: 0.2972119964466354
Energy: -3.3583744308719012
Energy: -2.9993315770750213
Energy: -3.3583744327595344
Energy: -3.3104303868500713
Energy: 0.7369275384452617
Energy: -2.916681261795554
Energy: 0.7369275384452617
Energy: -3.125802384883832
Energy: -3.273433716486463
Energy: -3.2501265348929245
Energy: -3.1665131599458713
Energy: -3.190189096992445
Energy: -3.1332758436153436
Energy: -3.164437848315574
Energy: -3.2353427328362776
Energy: -3.460472943337585
Energy: -3.2478532612610853
Energy: -3.1735862906970116
Energy: -3.2126945177755046
Energy: -3.019197239138703
Energy: -3.3841313992491067
Energy: -3.279972151328166
Energy: -3.237820082456066
Energy: -3.3132534642205806
Energy: -2.8709745013853563
Energy: -3.1104377146053683
Energy: -2.866888155367099
Energy: -3.324028610270481
Energy: -2.853849002235179
Energy: -3.0727183709358257
Energy: -3.046068627526026
Energy: -3.2702457771628475
Energy: -2.9689905222219157
Energy: -3.0025426938125923
Energy: -2.88930807778229
Energy: -3.0683993780172383
Energy: -2.9646747838243277
Energy: -2.8860605253483254
Energy: -2.7859050444828326
Energy: -3.242707277145137
Energy: -3.12932610021509
Energy: -3.3795311388596003
Energy: -3.1293261063154922
Energy: -3.1101968045607693
Energy: -3.2775313220542373
Energy: -3.3871225293059184
Energy: -3.183027938158676
Energy: -3.2029121706110795
Energy: -3.3415593483402417
Energy: -3.3544274553031688
Energy: -3.2836195350850788
Energy: -2.9606853990180206
Energy: -3.1917292401260964
Energy: -3.2152691014808994
Energy: -3.262655281179863
Energy: -2.8585536906106435
Energy: -3.4100750402012707
Energy: -3.356595985394184
Energy: -3.410075033525881
Energy: -2.9748098880588065
Energy: -3.264900794459587
Energy: -3.2670569868072885
Energy: -3.264900795123135
Energy: -2.9499617418341297
Energy: -3.284818459358883
Energy: -3.2740745096159114
Energy: -3.2848184596289673
Energy: -3.1419565249847854
Energy: -3.164368826428103
Energy: -3.1377096293361935
Energy: -3.151623416608419
Energy: -3.4881795660183474
Energy: -3.0937437574449023
Energy: -3.1511734354185026
Energy: -3.092639591719744
Energy: -3.2974900233598587
Energy: -3.161326688759488
Energy: -3.1556129969073905
Energy: -3.1803879506981536
Energy: -3.230527105345671
Energy: -3.3037207130779707
Energy: -3.4359067550946225
Energy: -3.4869954674204964
Energy: -3.41146244480122
Energy: -3.1761175653294633
Energy: -2.982223369091367
Energy: -3.324085258310211
Energy: -3.089795659783889
Energy: -2.88379544499197
Energy: -3.025156512647871
Energy: -2.807724079215175

minimum gb energy = -3.4881795660183474 eV
minimum distance =  2.18726611355056 Angstroms
sigma value = 1


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

Energy: -2.087256546819701
Energy: -2.3647286093404176
Energy: -2.220561665379623
Energy: -2.343122570872895
Energy: -2.477802837158888
Energy: -2.1552863572680567
Energy: -2.3328133740848855
Energy: -2.162487666386078
Energy: -2.2357847286934978
Energy: -2.380364456570287
Energy: -2.3862814113722166
Energy: -2.478452200127661
Energy: -2.538481760060809
Energy: -2.3682269110726466
Energy: -2.396633075586052
Energy: -2.4788829369568717
Energy: -2.2796126831787555
Energy: -2.4170154698741335
Energy: -2.228580902802726
Energy: -2.465153526337717
Energy: -2.276407118583874
Energy: -2.4384373093349683
Energy: -2.4638680258529777
Energy: -2.4098334167053017
Energy: -2.1428418728948033
Energy: -2.334962555754988
Energy: -2.351133350678018
Energy: -2.3629900371676453
Energy: -2.158490491941403
Energy: -2.391812625241689
Energy: -2.24754906407203
Energy: -2.410942654491682
Energy: -2.1983270795201824
Energy: -2.3596304360306664
Energy: -2.098022204538796
Energy: -2.3597760115542985
Energy: -2.2752277673889076
Energy: -2.3072097464306225
Energy: -2.276279812775189
Energy: -2.4361134719309825
Energy: -2.3780128618959027
Energy: -2.402012835196341
Energy: -2.1796399579602834
Energy: -2.3568468259538804
Energy: -2.3896091606242287
Energy: -2.2881554352879188
Energy: -2.3566656482399084
Energy: -2.321183652384611
Energy: -2.5219076649033014
Energy: -2.426097997305304
Energy: -2.5439397243932773
Energy: -2.373202370950078
Energy: -2.418555714590502
Energy: -2.5270581048463776
Energy: -2.6254631583714025
Energy: -2.5838272142516754
Energy: -2.3263776268196334
Energy: -2.294194178758809
Energy: -2.307125873866037
Energy: -2.4420356418587974
Energy: -2.2054559416748076
Energy: -2.4713268321776987
Energy: -2.4251221018487064
Energy: -2.5208253724546914
Energy: -2.22002058342788
Energy: -2.3277172884299424
Energy: -2.4488466629530397
Energy: -2.3389559626179746
Energy: -2.5348092132426383
Energy: -2.425988035911051
Energy: -2.3738924301158297
Energy: -2.558459180080991
Energy: -2.4094152821272665
Energy: -2.597649996666801
Energy: -2.3903895783518703
Energy: -2.4968730923470517
Energy: -2.3830093994715327
Energy: -2.399577030359821
Energy: -2.316436882702125
Energy: -2.3688944028373937
Energy: -2.2347065949537046
Energy: -2.301149361689162
Energy: -2.3561203429544566
Energy: -2.462924144789574
Energy: -2.196961680954267
Energy: -2.3764583237310113
Energy: -2.2906544204373915
Energy: -2.4339783559005324
Energy: -2.127594900319845
Energy: -2.3576166981293483
Energy: -2.051125704784079
Energy: -2.3653908047249095
Energy: -2.2442635536107813
Energy: -2.2699217012481334
Energy: -2.042790156430026
Energy: -2.3746870914250646
Energy: -2.438516127539327
Energy: -2.4174270618730334
Energy: -2.341969226717679
Energy: -2.3740325816257535
Energy: -2.332264042631557
Energy: -2.317325041394626
Energy: -2.3393993101539095
Energy: -2.317277236082229
Energy: -2.3636644541089273
Energy: -2.4572160144235986
Energy: -2.4810126687874527
Energy: -2.5491520478225
Energy: -2.4632955186888226
Energy: -2.480712379043851
Energy: -2.3831585619176714
Energy: -2.47627036668857
Energy: -2.397296138043592
Energy: -2.4353263069514073
Energy: -2.272436933020696
Energy: -2.6240006132255504

minimum gb energy = -2.6254631583714025 eV
minimum distance =  2.14275509512824 Angstroms
sigma value = 25


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

Energy: -1.2045048060481351
Energy: -1.6752191915908234
Energy: -1.4572712468218771
Energy: -1.4344841920978921
Energy: -1.590924787797822
Energy: -1.26601452060377
Energy: -1.4264468512290511
Energy: -1.4555392955408435
Energy: -1.6669252301873123
Energy: -1.5954773570139058
Energy: -1.412311033964145
Energy: -1.824499278638202
Energy: -1.5838580872164045
Energy: -1.585127379933871
Energy: -1.6086911941847126
Energy: -1.462901655045842
Energy: -1.314295654179814
Energy: -1.505149209608328
Energy: -1.42475067079228
Energy: -1.4418179820381019
Energy: -1.384334749102775
Energy: -1.5165222988926466
Energy: -1.4687730746493641
Energy: -1.5199844722014908
Energy: -1.2982224290352227
Energy: -1.3392476465732728
Energy: -1.3799211751179798
Energy: -1.4538240888742722
Energy: -1.1730990240087573
Energy: -1.2534214238354124
Energy: -1.339768751836611
Energy: -1.257805051089628
Energy: -1.3628258370746862
Energy: -1.3388513961861395
Energy: -1.2528252454353976
Energy: -1.3766294130613932
Energy: -1.4164107432711286
Energy: -1.2513572731409768
Energy: -1.4706504092328054
Energy: -1.2866454913823868
Energy: -1.708005903933115
Energy: -1.407557869119523
Energy: -1.4071825655312657
Energy: -1.5402754108368704
Energy: -1.4830385803562092
Energy: -1.4325546549213741
Energy: -1.3382342534873053
Energy: -1.4805633993625793
Energy: -1.5896822491216445
Energy: -1.4472528761424
Energy: -1.3142941301764304
Energy: -1.6112141836492737
Energy: -1.6845397518437304
Energy: -1.6530995241208377
Energy: -1.2319941610009164
Energy: -1.6444314371341946
Energy: -1.4750657404733674
Energy: -1.5406595994948293
Energy: -1.5367294164419545
Energy: -1.5546848266266007
Energy: -1.290006977079961
Energy: -1.4837560649558494
Energy: -1.5966651876980849
Energy: -1.5309093100210267
Energy: -1.4251958903963526
Energy: -1.487882769258948
Energy: -1.3231279915748313
Energy: -1.6573437974280503
Energy: -1.4987054549409793
Energy: -1.4073634930643695
Energy: -1.2906876051071698
Energy: -1.512736601334322
Energy: -1.4701526064478863
Energy: -1.3591840669067028
Energy: -1.377103809670273
Energy: -1.3665872029164894
Energy: -1.4398351629242832
Energy: -1.2574180306021723
Energy: -1.3116259392757144
Energy: -1.2852287916651595
Energy: -1.264636478194131
Energy: -1.3926120073437387
Energy: -1.2931554637837808
Energy: -1.4056570815961982
Energy: -1.1482826179146775
Energy: -1.2660841627058481
Energy: -1.3439667300926392
Energy: -1.3832698890101325
Energy: -1.397331949007065
Energy: -1.444255020344813
Energy: -1.4936162285624928
Energy: -1.4617551518587664
Energy: -1.3349652880499308
Energy: -1.4579453761868413
Energy: -1.5818591640359456
Energy: -1.4501818368061228
Energy: -1.3757327905045325
Energy: -1.443473586183843
Energy: -1.3464632435962787
Energy: -1.5143550654882936

minimum gb energy = -1.824499278638202 eV
minimum distance =  2.14128408470643 Angstroms
sigma value = 9


