Model name: model_name=SNAP_ZuoChenLi_2019quadratic_Mo__MO_692442138123_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.170121654868126
cohesive_energy=6.626793453681482
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -4.22544605584842 eV

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

Energy: 0.016667355033083787
Energy: 0.017167967237500328
Energy: 4.6908279743350185
Energy: 0.017167967237500328
Energy: 0.01716796723673003
Energy: 0.017564438714397546
Energy: 1.4769558843510544
Energy: 0.017564438714397546
Energy: 4.6908279743350185
Energy: 1.4769558843510544
Energy: 1.4748463158493172
Energy: 1.4769558843510544
Energy: 0.01716796723673003
Energy: 0.017564438714397546
Energy: 1.47695588435187
Energy: 0.017564438714397546

minimum gb energy = 0.016667355033083787 eV
minimum distance =  2.7389120070817 Angstroms
sigma value = 1


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

Energy: 2.2110974079467938
Energy: 1.9924424119631725
Energy: 3.737272140155242
Energy: 1.9924424119621833
Energy: 2.4305335673073722
Energy: 1.7302371451443848
Energy: 1.8008838928634878
Energy: 1.7302371451433958
Energy: 2.7094701350492407
Energy: 1.7603564786371506
Energy: 1.7272568388894807
Energy: 1.7603564786371506
Energy: 2.1668680658343162
Energy: 1.7364223046258063
Energy: 1.760174195619802
Energy: 1.7364223046267955
Energy: 2.170089727600492
Energy: 1.7363170952810743
Energy: 2.212430339760686
Energy: 1.7363170952810743
Energy: 2.4069165845880742
Energy: 1.7195971797179515
Energy: 1.716956693912214
Energy: 1.7195971797189407
Energy: 1.9386468165413
Energy: 1.8339480479774524
Energy: 1.7172039490246684
Energy: 1.8339480479774524
Energy: 1.73218972123538
Energy: 1.712305000318744
Energy: 2.2126580166804684
Energy: 1.712305000318744
Energy: 1.938934003596956
Energy: 1.9284057372503014
Energy: 2.159915112707813
Energy: 1.9284057372503014
Energy: 2.4701562750631014
Energy: 1.717459312679959
Energy: 1.9180697993112517
Energy: 1.7174593126789701
Energy: 1.7267363736957198
Energy: 1.8513627835145783
Energy: 2.1654203583904144
Energy: 1.8513627835145783
Energy: 1.7340593168200784
Energy: 1.7272549980642518
Energy: 3.0665664527680043
Energy: 1.7272549980642518
Energy: 1.9733598936223335
Energy: 1.9426487551290745
Energy: 2.1932214994687524
Energy: 1.9426487551290745
Energy: 1.7553577962731242
Energy: 1.9438663046753535
Energy: 2.177894613027946
Energy: 1.9438663046763425
Energy: 1.754942054805961
Energy: 1.8089592434137858
Energy: 2.4051941899559046
Energy: 1.8089592434137858
Energy: 1.7547811922134569
Energy: 1.8123797462743594
Energy: 2.405444425711366
Energy: 1.8123797462733702
Energy: 1.755269192202886
Energy: 1.9110710001576532
Energy: 2.172271283383417
Energy: 1.9110710001576532
Energy: 1.9739527774020524
Energy: 1.9704152840176483
Energy: 2.192585263173445
Energy: 1.9704152840176483
Energy: 1.7326058058171918
Energy: 1.727083100955088
Energy: 2.7662414876383754
Energy: 1.7270831009560772
Energy: 1.7267914613567956
Energy: 1.8505113332497056
Energy: 1.9172296544847602
Energy: 1.8505113332497056
Energy: 2.4700580321278984
Energy: 1.7203726932794354
Energy: 1.9222127169679735
Energy: 1.7203726932794354
Energy: 1.9389748087547873
Energy: 1.7376213069629771
Energy: 2.1597760904638132
Energy: 1.737621306963966
Energy: 1.9172842797441378
Energy: 1.7116801995742572
Energy: 1.9542496910826808
Energy: 1.7116801995742572
Energy: 2.1774648746251373
Energy: 1.8342514079982464
Energy: 1.7173535605671901
Energy: 1.8342514079982464
Energy: 2.40701029924473
Energy: 1.7199711163307385
Energy: 1.7169567094390707
Energy: 1.7199711163307385
Energy: 2.1581383191511097
Energy: 1.7356495669594636
Energy: 2.2125012922071967
Energy: 1.7356495669604526
Energy: 2.162831373233113
Energy: 1.7372641605714523
Energy: 1.7602273276505183
Energy: 1.7372641605714523
Energy: 2.709577660739608
Energy: 1.7603470441294702
Energy: 1.7285269246131663
Energy: 1.7603470441294702
Energy: 2.426778068395845
Energy: 1.7303335808667988
Energy: 1.823506421555465
Energy: 1.7303335808667988
Energy: 2.212067808367316
Energy: 1.9113487030588032
Energy: 1.7608786296042882
Energy: 1.9113487030588032
Energy: 2.436374437903696
Energy: 1.7303955801001527
Energy: 1.7608781010095356
Energy: 1.7303955801011417
Energy: 2.4071245259903344
Energy: 1.8213427554703032
Energy: 1.7282757183778723
Energy: 1.8213427554703032
Energy: 2.170309492205506
Energy: 1.7360269170308384
Energy: 1.7602053626987342
Energy: 1.7360269170318279

minimum gb energy = 1.7116801995742572 eV
minimum distance =  2.51692645269147 Angstroms
sigma value = 1


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

Energy: 2.316464813937362
Energy: 1.824437519289083
Energy: 3.855065918111824
Energy: 1.8244375192879552
Energy: 2.2981686511893358
Energy: 1.952373569374488
Energy: 1.9288391354294658
Energy: 1.952373569374488
Energy: 2.306774851059239
Energy: 1.8167289243877147
Energy: 1.8166976121262015
Energy: 1.8167289243877147
Energy: 1.803496572023845
Energy: 1.7977906333694678
Energy: 1.9262613710197058
Energy: 1.7977906333683402
Energy: 1.8034878214699197
Energy: 1.7962760016574542
Energy: 2.4319055756186865
Energy: 1.7962760016574542
Energy: 2.306985515590876
Energy: 1.7966224880914474
Energy: 1.7957962813687436
Energy: 1.7966224880914474
Energy: 1.7963203006846002
Energy: 1.8691811371692642
Energy: 1.7956940881066326
Energy: 1.8691811371692642
Energy: 1.795708491316017
Energy: 1.7961443581097136
Energy: 2.43176001877367
Energy: 1.7961443581097136
Energy: 1.7958993266493433
Energy: 1.9533383356224345
Energy: 2.310599131733568
Energy: 1.9533383356224345
Energy: 2.4318269513159345
Energy: 1.8049016767186814
Energy: 1.8037196628696
Energy: 1.8049016767186814
Energy: 1.816991902242205
Energy: 1.8599089591075868
Energy: 2.3108520856463532
Energy: 1.8599089591075868
Energy: 1.7967438713609236
Energy: 1.7963366401991387
Energy: 2.9418712346318716
Energy: 1.7963366401991387
Energy: 1.9272208217542668
Energy: 1.9557700685693493
Energy: 2.3021134377894965
Energy: 1.9557700685693493
Energy: 1.9272208217542668
Energy: 1.9562948129874516
Energy: 2.3018564575605387
Energy: 1.9562948129874516
Energy: 1.7967088114132668
Energy: 1.7963448586434014
Energy: 2.941872906573223
Energy: 1.7963448586434014
Energy: 1.8169916571587847
Energy: 1.860139270962425
Energy: 2.310804308896359
Energy: 1.860139270962425
Energy: 2.4318269513159345
Energy: 1.804887198378408
Energy: 1.8037021064241932
Energy: 1.804887198378408
Energy: 1.7958126863226642
Energy: 1.953423453325971
Energy: 2.310328446659934
Energy: 1.953423453325971
Energy: 1.7957020069246687
Energy: 1.7961741300707348
Energy: 2.43176001877367
Energy: 1.7961741300707348
Energy: 1.7963985507871199
Energy: 1.8691314338100309
Energy: 1.7956538133777955
Energy: 1.8691314338100309
Energy: 2.3066561432007617
Energy: 1.7966774965498873
Energy: 1.79578563914104
Energy: 1.7966774965498873
Energy: 1.8034930139359762
Energy: 1.7961446704756707
Energy: 2.4319055756186865
Energy: 1.7961446704756707
Energy: 1.8035175214339896
Energy: 1.7977139988437665
Energy: 1.9262613710185779
Energy: 1.7977139988437665
Energy: 2.3068276341920004
Energy: 1.816756748912421
Energy: 1.8166911560675798
Energy: 1.816756748912421
Energy: 2.2981524136143268
Energy: 1.9527728618391902
Energy: 1.9288391354294658
Energy: 1.9527728618391902
Energy: 2.316464813937362
Energy: 1.8244375192879552
Energy: 3.855065918111824
Energy: 1.8244375192879552
Energy: 2.2981686511893358
Energy: 1.952373569374488
Energy: 1.9288391354294658
Energy: 1.952373569374488
Energy: 2.306774851059239
Energy: 1.8167289243877147
Energy: 1.8166976121262015
Energy: 1.8167289243877147
Energy: 1.803496572023845
Energy: 1.7977906333694678
Energy: 1.9262613710197058
Energy: 1.7977906333694678

minimum gb energy = 1.7956538133777955 eV
minimum distance =  2.50831146654553 Angstroms
sigma value = 25