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

Energy: -0.2833918524070295
Energy: -0.764567160277532
Energy: -0.8454348182075097
Energy: -0.5849883594016645
Energy: -0.6760753671973437
Energy: -0.3764174639546912
Energy: -0.4641281148078658
Energy: -0.28346701487783704
Energy: -0.549147093571078
Energy: -0.591458280303748
Energy: -0.4197177683823262
Energy: -0.6227446694492256
Energy: -0.6903945133005971
Energy: -0.37227012666695036
Energy: -0.366363924518747
Energy: -0.24128387200939014
Energy: -0.2518486614794111
Energy: -0.5863994120747094
Energy: -0.36448626212455826
Energy: -0.45186512085264974
Energy: -0.49339566308528604
Energy: -0.5472632527304727
Energy: -0.5237581757647964
Energy: -0.5404076887984954
Energy: -0.2862135368986208
Energy: -0.08398698346330466
Energy: -0.5491479713716413
Energy: -0.1448579653925203
Energy: -0.5516953571791889
Energy: -0.17758303138931372
Energy: -0.47214816967837014
Energy: -0.31472708126958965
Energy: -0.36690841405607477
Energy: -0.4566505488459775
Energy: -0.636650235460746
Energy: -0.5836307420016468
Energy: -0.504491982428048
Energy: -0.4534566833095269
Energy: -0.555143762911866
Energy: -0.4917015696106214
Energy: -0.41599463593346897
Energy: -0.6935725409957114
Energy: -0.5778750963459026
Energy: -0.7521218294398554
Energy: -0.3631608882741388
Energy: -0.5675645727322489
Energy: -0.6183535029588272
Energy: -0.741834817066545
Energy: -0.6229281330513227
Energy: -0.6825978094614471
Energy: -0.42429455235557767
Energy: -0.5640289667126844
Energy: -0.5968546687377301
Energy: -0.6749146095070908
Energy: -0.5001334928188846
Energy: -0.7250699596367116
Energy: -0.22912894187492147
Energy: -0.5112300907685181
Energy: -0.4448936338841235
Energy: -0.6681829506631831
Energy: -0.45622949683136255
Energy: -0.5367217911111994
Energy: -0.5890981418710989
Energy: -0.4538055247335389
Energy: -0.1779429933948753
Energy: -0.18710148718200453
Energy: -0.35682676952379355
Energy: -0.18304131096864715
Energy: -0.15217992298453545
Energy: -0.24262587945185532
Energy: -0.42349901890429875
Energy: -0.13721772650679323
Energy: -0.4210212219469367
Energy: -0.4891403413866664
Energy: -0.6226764575752868
Energy: -0.4457453289270027
Energy: -0.42419668719010784
Energy: -0.4080814598897562
Energy: -0.7092155056617695
Energy: -0.41936627164081375
Energy: -0.34607239875946366
Energy: -0.6391729080974302
Energy: -0.6459975385295005
Energy: -0.6108746704689514

minimum gb energy = -0.8454348182075097 eV
minimum distance =  2.18212986216538 Angstroms
sigma value = 25


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

Energy: 0.9783405359387507
Energy: 0.25244982982784947
Energy: 0.19310755541018226
Energy: 0.4663692353195886
Energy: 0.25600336325461187
Energy: 0.32456590277626285
Energy: 0.3106590784935428
Energy: 0.30335682936695274
Energy: 0.2437626087398208
Energy: 0.18087362213785788
Energy: 0.7769070633329631
Energy: 0.2718436971224805
Energy: 0.28148599325607304
Energy: 0.9362496221940013
Energy: 0.3480947774048681
Energy: 0.9362496221954815
Energy: 0.9088708349947711
Energy: 0.5732566519759855
Energy: 0.41166367619895344
Energy: 0.538536230716895
Energy: 0.3621253243430159
Energy: 0.3248108297136991
Energy: 0.39458924576406346
Energy: 0.3589145916575939
Energy: 0.39003480552949904
Energy: 0.45300246629017327
Energy: 0.41894217896103536
Energy: 0.45300263541331093
Energy: 0.8528452791345601
Energy: 0.46819517696220353
Energy: 0.49103050257260156
Energy: 0.28595877639474304
Energy: 0.3396702375156257
Energy: 0.31195728560889807
Energy: 0.4368565281136417
Energy: 0.2600515597472148
Energy: 0.19596211598098112
Energy: 0.3426741773232406
Energy: 0.3949303575108644
Energy: 0.22382347673587819
Energy: 0.7765731374410746
Energy: 0.21862613063180886
Energy: 0.38522077738506744
Energy: 0.22949041558107616
Energy: 0.7754857567762744
Energy: 0.2616509005562954
Energy: 0.401984601164061
Energy: 0.1956163662536993
Energy: 0.44350573657565456
Energy: 1.0970727350632183
Energy: 0.9084664404467283
Energy: 1.097072735055818
Energy: 0.8813412844217503
Energy: 0.417980897364162
Energy: 0.2313612909261117
Energy: 0.350422340381284
Energy: 0.28637500568740815
Energy: 0.4107732654983721
Energy: 0.3652814472331229
Energy: 0.43957151529317096
Energy: 0.428345582592508
Energy: 0.48213950725275134
Energy: 0.43000325459211797
Energy: 0.34900090846720755
Energy: 0.40462173278914954
Energy: 0.31826966360966225
Energy: 0.39430681520660504
Energy: 0.3184405264447457

minimum gb energy = 0.18087362213785788 eV
minimum distance =  2.18629988555953 Angstroms
sigma value = 17


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

Energy: 0.7559590977646334
Energy: 0.4907649473277642
Energy: 0.6204446476365388
Energy: 0.4859993383961434
Energy: 0.4133969008051055
Energy: 0.7239083382922604
Energy: 0.4773792129202069
Energy: 0.7239083382939369
Energy: 0.7705993203079494
Energy: 0.7216942727025325
Energy: 0.7351852409814659
Energy: 0.7216942727016943
Energy: 0.7414198594010256
Energy: 0.7165454627756953
Energy: 0.4664585667111341
Energy: 0.7165455010313455
Energy: 0.6808461109874715
Energy: 1.2489636219652394
Energy: 0.7668912174928637
Energy: 1.2489636219652394
Energy: 0.797902766259396
Energy: 0.8949594666376512
Energy: 0.7155769170365897
Energy: 0.8949594666275922
Energy: 0.829055020226453
Energy: 0.7985231396158051
Energy: 0.8251045449604086
Energy: 0.7985231396116138
Energy: 0.6152153671694314
Energy: 0.8137887293358509
Energy: 0.36570527036756184
Energy: 0.8137887293375275
Energy: 0.5617546774180108
Energy: 0.4849840635638084
Energy: 0.7812309394369088
Energy: 0.4849840671599607
Energy: 0.7254353679286843
Energy: 0.7045866229466973
Energy: 0.6037364658713248
Energy: 0.7045866229458589
Energy: 0.8333695666461637
Energy: 0.5200282454448879
Energy: 0.5675494694439767
Energy: 0.5200282452538821
Energy: 0.7028649914088666
Energy: 0.5316536535265796
Energy: 0.7691308694398709
Energy: 0.5316536534746084
Energy: 0.7868720104835529
Energy: 0.5469645094294364
Energy: 0.5937818661079108
Energy: 0.5469645094260834
Energy: 0.7817928038241689
Energy: 0.5783538365007285
Energy: 0.5721211615241301
Energy: 0.5783538364948607
Energy: 0.7424313715741488
Energy: 0.6956510570895368
Energy: 0.701161177198924
Energy: 0.6956510570920516
Energy: 0.5284452020015421
Energy: 0.6846355851570645
Energy: 0.7014137586915703
Energy: 0.6846361477760448
Energy: 0.737131955329572
Energy: 0.8040108625687451
Energy: 0.3884724671037929
Energy: 0.8040108625679068
Energy: 0.7336334978229428
Energy: 0.803485212535812
Energy: 0.8282573651291397
Energy: 0.803485212540003
Energy: 0.771465287330485
Energy: 0.9072691388814871
Energy: 0.6804376711172763
Energy: 0.9072691388898695
Energy: 0.790242501508434
Energy: 0.6555113973608373
Energy: 0.6924378878352623
Energy: 0.6555113973616754
Energy: 0.7769127027437439
Energy: 0.7920377103317102
Energy: 0.6189251501246781
Energy: 0.7920377103283572
Energy: 0.47138722865674715
Energy: 0.4196616408614917
Energy: 0.8296140604302247
Energy: 0.41966164085730046
Energy: 0.5994225056392192
Energy: 0.7056416519926063
Energy: 0.4589394095490739
Energy: 0.7056416519926063
Energy: 0.7823354212824344
Energy: 0.7030399259581115
Energy: 0.7187975820366103
Energy: 0.7030399259564349
Energy: 0.4894565222466582
Energy: 0.8707653637308688
Energy: 0.6971662566939625
Energy: 0.8707653637300304
Energy: 0.5201451422284946
Energy: 0.5769877777027363
Energy: 0.8371823792030897
Energy: 0.5769877856633697
Energy: 0.5954184933449024
Energy: 0.5903354977337628
Energy: 0.797476237220518
Energy: 0.590335497741307
Energy: 0.4971167783054646
Energy: 0.5718433318879406
Energy: 0.7924892202566
Energy: 0.5718433352679396
Energy: 0.3711574646513903
Energy: 0.8744958362478582
Energy: 0.7927746092356629
Energy: 0.8744958344313406
Energy: 0.7063347364694722
Energy: 0.6997166095877915
Energy: 0.7011302920393999
Energy: 0.6997166095886297

minimum gb energy = 0.36570527036756184 eV
minimum distance =  2.24433669714744 Angstroms
sigma value = 53


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

Energy: 1.284263294844749
Energy: 0.8977899046713321
Energy: 0.956694624778182
Energy: 0.9907911601656387
Energy: 0.9230464077502611
Energy: 0.9161240494195925
Energy: 0.9243317590939172
Energy: 0.9161240485380744
Energy: 0.9023943303889057
Energy: 0.8977692399388874
Energy: 0.9518165800581757
Energy: 0.8977692403632651
Energy: 0.9032648537266246
Energy: 0.8975789759171594
Energy: 0.8939316373580102
Energy: 0.8975789670903987
Energy: 0.8962119250958779
Energy: 1.0686828173995957
Energy: 0.9916239891993399
Energy: 1.0686828173995957
Energy: 0.9041387869164158
Energy: 1.0873171055944284
Energy: 0.9895678253292848
Energy: 1.0873171055944284
Energy: 0.8151436574116876
Energy: 0.9010232637766286
Energy: 0.9031476938223797
Energy: 0.9010232640139048
Energy: 0.8154822771720831
Energy: 0.881739202056939
Energy: 0.8975752656920232
Energy: 0.8817391956374567
Energy: 0.902223187754352
Energy: 0.8984067719536859
Energy: 0.9156492611155751
Energy: 0.8984067718533808
Energy: 0.9230621119072147
Energy: 0.9161220725625355
Energy: 0.8996943048564001
Energy: 0.9161220762911483
Energy: 0.9298791659958225
Energy: 1.0887155535495676
Energy: 0.9910074696279594
Energy: 1.0887155535495676
Energy: 0.8967602593696627
Energy: 1.0681612640465301
Energy: 0.9951108470074883
Energy: 1.0681612640465301
Energy: 0.8153629760427447
Energy: 0.9186928990911163
Energy: 0.9293608411636967
Energy: 0.9186928993669883

minimum gb energy = 0.8151436574116876 eV
minimum distance =  2.27604476589053 Angstroms
sigma value = 9


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

Energy: 0.8969458662484766
Energy: 0.3592812728043171
Energy: 0.9085334020647737
Energy: 0.8690408818316375
Energy: 0.4536144647926734
Energy: 0.7782192395483308
Energy: 0.7968050591006403
Energy: 0.7782192395483308
Energy: 0.8635811831982706
Energy: 0.6552770797290978
Energy: 0.8419018686365534
Energy: 0.6552770797133843
Energy: 0.8505356067690805
Energy: 0.7280879654093814
Energy: 0.6401834876243044
Energy: 0.7280886729726153
Energy: 0.7652958729779084
Energy: 0.2459920482939449
Energy: 0.7754017465174762
Energy: 0.24599204824537613
Energy: 0.6433495511684261
Energy: 0.8566668464611403
Energy: 0.7887585991368531
Energy: 0.8566668464589976
Energy: 0.8557258277290188
Energy: 0.7584026330059911
Energy: 0.681163249191728
Energy: 0.7584026330067054
Energy: 0.8552990338351794
Energy: 0.7851571102968447
Energy: 0.8465040386687522
Energy: 0.7851571102989874
Energy: 0.6771377658982245
Energy: 0.30001230972329057
Energy: 0.7406509020343365
Energy: 0.3000123103187124
Energy: 0.9977744846205686
Energy: 0.19118487504306975
Energy: 0.8188858613808362
Energy: 0.191184875046641
Energy: 0.8954644987421613
Energy: 0.7383788971947343
Energy: 0.40427646544243173
Energy: 0.7383788971947343
Energy: 0.388498196129939
Energy: 0.6714177706420821
Energy: 0.7822416942892185
Energy: 0.6714177706363681
Energy: 0.8117988262530572
Energy: 0.7256706659931031
Energy: 0.38777242152251146
Energy: 0.7256706659923889
Energy: 0.7803545325968867
Energy: 0.7110933070381678
Energy: 0.8204412355606394
Energy: 0.7110933070374535
Energy: 0.8579260626268754
Energy: 0.5024167634866927
Energy: 0.36368082195351376
Energy: 0.5024167609022893
Energy: 0.6598620692331971
Energy: 0.9944274531032051
Energy: 0.3852968364701931
Energy: 0.9944274531046337
Energy: 0.8302823022418133
Energy: 0.43003311342407496
Energy: 0.9024859512271106
Energy: 0.4300331134269319
Energy: 0.7655363377482508
Energy: 0.6718741659843059
Energy: 0.8624824189205806
Energy: 0.6718741659843059
Energy: 0.7943684997586608
Energy: 0.7800890869102456
Energy: 0.4375704682797342
Energy: 0.7800890869095313
Energy: 0.8465653100250231
Energy: 0.6879676513909794
Energy: 0.8630465036530399
Energy: 0.6879676513909794
Energy: 0.6387694191352014
Energy: 0.35695893487954555
Energy: 0.8345387525076188
Energy: 0.3569589348809741
Energy: 0.7884618040129493
Energy: 0.24099605989055586
Energy: 0.81738646009016
Energy: 0.24099609849414735
Energy: 0.7666238735665758
Energy: 0.8440829251556528
Energy: 0.6575185000967747
Energy: 0.8440829251527957
Energy: 0.7090632208246098
Energy: 0.7610860233554414
Energy: 0.8553913710845646
Energy: 0.7610859445947075
Energy: 0.8429281106526337
Energy: 0.7836184724482684
Energy: 0.8583553415108182
Energy: 0.7836184724489828
Energy: 0.7310829465540561
Energy: 0.5617972051677029
Energy: 0.7365936353881459
Energy: 0.5617972003079702
Energy: 0.8118598205413174
Energy: 1.0629730526492174
Energy: 1.008392697283218
Energy: 1.0629730526485033
Energy: 0.27539187568913476
Energy: 0.7402633838039091
Energy: 0.8925343587617394
Energy: 0.7402633838046234
Energy: 0.7784255636697047
Energy: 0.4819253447221648
Energy: 0.3707203931610102
Energy: 0.4819253447221648
Energy: 0.3844207125871644
Energy: 0.7309651882460172
Energy: 0.8045523384762461
Energy: 0.7309651882460172
Energy: 0.7842589975082461
Energy: 0.7250789706286285
Energy: 0.8439702928029452
Energy: 0.7250789706279143
Energy: 0.366007198287382
Energy: 0.5978908203686638
Energy: 0.8600095055761502
Energy: 0.5978908203686638
Energy: 0.3090676191681457
Energy: 1.0025887343447857
Energy: 0.6864248677989493
Energy: 1.0025887343440714
Energy: 0.7102949978953252
Energy: 0.4617974063766575
Energy: 0.8731159485880257
Energy: 0.4617974063845142
Energy: 0.8629834983814028
Energy: 0.7253077966396361
Energy: 0.7982509493247354
Energy: 0.7253077966396361

minimum gb energy = 0.19118487504306975 eV
minimum distance =  2.24778107375448 Angstroms
sigma value = 73


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

Energy: 0.8969382400444228
Energy: 0.49283503591140215
Energy: 0.7574964666046189
Energy: 0.7912846275348511
Energy: 0.6060880562258151
Energy: 0.8216776548682141
Energy: 0.7585968100863191
Energy: 0.8216776554628921
Energy: 0.7245700057671819
Energy: 0.12021441221508916
Energy: 0.8096859954002082
Energy: 0.12021441220262384
Energy: 0.7478633596030322
Energy: 0.09676670250885586
Energy: 0.7604629075474202
Energy: 0.08849598500485092
Energy: 0.7439832090602613
Energy: 0.3599581265630786
Energy: 0.7475801661722222
Energy: 0.35995812646907366
Energy: 0.5769537185561617
Energy: 0.6326707649462161
Energy: 0.7543403458086878
Energy: 0.6326707583810396
Energy: 0.8447030056037722
Energy: 0.6973834413098056
Energy: 0.7495158077445332
Energy: 0.6973834337093384
Energy: 0.8567280506730371
Energy: 0.8128143819558922
Energy: 0.8528472318812244
Energy: 0.8128143819400273
Energy: 0.8376687262677774
Energy: 0.5909567896547174
Energy: 0.6073219939126242
Energy: 0.5909567947552969
Energy: 0.7341908677039805
Energy: 0.05491600694088318
Energy: 0.8300504859431256
Energy: 0.1452844766698014
Energy: 0.8445765823861147
Energy: 0.8561928306455988
Energy: 0.8479608548932835
Energy: 0.8561928288853627
Energy: 0.8755389145373093
Energy: 0.8545612756732766
Energy: 0.8558834392725135
Energy: 0.854561273722764
Energy: 0.8083302009576787
Energy: 1.0019422669900488
Energy: 0.8732947700949284
Energy: 1.0019422669775835
Energy: 0.8127095489050217
Energy: 0.4005628008870846
Energy: 0.5727663008797954
Energy: 0.4005627967221247
Energy: 0.8028382795900929
Energy: 0.6931353515945872
Energy: 0.6661181881352912
Energy: 0.6931352578007793
Energy: 0.7338398813929942
Energy: 0.1544561940617553
Energy: 0.6541003308305016
Energy: 0.15445619492147558
Energy: 0.7736731455076206
Energy: 0.7815824151513252
Energy: 0.47452490640005934
Energy: 0.7815824150097256
Energy: 0.5391147295042534
Energy: 0.7493483723037921
Energy: 0.3688797046789296
Energy: 0.7493483722550899
Energy: 0.7724390449970087
Energy: 0.7169995065324047
Energy: 0.8166438044808397
Energy: 0.7170005396689569
Energy: 0.5480366829432715
Energy: 0.5357200925530509
Energy: 0.7599709645195885
Energy: 0.5357200925156808
Energy: 0.7172754900786547
Energy: 0.7434687342799916
Energy: 0.7692885272085211
Energy: 0.7434687336830472
Energy: 0.8505271310630861
Energy: 0.7421818629866678
Energy: 0.7178365404520214
Energy: 0.742181863013839

minimum gb energy = 0.05491600694088318 eV
minimum distance =  2.25449341494626 Angstroms
sigma value = 7