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

Energy: 2.319067317741361
Energy: 2.2881840840693095
Energy: 3.7962770546558313
Energy: 2.2881840840693095
Energy: 2.514612997518909
Energy: 1.9345274217626578
Energy: 2.1482664400113363
Energy: 1.934527421763969
Energy: 2.529316857812776
Energy: 1.941561734421597
Energy: 1.9412108511131407
Energy: 1.941561734421597
Energy: 2.230835248322542
Energy: 1.9140633499071658
Energy: 2.0268945405500705
Energy: 1.9140633499071658
Energy: 2.232409606380007
Energy: 1.9149781544049906
Energy: 2.2413389587301107
Energy: 1.9149781544049906
Energy: 2.528846981749627
Energy: 1.9360121932166534
Energy: 1.9341373160478994
Energy: 1.9360121932166534
Energy: 1.9539183153465085
Energy: 1.9162916009989446
Energy: 1.9340712379818532
Energy: 1.916291601000256
Energy: 1.9238386099692697
Energy: 1.9547101824682223
Energy: 3.0618638129167235
Energy: 1.9547101824669113
Energy: 1.956378228028586
Energy: 1.9955233652667759
Energy: 2.258752674835425
Energy: 1.9955233652667759
Energy: 2.005629506816589
Energy: 1.948289215097661
Energy: 2.254004652435642
Energy: 1.948289215097661
Energy: 2.005559069175203
Energy: 1.9965923627174544
Energy: 2.4957482078424675
Energy: 1.9965923627174544
Energy: 2.023813322614897
Energy: 1.9553726504970568
Energy: 2.4955888805433646
Energy: 1.9553726504970568
Energy: 2.0054514069997165
Energy: 1.9481063956761295
Energy: 2.2518388722330718
Energy: 1.9481063956761295
Energy: 2.0783358633942073
Energy: 1.9956305214470793
Energy: 2.2588787444933907
Energy: 1.9956305214457684
Energy: 1.9291482859002957
Energy: 1.9547733640998206
Energy: 3.0588548823712447
Energy: 1.9547733640998206
Energy: 1.9537467795131715
Energy: 1.9160944363157786
Energy: 1.9341918372459788
Energy: 1.9160944363157786
Energy: 2.9923296044488756
Energy: 1.9356594317649047
Energy: 1.9342493985929576
Energy: 1.9356594317649047
Energy: 2.2310189632149076
Energy: 1.9151169193139708
Energy: 2.2414241311586327
Energy: 1.9151169193139708
Energy: 2.236200855746141
Energy: 1.9140132721417236
Energy: 2.0270374790819843
Energy: 1.9140132721417236
Energy: 2.2310654474887683
Energy: 1.9353361998088234
Energy: 1.9428140842690456
Energy: 1.9353361998088234
Energy: 2.5144799785035175
Energy: 1.9343196157417641
Energy: 1.9333080400546032
Energy: 1.9343196157417641
Energy: 2.3208697086287504
Energy: 2.206426674244106
Energy: 2.0275421977423207
Energy: 2.206426674244106
Energy: 2.518397861232174
Energy: 2.0305557629253514
Energy: 2.147938199218424
Energy: 2.0305557629253514
Energy: 2.754591118606983
Energy: 1.941634016506131
Energy: 1.943212670836474
Energy: 1.941634016506131
Energy: 2.232401010085017
Energy: 1.9154385182195581
Energy: 1.9339058905281847
Energy: 1.9154385182195581

minimum gb energy = 1.9140132721417236 eV
minimum distance =  2.52244049937298 Angstroms
sigma value = 9


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

Energy: 2.056864031347799
Energy: 2.056668427801688
Energy: 4.062631573731752
Energy: 2.056668427801688
Energy: 2.056146619768541
Energy: 2.0323850125033527
Energy: 2.0299401111619586
Energy: 2.0323850125033527
Energy: 2.030954643614823
Energy: 2.083287850150265
Energy: 2.0826696675360505
Energy: 2.083287850150265
Energy: 2.029241191135034
Energy: 2.0307795628532417
Energy: 2.030630637544152
Energy: 2.0307795628532417
Energy: 2.0296852052085224
Energy: 2.031619654829131
Energy: 2.0822935058728067
Energy: 2.031619654829131
Energy: 3.0323262647359694
Energy: 2.031407492012126
Energy: 2.029249987034416
Energy: 2.031407492012126
Energy: 2.031548044001004
Energy: 2.0326961927706897
Energy: 2.02959988130962
Energy: 2.0326961927706897
Energy: 2.082450546025785
Energy: 2.0305332638195264
Energy: 2.7053829531441895
Energy: 2.0305332638195264
Energy: 2.3622553423341937
Energy: 2.0310232523457357
Energy: 2.05618361307846
Energy: 2.0310232523457357
Energy: 2.360331682107078
Energy: 2.0572829911912818
Energy: 2.056042012423725
Energy: 2.0572829911912818
Energy: 2.0301187828804963
Energy: 2.10611973851481
Energy: 2.70591874399427
Energy: 2.10611973851481
Energy: 2.0823470694592467
Energy: 2.056413941177369
Energy: 2.0297271183458903
Energy: 2.056413941177369
Energy: 2.361054378185151
Energy: 2.030698847812961
Energy: 2.0292429474934757
Energy: 2.0306988478113968
Energy: 2.0299246658560284
Energy: 2.137894240758027
Energy: 2.0297470721933926
Energy: 2.137894240758027
Energy: 2.029245229435474
Energy: 2.030711579825978
Energy: 2.361054378185151
Energy: 2.030711579825978
Energy: 2.029790940592739
Energy: 2.0594448470328235
Energy: 2.0823415072680374
Energy: 2.0594448470328235
Energy: 2.7058170731098796
Energy: 2.106073375489381
Energy: 2.0299596383156286
Energy: 2.106073375489381
Energy: 2.056010367883116
Energy: 2.0571992784091244
Energy: 2.3603316821055143
Energy: 2.0571992784091244
Energy: 2.056207732707361
Energy: 2.0310701088914174
Energy: 2.3622553423341937
Energy: 2.0310701088914174
Energy: 2.7054289040113884
Energy: 2.030385793484646
Energy: 2.0827306932035388
Energy: 2.0303857934862104
Energy: 2.02953085309017
Energy: 2.032931629390676
Energy: 2.0314033838524272
Energy: 2.032931629390676

minimum gb energy = 2.029241191135034 eV
minimum distance =  2.50440092888301 Angstroms
sigma value = 25


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

Energy: 2.3108908395085854
Energy: 2.3777534380114074
Energy: 3.876204346421516
Energy: 2.3777534380114074
Energy: 2.623334218583321
Energy: 2.227749285821001
Energy: 2.260163936947343
Energy: 2.227749285821001
Energy: 2.2593013671597886
Energy: 2.275370747254881
Energy: 2.2746314874847173
Energy: 2.275370747256815
Energy: 2.248124056166921
Energy: 2.256593014116028
Energy: 2.259701610070896
Energy: 2.256593014116028
Energy: 2.256023316536375
Energy: 2.2849860864147726
Energy: 2.6752966223270214
Energy: 2.2849860864147726
Energy: 2.798451139830693
Energy: 2.2269681310638956
Energy: 2.2317605412148414
Energy: 2.2269681310638956
Energy: 2.3948231530726622
Energy: 2.256881257428248
Energy: 2.227411208705162
Energy: 2.256881257428248
Energy: 2.256177369981683
Energy: 2.3953920223731497
Energy: 2.6754033642431816
Energy: 2.3953920223731497
Energy: 2.3950653963445534
Energy: 2.227330854262335
Energy: 2.22700593458492
Energy: 2.227330854262335
Energy: 2.32089065727756
Energy: 2.227305622090201
Energy: 2.227302015293501
Energy: 2.227305622090201
Energy: 2.2335615865697513
Energy: 2.2573229502477217
Energy: 2.7901990487132626
Energy: 2.2573229502477217
Energy: 2.2557957736552976
Energy: 2.2289907242020095
Energy: 2.2617136363668635
Energy: 2.2289907242020095
Energy: 2.651257596176494
Energy: 2.260545274788066
Energy: 2.2594090124590505
Energy: 2.260545274788066
Energy: 2.624026143728812
Energy: 2.2276909409189165
Energy: 2.4034996670705757
Energy: 2.2276909409189165
Energy: 2.629191462171665
Energy: 2.229161662686361
Energy: 2.395379008955803
Energy: 2.229161662686361
Energy: 2.6252410902948946
Energy: 2.2347216445500773
Energy: 2.262643714822421
Energy: 2.2347216445500773
Energy: 2.256068500487117
Energy: 2.228387923704039
Energy: 2.260026572890468
Energy: 2.228387923704039

minimum gb energy = 2.2269681310638956 eV
minimum distance =  2.4919218285501 Angstroms
sigma value = 17