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

Energy: 0.9018429903878559
Energy: 0.594692249636383
Energy: 0.6148868228240405
Energy: 0.6498873386825204
Energy: 0.6854038059699431
Energy: 0.44852405216650554
Energy: 0.7053570994322002
Energy: 0.44852404891704917
Energy: 0.6148850233642804
Energy: 0.46868022412387184
Energy: 0.790797682918899
Energy: 0.46868022412307053
Energy: 0.6409467362411069
Energy: 0.5450557400719769
Energy: 0.7249531425118074
Energy: 0.5450557412277438
Energy: 0.5615450727066049
Energy: 0.6419197219941418
Energy: 0.8032618354288366
Energy: 0.6419197223345126
Energy: 0.7779593151019533
Energy: 0.5441104246772572
Energy: 0.8129070278935913
Energy: 0.5441104246187987
Energy: 0.7758449553217538
Energy: 0.46248925222904863
Energy: 0.683697105709318
Energy: 0.46248925223065124
Energy: 0.8311852190152454
Energy: 0.6656609692569706
Energy: 0.6384831926926413
Energy: 0.665660969255368
Energy: 0.7182945714615276
Energy: 0.3414727114438679
Energy: 0.40698839904699285
Energy: 0.3414727112508637
Energy: 0.6933141933143556
Energy: 1.2182575260230821
Energy: 0.47998697686158404
Energy: 1.218257526019877
Energy: 0.7199563331961569
Energy: 0.6673615166938659
Energy: 0.8419235532761704
Energy: 0.6673615166906607
Energy: 0.7158783939125151
Energy: 0.6936778852246026
Energy: 0.7971851660744833
Energy: 0.6936778852254037
Energy: 0.7380795393500867
Energy: 0.664110378447466
Energy: 0.7129324614929373
Energy: 0.6641103784466649
Energy: 0.687737744484476
Energy: 0.6267202870714657
Energy: 0.7992084646200627
Energy: 0.6267202870698632
Energy: 0.7035680905590274
Energy: 0.6257192084616882
Energy: 0.816396996626313
Energy: 0.6257177291027957
Energy: 0.858006895462717
Energy: 0.6667575870916344
Energy: 0.709120241239492
Energy: 0.666757587090833
Energy: 0.8368698836807182
Energy: 0.6918976925605361
Energy: 0.7671526914615807
Energy: 0.69189769246041
Energy: 0.573311921209082
Energy: 1.2208707667232424
Energy: 0.8493571705327706
Energy: 1.220870766722441
Energy: 0.4432165107138559
Energy: 0.3544696814784674
Energy: 0.7470296671172245
Energy: 0.3544696936272057
Energy: 0.6156431762475586
Energy: 0.6401249655625294
Energy: 0.7752280710647973
Energy: 0.6401249655617282
Energy: 0.48913533725877595
Energy: 0.49734417802692066
Energy: 0.8136037678772976
Energy: 0.4973441780253181
Energy: 0.817162644109905
Energy: 0.5602134545908952
Energy: 0.7631234912813726
Energy: 0.5602134545804782
Energy: 0.7775122907119942
Energy: 0.6351779691018686
Energy: 0.690546167250072
Energy: 0.6351779691683767
Energy: 0.764914600831284
Energy: 0.5396559430780816
Energy: 0.6192318568953307
Energy: 0.53965594307087
Energy: 0.7006984442932607
Energy: 0.4758890928725542
Energy: 0.6156888548234747
Energy: 0.4758890928517568
Energy: 0.8446902205141947
Energy: 0.4480563412680289
Energy: 0.6892314425687489
Energy: 0.44805634092441654
Energy: 0.680051533460867
Energy: 0.6262594095291929
Energy: 0.8367211546431791
Energy: 0.6262594095259878
Energy: 0.7209242917029611
Energy: 0.6868930929060496
Energy: 0.6874979803279083
Energy: 0.6868930929052484
Energy: 0.6215741876147166
Energy: 0.6390419185911983
Energy: 0.7346795460903521
Energy: 0.6390419185871917
Energy: 0.7050647491648495
Energy: 0.6935097064720643
Energy: 0.7989908229045236
Energy: 0.6935097064760708
Energy: 0.8579245119329619
Energy: 0.6178388737861021
Energy: 0.7151288367990668
Energy: 0.6178388737492788

minimum gb energy = 0.3414727112508637 eV
minimum distance =  2.24927866020388 Angstroms
sigma value = 29


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

Energy: 1.0328468619554225
Energy: 0.91650459833853
Energy: 0.8245414595125437
Energy: 0.8620327526693923
Energy: 0.8336448493404586
Energy: 0.9158195094368784
Energy: 0.8299255625784708
Energy: 0.9158168227400008
Energy: 0.8257476201407353
Energy: 0.9201952172156208
Energy: 0.8653385605354194
Energy: 0.9201952175459698
Energy: 0.8597710737541696
Energy: 0.8442347568741966
Energy: 0.828778317484315
Energy: 0.8442347568992862
Energy: 0.8281335209610106
Energy: 0.8419051477752696
Energy: 0.8605211605024257
Energy: 0.8419051477790841
Energy: 0.8348065731986903
Energy: 0.9207159428023732
Energy: 0.8602459025052005
Energy: 0.9207159420382784
Energy: 0.8630943737880622
Energy: 0.9195736738497021
Energy: 0.8358682637242061
Energy: 0.9195736740873228
Energy: 0.8328474930676267
Energy: 0.8301559420987302
Energy: 0.8496413220591825
Energy: 0.8301559418174745
Energy: 0.8470957383194031
Energy: 0.8284090641287228
Energy: 0.8354913200854507
Energy: 0.8284090641246291

minimum gb energy = 0.8245414595125437 eV
minimum distance =  2.28213332276103 Angstroms
sigma value = 5


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

Energy: 1.1316666652629386
Energy: 0.3151417673384766
Energy: 0.30105610420227263
Energy: 0.37437957668410804
Energy: 0.3293426971626217
Energy: 0.45796104266140825
Energy: 0.3936538166270574
Energy: 0.45796104266292215
Energy: 0.5188344162615487
Energy: 0.17282652593029127
Energy: 0.4365086341902688
Energy: 0.1728265258629249
Energy: 0.3571107950989928
Energy: 0.5105079172016559
Energy: 0.4445153188515391
Energy: 0.5105079172016559
Energy: 0.3075390230004078
Energy: 0.342634146337929
Energy: 0.8564895617348249
Energy: 0.34263414640371254
Energy: 0.46510486933910206
Energy: 0.3709859933894525
Energy: 0.8563850123528268
Energy: 0.37098599343032646
Energy: 0.45939904359226436
Energy: 0.3694550907199217
Energy: 0.5484163056541873
Energy: 0.36945509073733096
Energy: 0.537798878378499
Energy: 0.26872388676998415
Energy: 0.7019695942956593
Energy: 0.2687238866753685
Energy: 0.5419391215352444
Energy: 0.7034730439078937
Energy: 0.783669128098957
Energy: 0.7034730439078937
Energy: 0.7867836377920434
Energy: 0.6195598229548978
Energy: 0.6637146994301306
Energy: 0.6195598229533839
Energy: 0.5607958444209362
Energy: 0.6605117451119966
Energy: 0.6756048761769422
Energy: 0.6605117451127536
Energy: 0.98791604824585
Energy: 0.6321029776032379
Energy: 0.6802750852352677
Energy: 0.632102977602481
Energy: 0.9690831017223083
Energy: 0.6140167595052887
Energy: 0.4187727011139432
Energy: 0.6140167595052887
Energy: 0.5433716351581096
Energy: 0.2787219919088824
Energy: 0.6817505470873246
Energy: 0.27872199190358393
Energy: 0.48725141347044154
Energy: 0.3403252643942019
Energy: 0.6985336597098208
Energy: 0.3403252781345922
Energy: 0.5402633892555536
Energy: 0.38020995911019084
Energy: 0.3309735802524038
Energy: 0.38020995912608624
Energy: 0.36141805048404874
Energy: 0.3092224048888517
Energy: 0.21074824197942718
Energy: 0.3092224049818847
Energy: 0.46758475429065294
Energy: 0.34233083451758234
Energy: 0.2285262176949508
Energy: 0.3423308346794954
Energy: 0.4368034258221945
Energy: 0.4889638461981696
Energy: 0.49986234744275654
Energy: 0.4889638461974127
Energy: 0.47301281897327846
Energy: 0.48611861310931587
Energy: 0.32832351322371683
Energy: 0.4861186131115866
Energy: 0.8555824632507466
Energy: 0.3642341259531801
Energy: 0.190334578910744
Energy: 0.36423411956604074
Energy: 0.8576683544712997
Energy: 0.3379779367969252
Energy: 0.45565099238327095
Energy: 0.3379779367318297
Energy: 0.5127040389350864
Energy: 0.3664546454926973
Energy: 0.4873984279602979
Energy: 0.3664546334644713
Energy: 0.7546569524252174
Energy: 0.3492177354223474
Energy: 0.5131417197141922
Energy: 0.3492177354231043
Energy: 0.7850259170370375
Energy: 0.6953782568941038
Energy: 0.5649889733352448
Energy: 0.695378256891833
Energy: 0.5964188536389468
Energy: 0.6107916032102348
Energy: 0.7963081592953243
Energy: 0.6107916032109917
Energy: 0.6658122312834369
Energy: 0.6480154008454858
Energy: 0.5673794344844029
Energy: 0.6480154008454858
Energy: 0.6808681421532011
Energy: 0.6289289564279907
Energy: 0.4459932780991732
Energy: 0.6289290248326769
Energy: 0.568241345339732
Energy: 0.57710502837141
Energy: 0.9272575211385601
Energy: 0.5771050281278176
Energy: 0.6968542410951313
Energy: 0.2268957136571629
Energy: 0.5580037975538354
Energy: 0.22689571804608916
Energy: 0.7056487137739647
Energy: 0.339522600582619
Energy: 0.5188989237402322
Energy: 0.339522600572779
Energy: 0.4141423867918676
Energy: 0.3625144654581435
Energy: 0.5184542628881573
Energy: 0.362514465483122
Energy: 0.6034887807427725
Energy: 0.33669893573669535
Energy: 0.4337217835992865
Energy: 0.3366989318417659

minimum gb energy = 0.1728265258629249 eV
minimum distance =  2.26257673045123 Angstroms
sigma value = 1


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

Energy: 1.1067638953306627
Energy: 0.48908024621274626
Energy: 0.6569126925126341
Energy: 0.6195887724316912
Energy: 0.4890403037598496
Energy: 0.5148287341096328
Energy: 0.7840954417953582
Energy: 0.5148282027539794
Energy: 0.7938030871090648
Energy: 0.517247599186047
Energy: 0.7499756064142837
Energy: 0.5172475989265917
Energy: 0.41756271088310964
Energy: 0.4910659554992147
Energy: 0.7637030230546992
Energy: 0.4910659557607631
Energy: 0.4809260936409795
Energy: 0.5233359145364489
Energy: 0.8036661640072207
Energy: 0.5233359147519481
Energy: 0.5256571277747369
Energy: 0.521947248868339
Energy: 0.8112754363297666
Energy: 0.5219472521938763
Energy: 0.5233383094391405
Energy: 0.5237992190695889
Energy: 0.940454638664525
Energy: 0.5237992264300506
Energy: 0.5294920685725788
Energy: 0.8423796577774805
Energy: 1.1086785218534743
Energy: 0.8423796575379101
Energy: 0.4317983250350727
Energy: 0.697733206295759
Energy: 1.0884868014874078
Energy: 0.697733206244477
Energy: 0.7571509256732152
Energy: 0.5024541844930808
Energy: 0.539165833384433
Energy: 0.5024541764317948
Energy: 0.929768200556011
Energy: 0.5110713231246276
Energy: 0.5005543678949061
Energy: 0.5110713233150088
Energy: 1.1282924557761682
Energy: 0.517825926761979
Energy: 0.5273499475595465
Energy: 0.5178259268561232
Energy: 1.1288538292449117
Energy: 0.5166270507994678
Energy: 0.4660822078683533
Energy: 0.5166270508329106
Energy: 0.5133050939395966
Energy: 0.5397032952728298
Energy: 0.7867077388349957
Energy: 0.539703295274923
Energy: 0.43925893940076094
Energy: 0.5002579269996293
Energy: 0.7882599609334418
Energy: 0.5002579305700174
Energy: 0.42449438426538627
Energy: 0.4943380878525836
Energy: 0.48760064560378175
Energy: 0.4943380881088991
Energy: 0.48533527515744035
Energy: 0.489747073550572
Energy: 1.0393401355126608
Energy: 0.48974561820912516
Energy: 0.5275631632111003
Energy: 0.5490164575423445
Energy: 0.8298058225896763
Energy: 0.5490164577536574
Energy: 0.5238483872061419
Energy: 0.525129453112182
Energy: 1.040261123121779
Energy: 0.525129453114275
Energy: 0.5473411343028851
Energy: 0.6846743251238805
Energy: 1.1003253415692782
Energy: 0.6846743251144612
Energy: 0.7842969635386645
Energy: 0.5148182054002375
Energy: 0.49955959710942405
Energy: 0.5148182053908185
Energy: 0.782208878518842
Energy: 0.5245696274169934
Energy: 0.49590142837757895
Energy: 0.524569627517417
Energy: 0.6264897276669602
Energy: 0.519368991067233
Energy: 0.5198259372174414
Energy: 0.5193689857676188
Energy: 1.1140358070335785
Energy: 0.5217125356138504
Energy: 0.4993616106641845
Energy: 0.5217125356180368

minimum gb energy = 0.41756271088310964 eV
minimum distance =  2.26805622894697 Angstroms
sigma value = 17


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

Energy: 0.4942651793864929
Energy: 0.39427588542363257
Energy: 0.6869692684572775
Energy: 0.4986239524237902
Energy: -0.007329766526942417
Energy: 0.3761106920429381
Energy: 0.711929935950651
Energy: 0.3761106920429381
Energy: 0.9181854520306588
Energy: 0.38487333227798803
Energy: 0.6966019382956441
Energy: 0.38487333227798803
Energy: 0.9104265319128073
Energy: 0.5823737096299699
Energy: 0.6811809980902044
Energy: 0.5823737096338512
Energy: 0.4289580893437724
Energy: 0.5394248706618902
Energy: 0.7564170545045241
Energy: 0.539424870662537
Energy: 0.5937919041849472
Energy: 0.5396937067654148
Energy: 0.3100653525873555
Energy: 0.5396937067634742
Energy: 0.5884755260529755
Energy: 0.5436765194845156
Energy: 0.4834220968960071
Energy: 0.5436765281254141
Energy: 0.5852540168533946
Energy: 0.5447983962917263
Energy: 0.4158171835735512
Energy: 0.544798396293667
Energy: 0.5094646634718124
Energy: 0.5309777283873521
Energy: 0.3604438557843465
Energy: 0.5309777283860584
Energy: 0.6491311207253785
Energy: 0.5834665120931687
Energy: 0.6903753127826784
Energy: 0.583466512091228
Energy: 0.5436417448837854
Energy: 0.3455691571054856
Energy: 0.441713980651229
Energy: 0.34556915123258664
Energy: 0.5694192130285012
Energy: 0.36104424363442084
Energy: 0.6527643913689751
Energy: 0.36104424363377396
Energy: 0.564039871657734
Energy: 0.3495328023310296
Energy: 0.46749640559360994
Energy: 0.34953280233038275
Energy: 0.375302702483688
Energy: 0.3466102308243897
Energy: 0.45133443576181453
Energy: 0.3466102273089654
Energy: 0.9389130239926121
Energy: 0.33061584483935025
Energy: 0.49577145376956305
Energy: 0.3306158448380565
Energy: 0.25396910640864223
Energy: 0.38962366031958817
Energy: 0.32505487477004036
Energy: 0.38962366031958817
Energy: 0.4982967926873158
Energy: 0.41741114535796175
Energy: 0.7394065807132124
Energy: 0.4174111453599024
Energy: 0.48947088587864407
Energy: 0.33717301086340173
Energy: 0.09492872641450392
Energy: 0.3371729896911158
Energy: 0.5106284510729298
Energy: 0.3541974144484545
Energy: 0.4930357105066387
Energy: 0.35419741444910136
Energy: 0.22375741759449813
Energy: 0.3492550008175239
Energy: 0.6852955625718686
Energy: 0.3492550008155833
Energy: 0.7100076663847901
Energy: 0.37952947786937835
Energy: -0.012506585205524702
Energy: 0.37952947786937835
Energy: 0.7085904418585086
Energy: 0.4153726181630447
Energy: 0.921991907544503
Energy: 0.41537261816239784
Energy: 0.6662879350465489
Energy: 0.5874154207248318
Energy: 0.9170278093516642
Energy: 0.5874154207248318
Energy: 0.6993024157798671
Energy: 0.54242398198844
Energy: 0.029746794176532514
Energy: 0.54242398198844
Energy: 0.24677317559018627
Energy: 0.5256549854841104
Energy: 0.5966041428761719
Energy: 0.5256549919595946
Energy: 0.4832446961341429
Energy: 0.5642826279656465
Energy: 0.6101283063987115
Energy: 0.5642826279649997
Energy: 0.39813733877250934
Energy: 0.5404757754980867
Energy: 0.5788038312324694
Energy: 0.5404757754980867
Energy: 0.38449208298629683
Energy: 0.5956627417708839
Energy: 0.6320343442245555
Energy: 0.5956627417708839
Energy: 0.6925947181427202
Energy: 0.5828925585511225
Energy: 0.7061739520011823
Energy: 0.5828925585504757
Energy: 0.4638636908367231
Energy: 0.3914843084644213
Energy: 0.44638872514721334
Energy: 0.3914843084650682
Energy: 0.2953752703255879
Energy: 0.35338433062257635
Energy: 0.5660529212864837
Energy: 0.3533843306212826
Energy: 0.4800132720943084
Energy: 0.3555413782883394
Energy: 0.563470390695898
Energy: 0.3555413782883394
Energy: 0.4889559583109576
Energy: 0.37849466151389205
Energy: 0.3430433945077287
Energy: 0.37849466151389205
Energy: 0.4979203987306678
Energy: 0.3488968946681056
Energy: 0.9350147581083277
Energy: 0.3488968946674587
Energy: 0.3128902804960058
Energy: 0.3838974494851924
Energy: 0.290094788400898
Energy: 0.3838974494851924
Energy: 0.6973157145921753
Energy: 0.41670817961465223
Energy: 0.5067569521686494
Energy: 0.416708179615946
Energy: 0.34851159071074783
Energy: 0.3095964819748894
Energy: 0.4356547159268271
Energy: 0.30959648197618317
Energy: 0.5046307054670661
Energy: 0.356093353118917
Energy: 0.5042274850736411
Energy: 0.356093353118917

minimum gb energy = -0.012506585205524702 eV
minimum distance =  2.25646024089267 Angstroms
sigma value = 89