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

Energy: 2.606610798618955
Energy: 2.454217357901959
Energy: 3.768645244727602
Energy: 2.454217357901959
Energy: 2.59665700991078
Energy: 2.3175496550614367
Energy: 2.3139463337853807
Energy: 2.3175496550614367
Energy: 2.504691469390722
Energy: 2.316694187861473
Energy: 2.284665068498393
Energy: 2.316694187862568
Energy: 2.293015538290086
Energy: 2.2861888538245734
Energy: 2.3151280821949185
Energy: 2.286188853825669
Energy: 2.285103635791747
Energy: 2.332289919976246
Energy: 2.525254956542262
Energy: 2.332289919976246
Energy: 2.572431907741463
Energy: 2.278510805651918
Energy: 2.334080303560757
Energy: 2.278510805651918
Energy: 2.3726301081733228
Energy: 2.2811377878563266
Energy: 2.5250124554314843
Energy: 2.2811377878563266
Energy: 2.2955456432168146
Energy: 2.2863883276319052
Energy: 2.5713632678080525
Energy: 2.2863883276319052
Energy: 2.295453018291595
Energy: 2.300994580144133
Energy: 2.2961065135848577
Energy: 2.300994580144133
Energy: 2.5348600555394945
Energy: 2.331613953783169
Energy: 2.30605125556897
Energy: 2.331613953783169
Energy: 2.309668471662441
Energy: 2.29851355881164
Energy: 2.5852033675856623
Energy: 2.29851355881164
Energy: 2.3042654906483473
Energy: 2.301556995009914
Energy: 2.3613923664470806
Energy: 2.301556995009914
Energy: 2.5344723706280488
Energy: 2.3514572643145284
Energy: 2.314712980362557
Energy: 2.3514572643145284
Energy: 2.304467968085839
Energy: 2.2986981112085307
Energy: 2.3636486067064144
Energy: 2.2986981112085307
Energy: 2.3039774657016676
Energy: 2.2802610878217657
Energy: 2.5752613887669407
Energy: 2.2802610878217657
Energy: 2.6728041738588506
Energy: 2.3009641690456677
Energy: 2.2887498754794957
Energy: 2.3009641690456677
Energy: 2.2951684837856243
Energy: 2.3021100000099275
Energy: 2.3060878471488446
Energy: 2.3021100000099275
Energy: 2.296048021478855
Energy: 2.369816687235198
Energy: 2.597077238845936
Energy: 2.369816687235198
Energy: 2.3732462953217035
Energy: 2.3001124115674707
Energy: 2.5254093547975933
Energy: 2.3001124115674707
Energy: 2.5774684259530107
Energy: 2.4112945504816015
Energy: 2.5272010236078946
Energy: 2.4112945504816015
Energy: 2.285902555725682
Energy: 2.3330213220913962
Energy: 2.6519674854727153
Energy: 2.3330213220913962
Energy: 2.2891180664156154
Energy: 2.3030056515787316
Energy: 2.315069472597544
Energy: 2.3030056515787316
Energy: 2.6229298635654787
Energy: 2.3103367027954334
Energy: 2.3186033508669435
Energy: 2.3103367027954334
Energy: 2.548910969639936
Energy: 2.279413342145815
Energy: 2.4000882434088773
Energy: 2.279413342145815
Energy: 2.546877944022989
Energy: 2.279613539893332
Energy: 2.407370800756386
Energy: 2.279613539893332
Energy: 2.6579414574146236
Energy: 2.3101756874162676
Energy: 2.3255618697116134
Energy: 2.3101756874151724
Energy: 2.2850878513034174
Energy: 2.3020355409875695
Energy: 2.3168436889907396
Energy: 2.3020355409875695
Energy: 2.2885583070143523
Energy: 2.2852794540395163
Energy: 2.680273465856475
Energy: 2.2852794540395163
Energy: 2.4151278070278117
Energy: 2.3275713090870216
Energy: 2.533067345676698
Energy: 2.3275713090870216
Energy: 2.3735853870463552
Energy: 2.2787589684579226
Energy: 2.33307970858332
Energy: 2.2787589684579226

minimum gb energy = 2.278510805651918 eV
minimum distance =  2.50345713156217 Angstroms
sigma value = 53


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

Energy: 2.1777147585620886
Energy: 2.1418021052582543
Energy: 4.236048852145733
Energy: 2.1418021052582543
Energy: 2.1786925130098744
Energy: 2.1437877907782967
Energy: 2.1786726851958127
Energy: 2.1437877907782967
Energy: 2.8238753753805153
Energy: 2.142498376547678
Energy: 2.279116207045918
Energy: 2.1424983765502
Energy: 2.279134629386562
Energy: 2.1424944063693547
Energy: 2.8237682054512874
Energy: 2.1424944063693547
Energy: 2.1786906752433275
Energy: 2.1437800914178107
Energy: 2.1786048679158534
Energy: 2.1437800914178107
Energy: 4.236048852145733
Energy: 2.1418021052582543
Energy: 2.1777147585620886
Energy: 2.1418021052582543
Energy: 2.1786726851958127
Energy: 2.1437877907782967
Energy: 2.1786925130098744
Energy: 2.1437877907782967
Energy: 2.279116207045918
Energy: 2.1424983765502
Energy: 2.823875375383037
Energy: 2.1424983765502
Energy: 2.8237682054512874
Energy: 2.1424944063693547
Energy: 2.279134629386562
Energy: 2.1424944063693547
Energy: 2.1786048679158534
Energy: 2.1437800914178107
Energy: 2.1786906752433275
Energy: 2.1437800914178107
Energy: 2.1777147585620886
Energy: 2.1418021052582543
Energy: 4.236048852145733
Energy: 2.1418021052582543
Energy: 2.1786925130098744
Energy: 2.1437877907782967
Energy: 2.1786726851958127
Energy: 2.1437877907782967
Energy: 2.8238753753805153
Energy: 2.1424983765502
Energy: 2.279116207045918
Energy: 2.1424983765502

minimum gb energy = 2.1418021052582543 eV
minimum distance =  2.52283948527105 Angstroms
sigma value = 9


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

Energy: 2.5635940824827315
Energy: 2.4250910417555587
Energy: 3.691769491301951
Energy: 2.425091041756492
Energy: 2.788249780531336
Energy: 2.2959655109223065
Energy: 2.372582173652271
Energy: 2.2959655109223065
Energy: 2.377042471880496
Energy: 2.351591840413229
Energy: 2.35271487240717
Energy: 2.351591840413229
Energy: 2.377065414794101
Energy: 2.379360346316372
Energy: 2.3716932798708057
Energy: 2.379360346316372
Energy: 2.443126213888641
Energy: 2.3424368850526434
Energy: 2.7764258633608616
Energy: 2.3424368850526434
Energy: 2.8195991166825936
Energy: 2.411487007230651
Energy: 2.5444163668663786
Energy: 2.411487007230651
Energy: 2.3459126361344635
Energy: 2.298220718496437
Energy: 2.7795334416204978
Energy: 2.298220718496437
Energy: 2.3479453135234167
Energy: 2.3261459903419626
Energy: 2.4132228464651964
Energy: 2.3261459903419626
Energy: 2.347045960846336
Energy: 2.351401076944303
Energy: 2.410192125050324
Energy: 2.351401076944303
Energy: 2.5423706526304377
Energy: 2.3567646189032305
Energy: 2.421042734042353
Energy: 2.3567646189032305
Energy: 2.3436518280745378
Energy: 2.354288149177118
Energy: 2.79041574332207
Energy: 2.354288149177118
Energy: 2.774160193692914
Energy: 2.3500153213249986
Energy: 2.33314456967374
Energy: 2.3500153213249986
Energy: 2.4665086324174603
Energy: 2.314562089229691
Energy: 2.335167541084745
Energy: 2.314562089229691
Energy: 2.444930355314928
Energy: 2.3767666983383773
Energy: 2.5615966737804015
Energy: 2.3767666983383773
Energy: 2.433890602348718
Energy: 2.326574442390307
Energy: 2.332002162622357
Energy: 2.326574442390307
Energy: 2.787842632721635
Energy: 2.3149109977154625
Energy: 2.340157307566337
Energy: 2.3149109977154625
Energy: 2.5425877829300267
Energy: 2.316062422779871
Energy: 2.7588904077351355
Energy: 2.316062422779871
Energy: 2.34900776530037
Energy: 2.3651003634570302
Energy: 2.512313305930488
Energy: 2.3651003634579633
Energy: 2.7415984143064915
Energy: 2.342543094280671
Energy: 2.4168604701968914
Energy: 2.342543094280671
Energy: 2.3410043985939817
Energy: 2.3148198215210933
Energy: 2.402468678791191
Energy: 2.3148198215210933
Energy: 2.3627812356431224
Energy: 2.3268664131553045
Energy: 2.4278183831250635
Energy: 2.3268664131553045
Energy: 2.5965578714090705
Energy: 2.3407844438651955
Energy: 2.5440585210769706
Energy: 2.3407844438651955
Energy: 2.583101738698945
Energy: 2.373271804618336
Energy: 2.5529492603640622
Energy: 2.373271804618336
Energy: 2.404375426691643
Energy: 2.3565130046629066
Energy: 2.7563427680164785
Energy: 2.35651300466384
Energy: 2.379396740858046
Energy: 2.326592807725199
Energy: 2.3800948377599798
Energy: 2.3265928077242655
Energy: 2.4912871253443063
Energy: 2.357847596491362
Energy: 2.374981637433192
Energy: 2.357847596491362
Energy: 2.7615134521499236
Energy: 2.354398791353201
Energy: 2.6466960930226926
Energy: 2.354398791353201
Energy: 2.580055454344634
Energy: 2.3551718511841946
Energy: 2.8815025599282884
Energy: 2.355171851183261
Energy: 2.775008037569833
Energy: 2.4135268343878176
Energy: 2.3806823953437277
Energy: 2.413526834386884
Energy: 2.3822350390555695
Energy: 2.328397390747068
Energy: 2.3739377413766247
Energy: 2.328397390748001
Energy: 2.378191350750223
Energy: 2.3709362499530227
Energy: 2.763168891741964
Energy: 2.3709362499530227
Energy: 2.584125799161346
Energy: 2.3424979584507364
Energy: 2.5590007621731887
Energy: 2.3424979584507364
Energy: 2.8334702355677126
Energy: 2.341994660392336
Energy: 2.543849654798031
Energy: 2.341994660392336
Energy: 2.368594196336284
Energy: 2.3267362026706238
Energy: 2.428283830623172
Energy: 2.3267362026706238
Energy: 2.3414817465769953
Energy: 2.3149315442277656
Energy: 2.4032412952418434
Energy: 2.3149315442277656

minimum gb energy = 2.2959655109223065 eV
minimum distance =  2.45292488282645 Angstroms
sigma value = 73