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

Energy: 1.2583417222139095
Energy: 0.36482709369593486
Energy: 0.3878679856806252
Energy: 0.4435254524781777
Energy: 0.3821236661470953
Energy: 0.49725687626882403
Energy: 0.31495381283376905
Energy: 0.49725688146598573
Energy: 0.4551433056481629
Energy: 0.5086830466438486
Energy: 0.31218785391925535
Energy: 0.5086830466556579
Energy: 0.47477146416248517
Energy: 0.5038479937594773
Energy: 0.3712093681654821
Energy: 0.503847735809767
Energy: 0.3629173172418243
Energy: 0.3058357322761093
Energy: 0.4805287389974
Energy: 0.36231152155615076
Energy: 0.40830783079573596
Energy: 0.4206448447421953
Energy: 0.4525310049890659
Energy: 0.4206448457099026
Energy: 0.37658248233625446
Energy: 0.4046441210061812
Energy: 0.3886029388756773
Energy: 0.4046441209994111
Energy: 0.3720188694986972
Energy: 0.3871543382632499
Energy: 0.454048739410898
Energy: 0.38715393941836695
Energy: 0.37756718541520096
Energy: 0.42036205606451066
Energy: 0.43367411156201074
Energy: 0.4203620551492335
Energy: 0.27841595150032034
Energy: 0.47476305511003325
Energy: 0.3826494033079844
Energy: 0.47476334225490735
Energy: 0.37638002891355615
Energy: 0.49676682419571205
Energy: 0.45726234064423976
Energy: 0.4967668264796351
Energy: 0.45622012447472027
Energy: 0.4220393671393447
Energy: 0.37683548900464525
Energy: 0.42203936979885687
Energy: 0.4770241191650143
Energy: 0.39377941923468274
Energy: 0.37998568180720405
Energy: 0.31697157610181703
Energy: 0.3576523149162941
Energy: 0.39812827987879135
Energy: 0.3587500304133012
Energy: 0.3981283130868418
Energy: 0.4085752734810969
Energy: 0.40266534618860433
Energy: 0.41123953736124974
Energy: 0.40266533929798376

minimum gb energy = 0.27841595150032034 eV
minimum distance =  2.29648736828137 Angstroms
sigma value = 13


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

Energy: 1.09619048698238
Energy: 0.27885851553237784
Energy: 0.523890677141539
Energy: 0.32507236688792446
Energy: 0.4764815719996655
Energy: 0.26488997666216374
Energy: 0.4648520336025838
Energy: 0.26488997666074493
Energy: 0.2158359604837837
Energy: 0.2677266930188504
Energy: 0.46882652190690943
Energy: 0.2677266930209786
Energy: 0.7751797049713575
Energy: 0.2445092971988795
Energy: 0.4163848464599707
Energy: 0.24450929602178476
Energy: 0.41826433457147494
Energy: 0.25859362264850533
Energy: 0.5138972566480625
Energy: 0.25859362264637703
Energy: 0.48106716029732316
Energy: 0.25868133536608684
Energy: 0.5618889941748552
Energy: 0.25868133536537746
Energy: 0.45008515052910686
Energy: 0.2719420504625353
Energy: 0.43387154683853757
Energy: 0.2719420504632447
Energy: 0.41781416451865816
Energy: 0.21365537790318065
Energy: 0.7284736114751393
Energy: 0.21365537790318065
Energy: 0.29712029530863926
Energy: 0.260346900598804
Energy: 0.49811340889738415
Energy: 0.26034690059525695
Energy: 0.32320503902726916
Energy: 0.19927415770341178
Energy: 0.5829300489972389
Energy: 0.1992741570439885
Energy: 0.2948347866703556
Energy: -0.0414058434949247
Energy: 1.0564745032065408
Energy: -0.04140584421116482
Energy: 0.30185815099919966
Energy: 0.3554546989334757
Energy: 0.6370492392864677
Energy: 0.3554546989334757
Energy: 0.4401521516002623
Energy: 0.40836944990650265
Energy: 0.3455260844909628
Energy: 0.40836944990863083
Energy: 0.37633856740562854
Energy: 0.38591307295259997
Energy: 0.6609121061072945
Energy: 0.38591307295259997
Energy: 0.38366895115050725
Energy: 0.20475470972739565
Energy: 0.41418416498277183
Energy: 0.20475470970398527
Energy: 0.4359307887286567
Energy: 0.1954374668898008
Energy: 0.31814721409778335
Energy: 0.19543746684298008
Energy: 0.9400925058976309
Energy: 0.26692768909124776
Energy: 0.3223302730261626
Energy: 0.26692768909337594
Energy: 0.37975385530611355
Energy: 0.2201712880104721
Energy: 0.30316228740064505
Energy: 0.2201712880104721
Energy: 0.6882682108191366
Energy: 0.2609194089169554
Energy: 0.4637902668870643
Energy: 0.26091940891624604
Energy: 0.5813483545076048
Energy: 0.2667181358916599
Energy: 0.4876575776528573
Energy: 0.2667181358923693
Energy: 0.5180254764602845
Energy: 0.07555753644227049
Energy: 0.46072197695249
Energy: 0.07555753644014226
Energy: 0.3803353127135163
Energy: 0.267987558573654
Energy: 0.49879664009127167
Energy: 0.267987558573654
Energy: 0.48086418907817713
Energy: 0.2112399180546858
Energy: 0.5051256691344918
Energy: 0.21123992570006206
Energy: 0.3411372339053941
Energy: 0.2250094224108426
Energy: 0.5299892900061297
Energy: 0.2250094108285964
Energy: 0.4329628172009169
Energy: 0.2127788936338633
Energy: 0.7718245022860277
Energy: 0.21277889363102565
Energy: 0.2744046141092123
Energy: 0.2147761760275138
Energy: 0.7793255590929314
Energy: 0.21477617602467622
Energy: 0.22781371825633445
Energy: 0.29302073361005954
Energy: 0.6376486144891357
Energy: 0.293020733607222
Energy: 0.31910269846462447
Energy: 0.25979204620193047
Energy: 0.5432299576298424
Energy: 0.2597920462005117
Energy: 0.4127113909601853
Energy: 0.25340203781980475
Energy: 0.8570136844681997
Energy: 0.25340201850492566
Energy: 0.5541847331825204
Energy: 0.38387328800930637
Energy: 0.40767243393517183
Energy: 0.383873288008597
Energy: 0.43801056894499446
Energy: 0.3734429356810864
Energy: 0.540960043584191
Energy: 0.3734429356775394
Energy: 0.4695379449742451
Energy: 0.2404246150665494
Energy: 0.4140381309643321
Energy: 0.24042461507009644
Energy: 0.3529085553609326
Energy: 0.204882151443669
Energy: 0.30096899051890336
Energy: 0.20488215139117308
Energy: 0.9041859951944202
Energy: 0.24371653528802223
Energy: 0.290268835034653
Energy: 0.2437165352838303
Energy: 0.6033528504582405
Energy: 0.2130476920766327
Energy: 0.29815237687934015
Energy: 0.21304769207308571

minimum gb energy = -0.04140584421116482 eV
minimum distance =  2.27965540526121 Angstroms
sigma value = 37


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

Energy: 0.7777970579228011
Energy: -0.14148197455419867
Energy: 0.0552988905543091
Energy: 0.14446109774308266
Energy: 0.5433686288039217
Energy: 0.0012861035088549504
Energy: 0.07172170519757014
Energy: 0.0012861036186449094
Energy: 0.6311402689744896
Energy: 0.007108119858155514
Energy: 0.11082865652508514
Energy: 0.012691528269265366
Energy: 0.6109853139820015
Energy: 0.1569186343690341
Energy: 0.13356346358708587
Energy: 0.15691863430803657
Energy: 0.48194179526927144
Energy: -0.1164725300576321
Energy: 0.5931514697607391
Energy: -1.3214552709109393
Energy: 0.24531701977239104
Energy: -0.0070437794770465455
Energy: 0.5979117414097637
Energy: -0.207767121288766
Energy: 0.25673006824368866
Energy: -0.027709575203356478
Energy: 0.7461892557217396
Energy: -0.027670491455711863
Energy: -0.9154142998384983
Energy: -0.22839280520707214
Energy: 0.9735037014804503
Energy: -0.06890314894465457
Energy: -1.3992726277900407
Energy: -0.30779815355447354
Energy: 0.9298901728923513
Energy: -0.17280362504478836
Energy: -1.386615844372437
Energy: -0.026413664830532278
Energy: 0.8171383036508699
Energy: -0.0936428849185705
Energy: -0.35299701931182365
Energy: 0.13037509303780925
Energy: 0.7778081553721191
Energy: -1.1572084137171577
Energy: 0.12743351692254845
Energy: 0.0012861034966499016
Energy: 0.5433716110473248
Energy: 0.0012861034844448532
Energy: -0.01484023714012952
Energy: -1.2877997189717112
Energy: 0.5225444752505085
Energy: 0.030575201723267754
Energy: 0.1673479600814319
Energy: 0.15691863435804954
Energy: 0.5943657913778069
Energy: 0.15691863432631645
Energy: 0.5931515025777289
Energy: 0.1404958185789978
Energy: 0.4818451325753262
Energy: 0.08630215637774617
Energy: 0.6739221999680588
Energy: -0.13925233626277114
Energy: 0.24531701745323767
Energy: -1.4533192279100395
Energy: 0.7479604609758135
Energy: -0.027645377604116707
Energy: 0.25673006829980416
Energy: -0.027695930116351058
Energy: 0.90875609532734
Energy: -0.0349556609757453
Energy: 0.02040269041787779
Energy: -0.15849849352523895
Energy: 0.7840513293854791
Energy: -1.4566810103402823
Energy: -0.2741590861721895
Energy: -0.10577084312411628
Energy: 0.8093316093040899
Energy: -1.5116826049246954
Energy: -0.03392895934700536
Energy: -0.24645029428152143

minimum gb energy = -1.5116826049246954 eV
minimum distance =  2.33945156171252 Angstroms
sigma value = 25


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

Energy: 0.8530065771618138
Energy: 0.020491173156513307
Energy: 0.01189695824122296
Energy: -0.09779141455501833
Energy: 0.6604991500477597
Energy: 0.05367213981552135
Energy: 0.34496769601544786
Energy: 0.053672141756026276
Energy: 0.8231594563360528
Energy: 0.3033409539064046
Energy: 0.35728708447944046
Energy: 0.30334095390545157
Energy: 0.6420431986030949
Energy: 0.2696749492016541
Energy: 0.6145672226957616
Energy: 0.26967494919974794
Energy: 0.6752111901536291
Energy: 0.23837129819832117
Energy: 0.4950260008291216
Energy: 0.23837126617279863
Energy: 0.5462647066479199
Energy: 0.2206746202880541
Energy: 0.5151470702459806
Energy: 0.2206718736612777
Energy: 0.5159696266359795
Energy: -0.15758977905744365
Energy: 0.4703270450135606
Energy: -0.15758972941870036
Energy: 0.5558975798640259
Energy: 0.021648498505290128
Energy: 0.9852540828806019
Energy: 0.021648498506243178
Energy: 0.19888837822691882
Energy: 0.06841807588163208
Energy: 0.8210883028376776
Energy: 0.06841807458699463
Energy: 0.18295805116868752
Energy: 0.09134011481134133
Energy: 0.6927329901352489
Energy: 0.09134011479895163
Energy: 0.1374549252878389
Energy: 0.03691240314481968
Energy: 0.8150631992951946
Energy: 0.03691240314386662
Energy: 0.24884253060438422
Energy: 0.1070073239495629
Energy: 0.6652047661198164
Energy: 0.1070073239495629
Energy: 0.12923525103352673
Energy: 0.1085101327312864
Energy: 0.8445769199017938
Energy: 0.10851013273033336
Energy: 0.3191058163851857
Energy: 0.04629558495656483
Energy: 1.0879054340810623
Energy: 0.04629558324470626
Energy: 0.34879306229613877
Energy: 0.10575295061055921
Energy: 0.649091802069346
Energy: 0.10575295061151228
Energy: 0.35536460999535907
Energy: 0.3256136744513803
Energy: 0.7815244185358717
Energy: 0.325613674820992
Energy: 0.49672002213813127
Energy: 0.3316573734186746
Energy: 0.6128052963646453
Energy: 0.33165737342153373
Energy: 0.45156477550426477
Energy: 0.3010467415599644
Energy: 0.6648205747281943
Energy: 0.3010467403844155
Energy: 0.5359107151040823
Energy: 0.2936986533016609
Energy: 0.5246764046792528
Energy: 0.2936986533264403
Energy: 0.6701258566492548
Energy: -0.40080462114057475
Energy: 0.525064989392743
Energy: -0.4093214085916132
Energy: 0.6616960290309758
Energy: 0.12171258041843461
Energy: 0.3072435887390954
Energy: 0.12171284989489038
Energy: 0.6451157874006876
Energy: 0.04651891027216364
Energy: 0.24302242010697309
Energy: 0.04651891035217687
Energy: 1.021096054605405
Energy: 0.03458651709871362
Energy: 0.365241971855609
Energy: 0.03458651364449875
Energy: 1.0107446916062321
Energy: -0.005999803338542133
Energy: 0.04618310736151104
Energy: -0.005999730249814395
Energy: 0.7246828438596694
Energy: 0.06832340566702773
Energy: 0.08498773779224635
Energy: 0.06832340567179299
Energy: 0.922345818179963
Energy: 0.05404462689550826
Energy: 0.07065855788187238
Energy: 0.054044626894555206

minimum gb energy = -0.4093214085916132 eV
minimum distance =  2.28387128917729 Angstroms
sigma value = 41


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

Energy: 0.54540729612369
Energy: -0.19194512720579154
Energy: -0.07334314673282231
Energy: -0.16558883718674497
Energy: 0.49517660453368034
Energy: -0.013698119557972425
Energy: 0.2110623423285707
Energy: -0.013698119557972425
Energy: 0.5236177663889926
Energy: 0.02188535185589693
Energy: 0.2636456411803828
Energy: 0.02188543523093128
Energy: 0.9003173159413563
Energy: 0.08682250174185438
Energy: 0.259058372277705
Energy: 0.08682250174732381
Energy: 0.44260306101399777
Energy: 0.08828928135254822
Energy: 0.20453931782047988
Energy: 0.08828928135254822
Energy: 0.4046396562131359
Energy: -0.6249054624844533
Energy: 0.2225373276459537
Energy: -0.6249054623751356
Energy: 0.37941815599400197
Energy: -0.5006545315759067
Energy: 0.2501859676519919
Energy: -0.5006545315774693
Energy: 0.31727139282819394
Energy: -0.5078254946603331
Energy: 0.6975871688661862
Energy: -0.5078254946564265
Energy: 0.5122052940826111
Energy: -0.02425301409983918
Energy: 0.29095892153409325
Energy: -0.02425301409983918
Energy: 0.406526922941038
Energy: 0.013439407349078896
Energy: 0.47882119050724875
Energy: 0.013439407559936353
Energy: 0.16934945565899326
Energy: -0.1114541638427461
Energy: 0.41222391956694066
Energy: -0.11145423321516898
Energy: 0.16418981513742043
Energy: -0.04057564878071113
Energy: 0.497468953731059
Energy: -0.04057565217730262
Energy: 0.2116823276598777
Energy: -0.0194751259162378
Energy: 0.7464372655043167
Energy: -0.01947512591701915
Energy: -0.1378654978391215
Energy: -0.06745743414483944
Energy: 0.7422409358222697
Energy: -0.06745743428619241
Energy: 0.01402399325991878
Energy: -0.016030987199371786
Energy: 0.49385329485530655
Energy: -0.016030987198625953
Energy: 0.002205078897555055
Energy: -0.027009489243582124
Energy: 0.7709431792066199
Energy: -0.027009489243582124
Energy: 0.06988755213520237
Energy: -0.04927827612676439
Energy: 0.8091095950761582
Energy: -0.04927827647901035
Energy: 0.23520545520797217
Energy: -0.024099970395522016
Energy: 0.5173216268681157
Energy: -0.024099968239924493
Energy: 0.17876362758960812
Energy: 0.08028503195933115
Energy: 0.6036969551872298
Energy: 0.08028503192967543
Energy: 0.04575437707747655
Energy: 0.08645513067524599
Energy: 0.6313947924849217
Energy: 0.08645513067446464
Energy: -0.026450818731479392
Energy: 0.07883094685414446
Energy: 0.3268415959241753
Energy: 0.07883094685492582
Energy: 0.26548143597155593
Energy: -0.49921538687340816
Energy: 0.36632158150293187
Energy: -0.49921538687106415
Energy: 0.36334087391321285
Energy: -0.6564428545657837
Energy: 0.4332449165864061
Energy: -0.6564428545634395
Energy: 0.6881554201280121
Energy: -0.5292673779105721
Energy: 0.25211400801609607
Energy: -0.5292673778840062
Energy: 0.32651833464216196
Energy: 0.08578846795129076
Energy: 0.19112776494219494
Energy: 0.08578846795129076
Energy: 0.58085024877945
Energy: 0.08213497216187327
Energy: 0.2517217892474244
Energy: 0.08213497216187327
Energy: 0.6249368893360533
Energy: 0.12718498102335418
Energy: 0.09643452733603002
Energy: 0.12718498102335418
Energy: 0.5165463106882606
Energy: -0.02601786845380876
Energy: 0.23666714150640378
Energy: -0.02601786846552898
Energy: 0.7776349761744883
Energy: -0.0571751279101746
Energy: 0.2539024067958229
Energy: -0.05717512790392381
Energy: 0.7099506718520371
Energy: -0.06356924318613617
Energy: -0.05787862387684939
Energy: -0.0635692431751973
Energy: 0.49979145157744287
Energy: -0.01658648489858771
Energy: -0.022306229760837508
Energy: -0.0165864855280702
Energy: 0.8035597964561663
Energy: -0.04808399742227066
Energy: -0.023408287907119667
Energy: -0.04808399742148932

minimum gb energy = -0.6564428545657837 eV
minimum distance =  2.28779876627748 Angstroms
sigma value = 15