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

Energy: 2.6367406679085574
Energy: 2.437065578095729
Energy: 3.782668476983456
Energy: 2.437065578095729
Energy: 2.6410427318306278
Energy: 2.3638829230412255
Energy: 2.364076383961762
Energy: 2.3638829230412255
Energy: 2.4370998488889164
Energy: 2.3598786209505165
Energy: 2.3700297015884786
Energy: 2.3598786209505165
Energy: 2.408821422012745
Energy: 2.3012115637436636
Energy: 2.363661005982976
Energy: 2.3012115637436636
Energy: 2.490940610446121
Energy: 2.301644740106621
Energy: 2.6467838206303456
Energy: 2.301644740106621
Energy: 3.09401397594131
Energy: 2.3026805280477953
Energy: 2.3271547697748844
Energy: 2.3026805280477953
Energy: 2.3104289559976174
Energy: 2.372011169225265
Energy: 2.647678791018438
Energy: 2.372011169225265
Energy: 2.3108787625364937
Energy: 2.3012044036077373
Energy: 2.509436241637034
Energy: 2.3012044036077373
Energy: 2.7167370412582352
Energy: 2.3605013380800823
Energy: 2.4861099029133817
Energy: 2.3605013380800823
Energy: 2.3089117529458187
Energy: 2.359724869967441
Energy: 2.4870077843375995
Energy: 2.359724869967441
Energy: 2.3077395045063174
Energy: 2.3013140300580766
Energy: 2.9308011596206747
Energy: 2.3013140300580766
Energy: 2.7172798023940548
Energy: 2.3015698828819215
Energy: 2.646521155792077
Energy: 2.3015698828819215
Energy: 2.6701762363682358
Energy: 2.3015259440016833
Energy: 2.324467457020798
Energy: 2.3015259440016833
Energy: 2.4369376153449274
Energy: 2.418619603748831
Energy: 2.8845413585962816
Energy: 2.418619603748831
Energy: 2.4151450983376175
Energy: 2.301519827654433
Energy: 2.3524899259386287
Energy: 2.301519827654433
Energy: 2.4903279179100175
Energy: 2.3605560901530724
Energy: 2.387787501534402
Energy: 2.3605560901530724
Energy: 2.6380804122506953
Energy: 2.314677693985366
Energy: 2.8516747422166144
Energy: 2.314677693985366
Energy: 2.6452817528816883
Energy: 2.314873547285037
Energy: 3.1042156803310967
Energy: 2.314873547285037
Energy: 2.7659206887691172
Energy: 2.359876937730253
Energy: 2.3525458685595946
Energy: 2.359876937730253
Energy: 2.405700110188883
Energy: 2.301537753164107
Energy: 2.3706527827135617
Energy: 2.301537753164107
Energy: 2.4267717206478143
Energy: 2.4185490383612898
Energy: 2.8963346247492727
Energy: 2.4185490383612898
Energy: 2.666803172377963
Energy: 2.300984614199096
Energy: 2.3244666494863897
Energy: 2.300984614199096

minimum gb energy = 2.300984614199096 eV
minimum distance =  2.44701523818212 Angstroms
sigma value = 7


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

Energy: 2.7272361929709485
Energy: 2.3358903654851115
Energy: 3.710331101984238
Energy: 2.3358903654851115
Energy: 2.7143555887960447
Energy: 2.3382696353493557
Energy: 2.3074239698232457
Energy: 2.3382696353493557
Energy: 2.421297493265535
Energy: 2.305788901550347
Energy: 2.3057553662738606
Energy: 2.305788901550347
Energy: 2.475925818638444
Energy: 2.264164064629873
Energy: 2.3070224622022053
Energy: 2.264164064629873
Energy: 2.578112596711366
Energy: 2.3058475741549747
Energy: 2.266533213139617
Energy: 2.3058475741549747
Energy: 3.041418500628534
Energy: 2.2642255649865546
Energy: 2.2712070212325712
Energy: 2.2642255649865546
Energy: 2.2666756175954736
Energy: 2.268740932282431
Energy: 2.772150041973925
Energy: 2.268740932282431
Energy: 2.2714514539358386
Energy: 2.264107188809577
Energy: 2.577420748840482
Energy: 2.264107188809577
Energy: 2.772795814705337
Energy: 2.3064927107811215
Energy: 2.421034953756148
Energy: 2.3064927107800743
Energy: 2.3065833730536776
Energy: 2.2640475907785245
Energy: 2.475051437001285
Energy: 2.2640475907785245
Energy: 2.3061042438214066
Energy: 2.3064371677900257
Energy: 2.5847405050255734
Energy: 2.3064371677900257
Energy: 2.927673762451452
Energy: 2.2649077124076014
Energy: 2.713492868240919
Energy: 2.2649077124086485
Energy: 2.9272159660007793
Energy: 2.264710009934875
Energy: 2.7139860242906564
Energy: 2.264710009934875
Energy: 2.308490827333853
Energy: 2.3065721636083563
Energy: 2.8398099775686396
Energy: 2.3065721636083563
Energy: 2.305650353600547
Energy: 2.264094920982802
Energy: 2.4800577416924816
Energy: 2.264094920981755
Energy: 2.7733440851093145
Energy: 2.4513966944357
Energy: 2.4226387794012103
Energy: 2.4513966944357
Energy: 2.265162413629443
Energy: 2.2643187653310233
Energy: 2.5774726787255493
Energy: 2.2643187653299766
Energy: 2.2660345694706794
Energy: 2.3059700306828237
Energy: 2.7723146027756154
Energy: 2.3059700306828237
Energy: 3.0484421570633002
Energy: 2.264227932715902
Energy: 2.265083315153818
Energy: 2.264227932715902
Energy: 2.5842667991230526
Energy: 2.3059105186964945
Energy: 2.2652046023769046
Energy: 2.3059105186964945
Energy: 2.4318160456094233
Energy: 2.4220404948761853
Energy: 2.3076168447929635
Energy: 2.4220404948761853
Energy: 2.4240830962958024
Energy: 2.3060287682216116
Energy: 2.312499490224662
Energy: 2.3060287682216116
Energy: 2.7138087143143506
Energy: 2.3211427447984883
Energy: 2.309530853751752
Energy: 2.3211427447984883
Energy: 2.72179413436057
Energy: 2.2654403202336755
Energy: 2.9323527893281485
Energy: 2.2654403202326283
Energy: 2.7208608240057512
Energy: 2.264527855301506
Energy: 2.3073367774473432
Energy: 2.264527855301506
Energy: 2.4554309580205214
Energy: 2.3061053666775133
Energy: 2.3127704739227632
Energy: 2.3061053666775133
Energy: 2.4717376128873045
Energy: 2.2644099266958766
Energy: 2.3063732898787923
Energy: 2.2644099266958766
Energy: 2.5838977089632222
Energy: 2.3062830568030304
Energy: 2.7717764675333156
Energy: 2.3062830568040775
Energy: 2.5779420209482513
Energy: 2.2642959989005202
Energy: 2.264596350286239
Energy: 2.2642959989015674
Energy: 2.773259727856202
Energy: 2.397739154092102
Energy: 2.77324405767838
Energy: 2.397739154092102
Energy: 2.264583392274162
Energy: 2.2643821726804756
Energy: 2.5779420209492985
Energy: 2.2643821726804756

minimum gb energy = 2.2640475907785245 eV
minimum distance =  2.46722205388425 Angstroms
sigma value = 29


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

Energy: 2.1444944440298257
Energy: 2.1773114059087195
Energy: 3.693115782401402
Energy: 2.1773114059087195
Energy: 2.799187329347373
Energy: 2.1587385331242954
Energy: 2.17795482491099
Energy: 2.1587385331242954
Energy: 2.48341292909017
Energy: 2.1108677786612047
Energy: 2.1104680220441607
Energy: 2.1108677786612047
Energy: 2.900205312801944
Energy: 2.110786257122518
Energy: 2.1800892803144034
Energy: 2.110786257122518
Energy: 3.0066402026978527
Energy: 2.1114225562542424
Energy: 2.110476637615523
Energy: 2.1114225562542424
Energy: 2.4830432762162564
Energy: 2.1109876344792817
Energy: 2.110784337504411
Energy: 2.1109876344792817
Energy: 2.7980112624411193
Energy: 2.1111128573681905
Energy: 3.2175363710593476
Energy: 2.1111128573681905
Energy: 2.1439545611811264
Energy: 2.110771474033696
Energy: 3.3068610690511733
Energy: 2.110771474033696
Energy: 2.9111326405648503
Energy: 2.110944331143966
Energy: 2.1113095185327984
Energy: 2.110944331143966

minimum gb energy = 2.1104680220441607 eV
minimum distance =  2.50506438386395 Angstroms
sigma value = 5