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

Energy: 0.7332039780909025
Energy: -0.22419106549330065
Energy: -0.18386354239186287
Energy: -0.2997150680669531
Energy: 0.3929798061495687
Energy: -0.19119038631449378
Energy: 0.18970039885148732
Energy: -0.1911903863138319
Energy: 0.3772563933773294
Energy: -0.167770725777158
Energy: 0.182536671219489
Energy: -0.16777072577451033
Energy: 0.6157186316925192
Energy: -0.17935870810895507
Energy: 0.36806482668573365
Energy: -0.17935870811094082
Energy: 0.39774508021498434
Energy: -0.1552075547261933
Energy: 0.4349228240547166
Energy: -0.1552075547261933
Energy: 0.38724956163865315
Energy: -0.036158025452605554
Energy: 0.3109336567178323
Energy: -0.03615802545591511
Energy: 0.717153989629818
Energy: -0.07406679056311384
Energy: 0.25097840267897564
Energy: -0.07406679056377576
Energy: 0.3067587494933692
Energy: -0.16444967387189235
Energy: 0.5386078716354038
Energy: -0.1644496738554047
Energy: 0.2788528592298496
Energy: -0.02071945587734757
Energy: 0.2587114546903303
Energy: -0.02071945587734757
Energy: 0.27514269101935485
Energy: -0.12990584470588762
Energy: 0.26112039762987144
Energy: -0.12990584470853522
Energy: 0.27256397207394145
Energy: -0.0850649339000077
Energy: 0.41718511836070027
Energy: -0.0850649302776659
Energy: 0.3566324541596665
Energy: -0.18573611308481167
Energy: 0.22051437935187615
Energy: -0.18573611235965737
Energy: 0.23550989565508074
Energy: -0.16838458388662547
Energy: 0.5551916590170943
Energy: -0.16838458388662547
Energy: 0.08606116293551574
Energy: -0.17891606622699074
Energy: 0.6410069593610204
Energy: -0.17891606622500497
Energy: 0.10539480699040517
Energy: -0.16926845130281432
Energy: 0.38115962916417706
Energy: -0.16926845130347623
Energy: 0.029074340719521218
Energy: -0.3403881823230199
Energy: 0.7943487761697454
Energy: -0.34038818229786727
Energy: -0.12045547541636986
Energy: -0.2174639664140354
Energy: 0.7715512801518092
Energy: -0.21746396641337346
Energy: -0.09041064348749155
Energy: -0.17791243780106306
Energy: 0.36879518991411603
Energy: -0.17791243780040117
Energy: -0.10937231125379013
Energy: -0.2061124538356272
Energy: 0.727287755747975
Energy: -0.2061124538356272
Energy: 0.18244584137679262
Energy: -0.19199899540468895
Energy: 0.6579109562292605
Energy: -0.19199899540535087
Energy: 0.05277314941639576
Energy: -0.27037907959125596
Energy: 0.3917772062027543
Energy: -0.270379079924017
Energy: 0.16059999495401603
Energy: -0.17580705222419246
Energy: 0.5869335687377784
Energy: -0.17580705223213539
Energy: 0.23189732212432776
Energy: -0.21532861489527555
Energy: 0.6930926710687804
Energy: -0.21525704264993104
Energy: 0.47956275160072126
Energy: -0.154316623520244
Energy: 0.2387797139772724
Energy: -0.15431662352349337
Energy: 0.2702465402701012
Energy: -0.08615111626657043
Energy: 0.5121922456932343
Energy: -0.08615111626590853
Energy: 0.21433213724573721
Energy: -0.06919347121791922
Energy: 0.18384610686059918
Energy: -0.069193472532536
Energy: 0.5340471352843187
Energy: -0.12300281764761678
Energy: 0.24981461903963867
Energy: -0.12300281764960251
Energy: 0.3677429013986245
Energy: -0.21453672994266487
Energy: 0.6831226814264986
Energy: -0.21453672994200296
Energy: 0.43640977114065144
Energy: -0.07623222955104986
Energy: 0.25986604515074896
Energy: -0.07623222954972603
Energy: 0.5232343045815976
Energy: -0.09749985600996382
Energy: 0.34303773028575685
Energy: -0.09749985167504399
Energy: 0.3242427234063343
Energy: -0.17805637374286776
Energy: 0.35330765054532814
Energy: -0.17805637374485347
Energy: 0.6474505688338732
Energy: -0.1754181205347983
Energy: 0.23628612551212183
Energy: -0.17541812053347447
Energy: 0.5569088622112277
Energy: -0.16834620089512206
Energy: 0.1687141447213675
Energy: -0.16834620089512206
Energy: 0.39912907203284814
Energy: -0.2734061837065499
Energy: 0.13572470730325453
Energy: -0.2734061836761019
Energy: 0.716034947948141
Energy: -0.22317342012825628
Energy: 0.16800647380117686
Energy: -0.22317342013487537
Energy: 0.6039499856708764
Energy: -0.18236777374577395
Energy: -0.08634972875133325
Energy: -0.18236777374577395
Energy: 0.7185952727565103
Energy: -0.20561303122190877
Energy: -0.07930799759397246
Energy: -0.20561303122124683

minimum gb energy = -0.3403881823230199 eV
minimum distance =  2.27953807709745 Angstroms
sigma value = 85


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

Energy: 0.6942723205468749
Energy: -0.2955871121856546
Energy: -0.32419629496384433
Energy: -0.3585381291099765
Energy: 0.40242693108540495
Energy: -0.258112461278823
Energy: -0.048440855031694305
Energy: -0.2581124612730822
Energy: 0.6573340344772982
Energy: -0.29871580868296266
Energy: -0.0026474498915803595
Energy: -0.29871580864797004
Energy: 0.7834502609711995
Energy: -0.3257466307355371
Energy: 0.19540256795654232
Energy: -0.325746639860468
Energy: 0.3986032902726468
Energy: -0.2558213403029332
Energy: 0.2778012397437919
Energy: -0.2558213403023591
Energy: 0.5885127992846583
Energy: 0.037817954857813224
Energy: 0.16073040373933078
Energy: 0.03781795509422865
Energy: 0.4705020938233432
Energy: 0.06400724936792732
Energy: 0.2560032913800314
Energy: 0.06400724936677918
Energy: 0.24114921160298372
Energy: 0.023152185607169994
Energy: 0.30122805947463965
Energy: 0.023152163324520417
Energy: 0.5413883940803597
Energy: 0.2278769572683186
Energy: 0.27397319015205096
Energy: 0.227876957271189
Energy: 0.5461664755485628
Energy: 0.21602048670235538
Energy: 0.3616690529928599
Energy: 0.21602048667195536
Energy: 0.2817830495963529
Energy: 0.3206483275131585
Energy: 0.4028971964969585
Energy: 0.3206483275131585
Energy: 0.4925899063149547
Energy: 0.3470753498026628
Energy: 0.3877253054927897
Energy: 0.3470753496603438
Energy: 0.36836022380204014
Energy: 0.06471004398810534
Energy: 0.4906579795011241
Energy: 0.06471004474669616
Energy: 0.16616662410125776
Energy: 0.036392294276923656
Energy: 0.629978727936072
Energy: 0.03639229427634959
Energy: 0.12836287646258868
Energy: -0.30797965775804464
Energy: 0.43442153539445894
Energy: -0.3079796577184593
Energy: 0.1295385222794691
Energy: -0.3047735818013526
Energy: 0.6802526289642705
Energy: -0.3047735817829822
Energy: -0.0001642945418511098
Energy: -0.2921069644383954
Energy: 0.6061084810834884
Energy: -0.29210696444758066
Energy: -0.06268537718171692
Energy: -0.2758667255983268
Energy: 0.42983815507621054
Energy: -0.2758667255352044
Energy: -0.0661848066389381
Energy: -0.2660634920740484
Energy: 0.8138087788607291
Energy: -0.2660634920734743
Energy: -0.23445046910663675
Energy: -0.300493825107377
Energy: 0.8239641452784795
Energy: -0.300493825077525
Energy: -0.2748418768875289
Energy: -0.24378281386463782
Energy: 0.454256433550864
Energy: -0.24378281386693415
Energy: -0.31188222068722876
Energy: -0.33961883609513593
Energy: 0.6284541309447429
Energy: -0.33961883613644345
Energy: 0.006462366532683534
Energy: -0.36346942689671313
Energy: 0.8472331076945606
Energy: -0.3634694270843581
Energy: -0.020304813083578864
Energy: -0.3261575011272077
Energy: 0.36405088400734925
Energy: -0.32615750101129626
Energy: -0.03783421993665128
Energy: -0.33850237888513596
Energy: 0.5884672354309765
Energy: -0.3385023788558841
Energy: 0.20424913659654625
Energy: -0.27780918261163
Energy: 0.571264625116148
Energy: -0.2778091825944077
Energy: 0.2700460084988582
Energy: 0.04469082551473559
Energy: 0.5285518436482055
Energy: 0.04469082551645782
Energy: 0.2696649318477314
Energy: -0.008285871175039896
Energy: 0.6382291413886395
Energy: -0.008285871177910282
Energy: 0.3050693058423724
Energy: 0.0382600841661155
Energy: 0.4308910180936517
Energy: 0.03826008419194898
Energy: 0.3386275016495059
Energy: 0.1618978446172561
Energy: 0.3865308854899515
Energy: 0.16189784702386598
Energy: 0.36070831657244834
Energy: 0.29277151037459026
Energy: 0.49887197691628526
Energy: 0.29277151037459026
Energy: 0.5226013213638717
Energy: 0.288868749305717
Energy: 0.27969636655787256
Energy: 0.2888687493062911
Energy: 0.2851697568403563
Energy: 0.415721047283066
Energy: 0.25520638194020656
Energy: 0.41572025470763496
Energy: 0.3775472883303033
Energy: 0.07017745841269414
Energy: 0.43737212378721746
Energy: 0.07017745851083525
Energy: 0.48804130499410964
Energy: -0.015468677557924776
Energy: 0.24854419798329883
Energy: -0.015468677568258166
Energy: 0.45119117773943984
Energy: 0.047872300589294384
Energy: 0.28192666926750226
Energy: 0.04787230059446108
Energy: 0.6375706058844515
Energy: -0.28413969985928883
Energy: 0.16470953462094176
Energy: -0.2841396998707443
Energy: 0.5533316216166069
Energy: -0.3367073150851741
Energy: -0.028746207113437512
Energy: -0.33670731508689633
Energy: 0.4420964574240121
Energy: -0.2704699243149052
Energy: -0.0865840726056529
Energy: -0.2704699256731457
Energy: 0.8480943594683834
Energy: -0.27544817144297373
Energy: 0.012390143932702847
Energy: -0.27544816981157677
Energy: 0.5555669393134055
Energy: -0.31131329191453516
Energy: -0.29680056088982476
Energy: -0.3113132919329056
Energy: 0.38403523440532367
Energy: -0.24128883440529345
Energy: -0.27231259618926457
Energy: -0.2412888344322751
Energy: 0.7777894808091185
Energy: -0.27626824590195587
Energy: -0.2350300375905506
Energy: -0.27626824612404544

minimum gb energy = -0.3634694270843581 eV
minimum distance =  2.27867311260989 Angstroms
sigma value = 113


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

Energy: 0.018184444553126875
Energy: 0.37437502113248655
Energy: 1.3055514082478892
Energy: 0.01878187631474822
Energy: -2.2060834673116063
Energy: -3.2192819738717136
Energy: -2.247474615444675
Energy: -3.21319262611414
Energy: -0.0746658767056306
Energy: -3.2205457631216556
Energy: -2.258645234685326
Energy: -3.2041856195030918
Energy: 0.018255056865401874
Energy: -3.204726175446313
Energy: -2.3586146297701296
Energy: -3.3115437096248512
Energy: -2.318562661643248
Energy: -3.126998382522022
Energy: -2.3372315635530483
Energy: -3.181430948706642
Energy: -0.04230379329926749
Energy: -3.2476997968289627
Energy: -2.357697375566669
Energy: -3.3200231087206196

minimum gb energy = -3.3200231087206196 eV
minimum distance =  2.43889952352117 Angstroms
sigma value = 1