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

Energy: 2.646779828010447
Energy: 2.269450871975211
Energy: 3.309768092950273
Energy: 2.269450871975211
Energy: 2.339585996509922
Energy: 2.223467574550497
Energy: 2.341930174291194
Energy: 2.223467574550497
Energy: 2.259170282047064
Energy: 2.258109739730244
Energy: 2.4183422206235177
Energy: 2.258109739730244
Energy: 2.259089495127452
Energy: 2.252344276977911
Energy: 2.342211258354701
Energy: 2.252344276977911
Energy: 2.197489544079741
Energy: 2.2492437685182383
Energy: 2.2918183638077334
Energy: 2.2492437685182383
Energy: 2.512442589749317
Energy: 2.282590084329272
Energy: 2.2919749893933137
Energy: 2.282590084329272
Energy: 2.5923245189211346
Energy: 2.2458776955980095
Energy: 2.457599049056843
Energy: 2.2458776955980095
Energy: 2.59430142590759
Energy: 2.245339098112942
Energy: 2.5403616921326515
Energy: 2.245339098112942
Energy: 2.807474758688708
Energy: 2.2231937387062177
Energy: 2.6028142603748883
Energy: 2.2231937387062177
Energy: 2.7405861708850865
Energy: 2.223379875257929
Energy: 2.603775265104894
Energy: 2.223379875257929
Energy: 2.430751369798591
Energy: 2.2584035031676284
Energy: 2.364470532562861
Energy: 2.2584035031676284
Energy: 2.4391189247474525
Energy: 2.2557849264451817
Energy: 2.2191348451535493
Energy: 2.2557849264451817
Energy: 2.3658943015377667
Energy: 2.2959905784180417
Energy: 2.2179122488228873
Energy: 2.2959905784170522
Energy: 2.287397964361367
Energy: 2.250070562356903
Energy: 2.2176271551706086
Energy: 2.250070562356903
Energy: 2.3586437618647103
Energy: 2.300631611227895
Energy: 2.380172350440677
Energy: 2.300631611228884
Energy: 2.749095581745891
Energy: 2.2286161808932756
Energy: 2.6193799349822444
Energy: 2.2286161808932756
Energy: 2.3780189654590913
Energy: 2.22365323997879
Energy: 2.3794537316521636
Energy: 2.223653239979779
Energy: 2.430302778031417
Energy: 2.251239540096182
Energy: 2.5413564036199294
Energy: 2.251239540096182
Energy: 2.3396573028792047
Energy: 2.228667724048346
Energy: 2.218422967534584
Energy: 2.228667724048346
Energy: 2.3170869844598045
Energy: 2.2583464257456582
Energy: 2.29215307259738
Energy: 2.2583464257456582
Energy: 2.330905746736647
Energy: 2.252612022526333
Energy: 2.460362854809803
Energy: 2.252612022526333
Energy: 2.4216351549919124
Energy: 2.249462590549949
Energy: 2.4208478239210875
Energy: 2.249462590549949
Energy: 2.2589729298316406
Energy: 2.25079128222911
Energy: 2.425571195561997
Energy: 2.25079128222911
Energy: 2.404673368834977
Energy: 2.240609249592667
Energy: 3.005477382764629
Energy: 2.240609249592667
Energy: 2.407323772560662
Energy: 2.242419499311621
Energy: 3.074292005283182
Energy: 2.242419499311621
Energy: 2.595843958858032
Energy: 2.249668326844397
Energy: 2.422343067770891
Energy: 2.249668326844397
Energy: 2.265409551622593
Energy: 2.2502899349863297
Energy: 2.425506433549871
Energy: 2.2502899349863297
Energy: 2.319055913249124
Energy: 2.2536477775683474
Energy: 2.405964963529372
Energy: 2.2536477775693364
Energy: 2.331794035975323
Energy: 2.253051717074513
Energy: 2.2952249754851075
Energy: 2.253051717074513
Energy: 2.379298985110087
Energy: 2.373178070335388
Energy: 2.2183578505803583
Energy: 2.373178070335388
Energy: 2.6086462663237038
Energy: 2.24914063785057
Energy: 2.4655758178999183
Energy: 2.2491406378515593
Energy: 2.340414449749889
Energy: 2.2137105150530734
Energy: 2.340750511261327
Energy: 2.2137105150530734
Energy: 2.8106112269294434
Energy: 2.227433781560527
Energy: 2.6144324221935196
Energy: 2.227433781560527

minimum gb energy = 2.197489544079741 eV
minimum distance =  2.46193878087238 Angstroms
sigma value = 1


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

Energy: 2.6098554494268367
Energy: 2.2285065859197424
Energy: 3.3150012815508814
Energy: 2.2285065859197424
Energy: 2.512852203024241
Energy: 2.1839870810329782
Energy: 2.2487115910344566
Energy: 2.1839870810329782
Energy: 2.3436411025900243
Energy: 2.1991397714287597
Energy: 2.6867283283017755
Energy: 2.1991397714287597
Energy: 2.426957306021574
Energy: 2.198364736021058
Energy: 2.24886912540431
Energy: 2.198364736021058
Energy: 2.2130023968161887
Energy: 2.160177019638522
Energy: 2.213365506845004
Energy: 2.160177019638522
Energy: 2.214047082360963
Energy: 2.173207567443189
Energy: 2.2133436442937375
Energy: 2.173207567443189
Energy: 2.2486480804170332
Energy: 2.19842211214815
Energy: 2.4955288631098833
Energy: 2.19842211214815
Energy: 2.248941085332137
Energy: 2.1980376287718317
Energy: 2.5287999981361047
Energy: 2.1980376287718317
Energy: 2.65971429779933
Energy: 2.1593647722922493
Energy: 2.4475485846246676
Energy: 2.1593647722922493
Energy: 2.65971429779933
Energy: 2.159499421879216
Energy: 2.453432064717684
Energy: 2.159499421879216
Energy: 2.2533449854812755
Energy: 2.1982530652945127
Energy: 2.5287999981361047
Energy: 2.1982530652945127
Energy: 2.248601155755623
Energy: 2.1984641843606694
Energy: 2.4955288631098833
Energy: 2.1984641843606694
Energy: 2.213995998922652
Energy: 2.173901993263467
Energy: 2.2133906369899763
Energy: 2.173901993263467
Energy: 2.212952123694936
Energy: 2.1599869698375436
Energy: 2.2135122588163174
Energy: 2.1599869698375436
Energy: 2.3111148921091713
Energy: 2.197617401820206
Energy: 2.248680814527023
Energy: 2.197617401820206
Energy: 2.3436411025900243
Energy: 2.199106179232311
Energy: 2.6859810296952205
Energy: 2.199106179232311
Energy: 2.2851467051164858
Energy: 2.177939619742882
Energy: 2.2489124295375262
Energy: 2.177939619742882
Energy: 2.6098554494268367
Energy: 2.2285065859197424
Energy: 3.3150012815508814
Energy: 2.2285065859197424
Energy: 2.512852203024241
Energy: 2.1839870810329782
Energy: 2.2487115910344566
Energy: 2.1839870810329782
Energy: 2.3436411025900243
Energy: 2.1991397714287597
Energy: 2.6867283283017755
Energy: 2.1991397714287597
Energy: 2.426957306021574
Energy: 2.198364736021058
Energy: 2.24886912540431
Energy: 2.198364736021058
Energy: 2.2130023968148214
Energy: 2.160177019638522
Energy: 2.213365506845004
Energy: 2.160177019638522
Energy: 2.2140470823623306
Energy: 2.173207567443189
Energy: 2.2133436442937375
Energy: 2.173207567443189
Energy: 2.2486480804170332
Energy: 2.19842211214815
Energy: 2.4955288631098833
Energy: 2.19842211214815

minimum gb energy = 2.1593647722922493 eV
minimum distance =  2.44084403843004 Angstroms
sigma value = 17


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

Energy: 2.7239848253528245
Energy: 2.1662076896128046
Energy: 3.13612560577155
Energy: 2.1662076896128046
Energy: 2.4521245775389238
Energy: 2.159130840019429
Energy: 2.247261980793421
Energy: 2.159130840019429
Energy: 2.2095233919986765
Energy: 2.142105752621705
Energy: 2.426144174178974
Energy: 2.1421057526225504
Energy: 2.2237221761917283
Energy: 2.1660545733007024
Energy: 2.246986028927504
Energy: 2.1660545733007024
Energy: 2.305928406977445
Energy: 2.144603149044059
Energy: 2.3449613331207377
Energy: 2.144603149044059
Energy: 2.3836818431254088
Energy: 2.161531102724742
Energy: 2.326562487705984
Energy: 2.161531102724742
Energy: 2.434309183672126
Energy: 2.14875901143813
Energy: 2.181518458437059
Energy: 2.14875901143813
Energy: 2.4384395105392707
Energy: 2.151128395320607
Energy: 2.252575432525732
Energy: 2.1511283953197617
Energy: 2.6874654909325666
Energy: 2.1480457912764344
Energy: 2.251489594880983
Energy: 2.1480457912764344
Energy: 2.712688664779286
Energy: 2.1515183573368044
Energy: 2.653605546474761
Energy: 2.1515183573368044
Energy: 2.5527793928301312
Energy: 2.1389521737859543
Energy: 2.4659523808378747
Energy: 2.1389521737859543
Energy: 2.552707981200486
Energy: 2.1422548188267103
Energy: 2.437461349406415
Energy: 2.1422548188258648
Energy: 2.3601152246993444
Energy: 2.1465524739844795
Energy: 2.4431760146680537
Energy: 2.1465524739844795
Energy: 2.223209309407545
Energy: 2.145358656629382
Energy: 2.448017701347639
Energy: 2.145358656629382
Energy: 2.2228826042682073
Energy: 2.164381750869622
Energy: 2.3636414174067375
Energy: 2.164381750869622
Energy: 2.2227825515454667
Energy: 2.1487478668776334
Energy: 2.299851473053345
Energy: 2.1487478668784785
Energy: 2.2425977951221094
Energy: 2.137637381551902
Energy: 2.278338112127079
Energy: 2.137637381551902
Energy: 2.5532526116574674
Energy: 2.15089391104307
Energy: 2.477210337620211
Energy: 2.150893911043915
Energy: 2.467194354867781
Energy: 2.1710737487532272
Energy: 2.2512713929244472
Energy: 2.1710737487523817
Energy: 2.68717195536503
Energy: 2.1441360577909108
Energy: 2.5701115420969276
Energy: 2.144136057791756
Energy: 2.1697154146792696
Energy: 2.1731317483782515
Energy: 2.4480710335510807
Energy: 2.173131748377406
Energy: 2.4230255476859326
Energy: 2.1442828286738584
Energy: 2.1819548119306873
Energy: 2.1442828286738584
Energy: 2.493430348880996
Energy: 2.1563803011626796
Energy: 2.3359365662964917
Energy: 2.1563803011626796
Energy: 2.3194727291018533
Energy: 2.1483934378347986
Energy: 2.2064706179736238
Energy: 2.1483934378347986
Energy: 2.3080216621166607
Energy: 2.1656992433236204
Energy: 2.4926312613130044
Energy: 2.1656992433236204
Energy: 2.2102109065882285
Energy: 2.142382129269334
Energy: 2.4341331400056103
Energy: 2.142382129269334
Energy: 2.496090348173353
Energy: 2.1481192405583416
Energy: 2.5513171512917063
Energy: 2.1481192405583416
Energy: 2.2729590093995955
Energy: 2.1365417056011506
Energy: 2.967768169194489
Energy: 2.1365417056003055
Energy: 2.665949221935739
Energy: 2.144670535438426
Energy: 2.824072139516528
Energy: 2.144670535439271
Energy: 2.209193178870414
Energy: 2.1422782448893463
Energy: 2.434458988459451
Energy: 2.1422782448893463
Energy: 2.2128877842851393
Energy: 2.1484213088855433
Energy: 2.550474955726096
Energy: 2.1484213088855433
Energy: 2.319899865442044
Energy: 2.1627449207485583
Energy: 2.3268108441574853
Energy: 2.1627449207485583
Energy: 2.306906607770819
Energy: 2.1493246696580384
Energy: 2.208904889833633
Energy: 2.1493246696571924
Energy: 2.571911775977508
Energy: 2.145617102196197
Energy: 2.1827947185389753
Energy: 2.145617102196197
Energy: 2.423763121691564
Energy: 2.143964594881046
Energy: 2.25229916526368
Energy: 2.143964594881046
Energy: 2.264035878554431
Energy: 2.1315708992586706
Energy: 2.251967913104737
Energy: 2.1315708992586706
Energy: 2.7152529593642143
Energy: 2.1426794096221924
Energy: 2.586571450732759
Energy: 2.1426794096221924
Energy: 2.242662579839341
Energy: 2.168353395135553
Energy: 2.4494098768548933
Energy: 2.168353395135553

minimum gb energy = 2.1315708992586706 eV
minimum distance =  2.46314834412616 Angstroms
sigma value = 89


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

Energy: 2.7214223256008214
Energy: 1.9788827901897186
Energy: 3.0850823461407546
Energy: 1.9788827901897186
Energy: 2.3179475699207788
Energy: 1.973320517185965
Energy: 2.339900844593353
Energy: 1.973320517185965
Energy: 2.2676655894191673
Energy: 1.9840307104242703
Energy: 2.225271691221293
Energy: 1.9840307104242703
Energy: 2.3378968165050433
Energy: 1.9992628132391883
Energy: 2.3400714936761395
Energy: 1.9992628132391883
Energy: 2.261991327160859
Energy: 2.003189227749754
Energy: 2.1100720187312425
Energy: 2.003189227749754
Energy: 2.2639078790927636
Energy: 2.1664518214543205
Energy: 2.110899608159754
Energy: 2.1664518214543205
Energy: 2.2620636612955067
Energy: 1.9832979119031722
Energy: 2.1102004800735514
Energy: 1.9832979119031722
Energy: 2.263070611219879
Energy: 1.9967295048674907
Energy: 2.450473033381667
Energy: 1.9967295048674907
Energy: 2.269492067008309
Energy: 1.9992221539712083
Energy: 2.2249503570418177
Energy: 1.9992221539712083
Energy: 2.5368456860312585
Energy: 1.9989314678039394
Energy: 2.2258248500591016
Energy: 1.9989314678039394
Energy: 2.5414185103086893
Energy: 1.9771563831122598
Energy: 2.930584782898829
Energy: 1.9771563831122598
Energy: 2.5440367490097953
Energy: 1.9861460942027676
Energy: 2.450324691753546
Energy: 1.9861460942027676
Energy: 2.267868814950126
Energy: 1.998808677716654
Energy: 2.2252606710962817
Energy: 1.998808677716654
Energy: 2.2685633140254136
Energy: 1.997608104214979
Energy: 2.225056384252625
Energy: 1.997608104214979
Energy: 2.2628731538495743
Energy: 1.9984149815680037
Energy: 2.4491570026836396
Energy: 1.9984149815680037

minimum gb energy = 1.973320517185965 eV
minimum distance =  2.44931964823948 Angstroms
sigma value = 13


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

Energy: 2.3803392310260327
Energy: 1.9068558284199182
Energy: 2.8057120858932363
Energy: 1.9068558284199182
Energy: 2.179630357962647
Energy: 1.9034310388006974
Energy: 2.2551637982648254
Energy: 1.9034310388006974
Energy: 2.1373994120813253
Energy: 1.7896685273665454
Energy: 2.3408265108491872
Energy: 1.7896685273665454
Energy: 2.2699959279915536
Energy: 1.8430073477545066
Energy: 2.255722807291019
Energy: 1.8430073477545066
Energy: 2.110820769561266
Energy: 1.7993700689154037
Energy: 2.058297981304025
Energy: 1.7993700689154037
Energy: 2.276422586102802
Energy: 1.7970218738463888
Energy: 2.2769245409085626
Energy: 1.7970218738463888
Energy: 2.1284929534319845
Energy: 1.789446189881426
Energy: 2.1278751816337054
Energy: 1.789446189881426
Energy: 2.1295186634616434
Energy: 1.9091652523116223
Energy: 2.1305089216491035
Energy: 1.9091652523116223
Energy: 2.047267118371111
Energy: 1.7989399152380872
Energy: 2.1113499301378225
Energy: 1.7989399152371601
Energy: 2.2124243817688263
Energy: 1.7987612464215432
Energy: 2.342305717741314
Energy: 1.7987612464215432
Energy: 2.3185192476517797
Energy: 1.7891564440138663
Energy: 2.122893745727279
Energy: 1.7891564440129395
Energy: 2.3231421045451452
Energy: 1.7884182517467193
Energy: 2.128539549378198
Energy: 1.7884182517467193
Energy: 2.724249019942183
Energy: 1.897112626531892
Energy: 2.360374636281372
Energy: 1.897112626531892
Energy: 2.1968221442717732
Energy: 1.9020539399570593
Energy: 2.319112876857731
Energy: 1.9020539399570593
Energy: 2.3181918107395116
Energy: 1.789445940251473
Energy: 2.122906040254204
Energy: 1.789445940251473
Energy: 2.3232200348197023
Energy: 1.7881166263003918
Energy: 2.1361930101911706
Energy: 1.7881166263003918
Energy: 2.213158814066988
Energy: 1.799090073547564
Energy: 2.111658856044403
Energy: 1.799090073547564
Energy: 2.058554721542678
Energy: 1.7984442834735137
Energy: 2.3424852657192035
Energy: 1.7984442834735137
Energy: 2.128481273069934
Energy: 1.7890838749595437
Energy: 2.12835190495254
Energy: 1.7890838749595437
Energy: 2.1283107020633425
Energy: 1.789067305022158
Energy: 2.128443319022812
Energy: 1.7890673050212313
Energy: 2.342501724327532
Energy: 1.798457642909711
Energy: 2.058583360748775
Energy: 1.798457642909711
Energy: 2.1116882395506256
Energy: 1.7990835669814902
Energy: 2.213158814066988
Energy: 1.7990835669814902
Energy: 2.1361930101911706
Energy: 1.788575593071555
Energy: 2.323254306459391
Energy: 1.788575593071555
Energy: 2.1229060402551307
Energy: 1.7894450252465635
Energy: 2.31817673900062
Energy: 1.7894450252465635
Energy: 2.3197396559221413
Energy: 1.9019684270244037
Energy: 2.196067823063382
Energy: 1.9019684270244037
Energy: 2.3600179638240495
Energy: 1.8971768208872084
Energy: 2.724249019942183
Energy: 1.8971768208872084
Energy: 2.128965505502716
Energy: 1.7879857429184793
Energy: 2.3231732071445013
Energy: 1.7879857429184793
Energy: 2.122893745728206
Energy: 1.789179527795187
Energy: 2.3185007630823877
Energy: 1.789179527795187
Energy: 2.342313901547647
Energy: 1.7987458943529522
Energy: 2.2126787386531626
Energy: 1.7987458943529522
Energy: 2.1114247841125993
Energy: 1.7989595168053891
Energy: 2.0472754925261873
Energy: 1.7989595168053891
Energy: 2.130526061188954
Energy: 1.9091761016951054
Energy: 2.129494620078745
Energy: 1.9091761016951054
Energy: 2.1282097982374952
Energy: 1.7893901146349867
Energy: 2.128398292866819
Energy: 1.7893901146349867
Energy: 2.2769412371476925
Energy: 1.7969574139033915
Energy: 2.27611190775495
Energy: 1.7969574139033915
Energy: 2.058303936466944
Energy: 1.799322088079989
Energy: 2.1108182540589735
Energy: 1.799322088079989
Energy: 2.2557389125212626
Energy: 1.8431013358234427
Energy: 2.269962216323682
Energy: 1.8431013358234427

minimum gb energy = 1.7879857429184793 eV
minimum distance =  2.47957303663253 Angstroms
sigma value = 37


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

Energy: 2.4527168410442552
Energy: 1.7499095472151118
Energy: 2.6508008859320533
Energy: 1.7499095472151118
Energy: 2.0482068858286238
Energy: 1.8070956886308382
Energy: 2.1472053109334954
Energy: 1.8070956886308382
Energy: 2.0629388527606105
Energy: 1.6760223285015872
Energy: 2.4145361188326797
Energy: 1.6760223285015872
Energy: 2.1675231706883378
Energy: 1.739180648000118
Energy: 2.1472999369425754
Energy: 1.739180648000118
Energy: 2.148722829925639
Energy: 1.6766325998710534
Energy: 2.119595081549711
Energy: 1.6766325998710534
Energy: 2.3026302959585707
Energy: 1.6858380829041788
Energy: 2.2146030838573587
Energy: 1.6858380829041788
Energy: 2.0140718058454046
Energy: 1.6766142082390763
Energy: 2.169263738352022
Energy: 1.6766142082390763
Energy: 2.0134471741228723
Energy: 1.7844331045721622
Energy: 2.1678430738127594
Energy: 1.7844331045721622
Energy: 2.013057824610445
Energy: 1.6778198275574168
Energy: 2.1678520016748792
Energy: 1.6778198275574168
Energy: 2.1711634747924697
Energy: 1.686486075959491
Energy: 2.167793195691518
Energy: 1.686486075959491
Energy: 2.1329545017774896
Energy: 1.6731032180817942
Energy: 2.120400023660255
Energy: 1.6731032180817942
Energy: 2.133105562260326
Energy: 1.6865530251463419
Energy: 2.1674701736758655
Energy: 1.6865530251463419
Energy: 2.06358755358337
Energy: 1.673370083774396
Energy: 2.289962651599353
Energy: 1.673370083774396
Energy: 2.048369463296689
Energy: 1.6727525304037312
Energy: 2.2931710831009218
Energy: 1.6727525304037312
Energy: 2.380610469126484
Energy: 1.7464980237266545
Energy: 2.579071602456801
Energy: 1.7464980237266545
Energy: 2.372531866898878
Energy: 1.8070246851375633
Energy: 2.0720688190898184
Energy: 1.8070246851375633
Energy: 2.0627309081139718
Energy: 1.6730882192271328
Energy: 2.2905402983429033
Energy: 1.6730882192271328
Energy: 2.170201435138865
Energy: 1.6728473584950128
Energy: 2.293552084025963
Energy: 1.6728473584950128
Energy: 2.1330445841057792
Energy: 1.6729273852079622
Energy: 2.119945611725904
Energy: 1.6729273852079622
Energy: 2.133046043737913
Energy: 1.6864959405647972
Energy: 2.1199510128242314
Energy: 1.6864959405647972

minimum gb energy = 1.6727525304037312 eV
minimum distance =  2.47400684290138 Angstroms
sigma value = 25


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

Energy: 2.3096419926369673
Energy: 1.5768368210354136
Energy: 2.3233418560340398
Energy: 1.5768368210341681
Energy: 1.9441241472418564
Energy: 1.7547287221140222
Energy: 1.9279632466995864
Energy: 1.7547287221127768
Energy: 1.8782874788751502
Energy: 1.5176545896189353
Energy: 2.2536230616725104
Energy: 1.5176545896189353
Energy: 2.0103758687872597
Energy: 1.5449247246399411
Energy: 1.9265654216272339
Energy: 1.5449247246399411
Energy: 2.061500130113539
Energy: 1.483203632456198
Energy: 1.8922514958923058
Energy: 1.483203632456198
Energy: 2.0102734822145334
Energy: 1.5117562729069807
Energy: 2.0207987757168664
Energy: 1.5117562729069807
Energy: 1.8369267503723559
Energy: 1.4832310574787917
Energy: 2.0438442582526206
Energy: 1.4832310574787917
Energy: 2.061053635974493
Energy: 1.4883275378392786
Energy: 2.10722553941503
Energy: 1.4883275378392786
Energy: 1.9017860790227041
Energy: 1.4824738853169277
Energy: 1.9167737500334256
Energy: 1.4824738853169277
Energy: 2.0423301957927875
Energy: 1.538109721693514
Energy: 1.9170646824031867
Energy: 1.538109721693514
Energy: 1.8978568994911322
Energy: 1.4827172158824626
Energy: 1.9205763243628637
Energy: 1.4827172158824626
Energy: 2.043682311232649
Energy: 1.4890171068241878
Energy: 2.105471205905718
Energy: 1.4890171068229423
Energy: 1.8363673055520484
Energy: 1.4809264382131104
Energy: 2.0244392156904354
Energy: 1.4809264382131104
Energy: 2.041590358761439
Energy: 1.4888153463081388
Energy: 2.032980583709102
Energy: 1.4888153463081388
Energy: 2.043164314426337
Energy: 1.481430435200403
Energy: 1.890733218773601
Energy: 1.481430435200403
Energy: 2.011623192465712
Energy: 1.4809593016906382
Energy: 1.9263936363617988
Energy: 1.4809593016906382
Energy: 1.872473883316885
Energy: 1.515480162263274
Energy: 2.153784893441778
Energy: 1.515480162263274
Energy: 1.8609393063108122
Energy: 1.6251644168239214
Energy: 2.0408479476774617
Energy: 1.6251644168239214
Energy: 2.243842682651625
Energy: 1.5754652329231909
Energy: 2.2860879393115
Energy: 1.5754652329231909
Energy: 1.9444494662922795
Energy: 1.5760489716437998
Energy: 1.9209575328835737
Energy: 1.5760489716425545
Energy: 1.8711328575828579
Energy: 1.515505440484297
Energy: 2.154437776383319
Energy: 1.515505440484297
Energy: 1.9406034021204503
Energy: 1.5404325266305194
Energy: 2.040669124402456
Energy: 1.5404325266305194
Energy: 2.04294831822301
Energy: 1.4810003929195925
Energy: 1.8899707508059307
Energy: 1.4810003929195925
Energy: 2.1068929048458416
Energy: 1.4803533675800493
Energy: 2.0225212673220376
Energy: 1.4803533675800493
Energy: 1.8367765070791673
Energy: 1.480659108056162
Energy: 2.0246228932481047
Energy: 1.480659108056162
Energy: 1.9750306952701118
Energy: 1.4897935123483785
Energy: 2.019642287923976
Energy: 1.4897935123483785

minimum gb energy = 1.4803533675800493 eV
minimum distance =  2.48710564345667 Angstroms
sigma value = 41


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

Energy: 2.2572755262270814
Energy: 1.4408024126773171
Energy: 2.0875785643818343
Energy: 1.440802412678338
Energy: 1.7663194239614493
Energy: 1.4179281301829907
Energy: 1.8415505027711805
Energy: 1.4179281300605546
Energy: 1.7277334701784444
Energy: 1.3983160652831197
Energy: 2.130136253776741
Energy: 1.3983160652841407
Energy: 1.8258209956501854
Energy: 1.4461311862313906
Energy: 1.841516726641204
Energy: 1.4461311862313906
Energy: 2.1000399600612933
Energy: 1.3574317507626685
Energy: 1.7324326808978954
Energy: 1.3574317507626685
Energy: 1.8255999013096205
Energy: 1.4089070526631238
Energy: 1.8863258875401083
Energy: 1.408907052664145
Energy: 1.7808640358666208
Energy: 1.3388208548566567
Energy: 1.9539454688063835
Energy: 1.3388208548566567
Energy: 1.8918808567864778
Energy: 1.3820840545689212
Energy: 1.8864053587794696
Energy: 1.3820840545689212
Energy: 1.9457035158717926
Energy: 1.3390295266148622
Energy: 1.7471729298662901
Energy: 1.3390295266148622
Energy: 1.9372556153953233
Energy: 1.4035885804346553
Energy: 1.9419251102308155
Energy: 1.4035885804346553
Energy: 1.8307732789491042
Energy: 1.3383946011732994
Energy: 1.8262197761470813
Energy: 1.3383946011743206
Energy: 1.829189360569325
Energy: 1.3770943256343093
Energy: 1.9253439837627524
Energy: 1.3770943256343093
Energy: 1.839913295700534
Energy: 1.3385607339132422
Energy: 1.8175478778525498
Energy: 1.3385607339132422
Energy: 1.9368718254859565
Energy: 1.341191213966741
Energy: 1.9360254071742158
Energy: 1.341191213966741
Energy: 1.9152585902455532
Energy: 1.3382318644765483
Energy: 1.7480403499573436
Energy: 1.3382318644755276
Energy: 1.9261115994508562
Energy: 1.34134518310379
Energy: 1.9295835840981594
Energy: 1.34134518310379
Energy: 1.782392720051119
Energy: 1.33875230535398
Energy: 1.9252356397821155
Energy: 1.338752305352959
Energy: 1.8263547888641833
Energy: 1.3439158321809748
Energy: 1.8876061365547225
Energy: 1.3439158321809748
Energy: 1.9591837177023377
Energy: 1.356523499572918
Energy: 1.7287992447140685
Energy: 1.356523499572918
Energy: 1.9025505934929585
Energy: 1.4163599454263593
Energy: 1.7538793854164092
Energy: 1.4163599454263593
Energy: 1.7240470929512304
Energy: 1.3948693039267157
Energy: 2.0294750622892717
Energy: 1.3948693039277367
Energy: 1.7661045773579225
Energy: 1.4521086705702018
Energy: 1.8412566887212105
Energy: 1.4521086705691806
Energy: 1.971694897340696
Energy: 1.4376282719148783
Energy: 2.063479095709564
Energy: 1.4376282719148783
Energy: 1.8790078568861481
Energy: 1.4688578181069558
Energy: 1.7536846800177763
Energy: 1.4688578181069558
Energy: 1.7233453077207077
Energy: 1.3940037432409003
Energy: 2.029568344860937
Energy: 1.3940037432398795
Energy: 1.8267070216288923
Energy: 1.3947362249130069
Energy: 1.841550118304221
Energy: 1.3947362249130069
Energy: 1.9590746566410504
Energy: 1.3623275038956388
Energy: 1.7281519224985913
Energy: 1.3623275038946177
Energy: 1.900299575283994
Energy: 1.3748947479653024
Energy: 1.835085683397273
Energy: 1.3748947479653024
Energy: 1.7793473527694663
Energy: 1.3375532165473847
Energy: 1.925102046528505
Energy: 1.3375532165473847
Energy: 1.8920316083737507
Energy: 1.3392121430272392
Energy: 1.8871582563556086
Energy: 1.3392121430272392
Energy: 1.9156383730546653
Energy: 1.3438769766219207
Energy: 1.745597923784532
Energy: 1.3438769766229417
Energy: 1.9285901454762444
Energy: 1.3435739505055568
Energy: 1.8640368177482
Energy: 1.3435739505055568

minimum gb energy = 1.3375532165473847 eV
minimum distance =  2.49314616387198 Angstroms
sigma value = 15


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

Energy: 2.1049426594927056
Energy: 1.3418144214497536
Energy: 1.9070348199711522
Energy: 1.3418144214497536
Energy: 1.7153808568306699
Energy: 1.3839051174287509
Energy: 1.6924695027365697
Energy: 1.3839051174287509
Energy: 1.6064036108806115
Energy: 1.2902815511745085
Energy: 2.0257118834421015
Energy: 1.2902815511745085
Energy: 1.7448315574479563
Energy: 1.342262918969547
Energy: 1.6923117269053618
Energy: 1.342262918971277
Energy: 1.9934320197813113
Energy: 1.2641906755474355
Energy: 1.606163830339843
Energy: 1.2641906755474355
Energy: 1.7447236808423738
Energy: 1.2954829286954523
Energy: 1.7359000156778326
Energy: 1.2954829287006424
Energy: 1.6386304473716993
Energy: 1.2393421902944568
Energy: 1.880986207220795
Energy: 1.2393421902944568
Energy: 1.7944866310402245
Energy: 1.2738832914729397
Energy: 1.7348585912543506
Energy: 1.2738832914720748
Energy: 1.8625556513978885
Energy: 1.2277142181202163
Energy: 1.6179944265941086
Energy: 1.2277142181202163
Energy: 1.7953341624409327
Energy: 1.251061723302884
Energy: 1.7995174675351675
Energy: 1.251061723302884
Energy: 1.6768541459478177
Energy: 1.2277713004063837
Energy: 1.7622319072169796
Energy: 1.2277713004063837
Energy: 1.8017655378046806
Energy: 1.2703718776482862
Energy: 1.7972122326013587
Energy: 1.2703718776482862
Energy: 1.7574828560786155
Energy: 1.2283398802146226
Energy: 1.6692566407781344
Energy: 1.2283398802146226
Energy: 1.8080685729119803
Energy: 1.2494064655360855
Energy: 1.7880892236076609
Energy: 1.2494064655360855
Energy: 1.7495267486759645
Energy: 1.227731028651307
Energy: 1.6755699509848805
Energy: 1.2277310286521719
Energy: 1.800134458443006
Energy: 1.2504652476725775
Energy: 1.8131473653524428
Energy: 1.2504652476725775
Energy: 1.6847278977746918
Energy: 1.2312235442393917
Energy: 1.7544383267342067
Energy: 1.2312235442393917
Energy: 1.7937952216597521
Energy: 1.2320690266102126
Energy: 1.7945139324607708
Energy: 1.2320690266110774
Energy: 1.8263600930093686
Energy: 1.2276685475309554
Energy: 1.617188304869535
Energy: 1.2276685475309554
Energy: 1.77527886744001
Energy: 1.25502611199292
Energy: 1.7356069534425498
Energy: 1.25502611199292
Energy: 1.6383155172995956
Energy: 1.24293221871953
Energy: 1.845862010578416
Energy: 1.24293221871953
Energy: 1.6830977341552236
Energy: 1.2812669674541353
Energy: 1.7852958510713437
Energy: 1.2812669674550001
Energy: 1.8653643179162125
Energy: 1.2672984236855802
Energy: 1.6036297928826566
Energy: 1.2672984236847153
Energy: 1.7427695400737553
Energy: 1.3377123945370573
Energy: 1.6919604933971086
Energy: 1.3377123945370573
Energy: 1.603508872798457
Energy: 1.2943006594781878
Energy: 1.8352811482663531
Energy: 1.2943006594781878
Energy: 1.6328390245280955
Energy: 1.3592133721242523
Energy: 1.7711231003518755
Energy: 1.3592133721242523
Energy: 1.7298798551712893
Energy: 1.3317476898966722
Energy: 1.8902991533005642
Energy: 1.3317476898966722
Energy: 1.7167648873173005
Energy: 1.3841280942073961
Energy: 1.6916638671490427
Energy: 1.3841280942073961
Energy: 1.6153060109722248
Energy: 1.2942622667953
Energy: 1.836931376968438
Energy: 1.2942622667953
Energy: 1.6828843633002175
Energy: 1.3114581234133222
Energy: 1.7672639421760004
Energy: 1.3114581234133222
Energy: 1.8652456275629765
Energy: 1.2683011795587487
Energy: 1.6163497224052825
Energy: 1.2683011795587487
Energy: 1.743318057481172
Energy: 1.3003026800176722
Energy: 1.7352937784100357
Energy: 1.3003026800168074
Energy: 1.6470728722765458
Energy: 1.2430843021729072
Energy: 1.8458674781145523
Energy: 1.243084302173772
Energy: 1.739688120995328
Energy: 1.2499603390015552
Energy: 1.784915995894223
Energy: 1.2499603390015552
Energy: 1.8263832073934467
Energy: 1.2317069206003293
Energy: 1.700555002797099
Energy: 1.2317069205994642
Energy: 1.7751970491194866
Energy: 1.2560263212850924
Energy: 1.7801902431040826
Energy: 1.2560263212859577
Energy: 1.6788303106057925
Energy: 1.2317294620734138
Energy: 1.7537670943876638
Energy: 1.2317294620725487

minimum gb energy = 1.2276685475309554 eV
minimum distance =  2.50150783893746 Angstroms
sigma value = 85


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

Energy: 2.1049295913163397
Energy: 1.2651833556425132
Energy: 1.7544704056853344
Energy: 1.2651833556425132
Energy: 1.5746056317133446
Energy: 1.2831076626758642
Energy: 1.636365270297023
Energy: 1.2831076690648264
Energy: 1.4940713572957927
Energy: 1.2384717364785574
Energy: 2.0462805652929195
Energy: 1.2384717364785574
Energy: 1.6074025486977128
Energy: 1.2242538901047664
Energy: 1.6356819408087602
Energy: 1.2242538901047664
Energy: 1.9625959840499703
Energy: 1.185326618519743
Energy: 1.4954277286458502
Energy: 1.185326618519743
Energy: 1.6070810409740839
Energy: 1.1906269830029268
Energy: 1.6468060435136609
Energy: 1.1906269830044276
Energy: 1.5223463265780233
Energy: 1.1687230555133326
Energy: 1.9226687411783427
Energy: 1.1687230555133326
Energy: 1.6355756068021319
Energy: 1.1609634172018697
Energy: 1.6465587321434143
Energy: 1.160963417189116
Energy: 1.8149297065238232
Energy: 1.1350644318110472
Energy: 1.5718743464214502
Energy: 1.1350644318110472
Energy: 1.6357349373172598
Energy: 1.1466429928692854
Energy: 1.6681608595998962
Energy: 1.1466429928692854
Energy: 1.543333572685898
Energy: 1.1348961366203019
Energy: 1.7923151224302114
Energy: 1.1348961366210522
Energy: 1.6756808728557928
Energy: 1.1381561982787316
Energy: 1.6689292525942356
Energy: 1.1381561982787316
Energy: 1.696009475775473
Energy: 1.1373031741001967
Energy: 1.6039684564680141
Energy: 1.1373031741001967
Energy: 1.670009407070376
Energy: 1.1585317023726671
Energy: 1.676830276753978
Energy: 1.1585317023726671
Energy: 1.593287145568147
Energy: 1.1356749052497266
Energy: 1.6906032329329481
Energy: 1.1356749052497266
Energy: 1.6677374016568578
Energy: 1.145251364634839
Energy: 1.6658401283222832
Energy: 1.145251364634839
Energy: 1.6061132091083918
Energy: 1.1383735948045068
Energy: 1.6587686775052528
Energy: 1.1383735948037565
Energy: 1.6689276078524928
Energy: 1.1461580679605987
Energy: 1.6759426135495539
Energy: 1.1461580679605987
Energy: 1.6641387305571629
Energy: 1.1384417341818696
Energy: 1.617716794474035
Energy: 1.1384417341818696
Energy: 1.6685311513401118
Energy: 1.1229968070210652
Energy: 1.6667457977823865
Energy: 1.1229968070218153
Energy: 1.5476725529035043
Energy: 1.1377783040026623
Energy: 1.6977315259472847
Energy: 1.1377783040026623
Energy: 1.6351481438389626
Energy: 1.1362988753186511
Energy: 1.6671180962818597
Energy: 1.1362988753186511
Energy: 1.6880451450523348
Energy: 1.1378211242694911
Energy: 1.5719230126337913
Energy: 1.1378211242694911
Energy: 1.6765794445547224
Energy: 1.3204586688769488
Energy: 1.5953764133040091
Energy: 1.3204586688769488
Energy: 1.5220453503700646
Energy: 1.171451724394124
Energy: 1.6832931339172117
Energy: 1.171451724394124
Energy: 1.6066292754566367
Energy: 1.3512199956613649
Energy: 1.6462903447183577
Energy: 1.3512199956613649
Energy: 1.718621706507057
Energy: 1.1829050947960966
Energy: 1.4939265703735014
Energy: 1.1829050947960966
Energy: 1.6744575514386824
Energy: 1.2176978357806367
Energy: 1.5479606917493876
Energy: 1.2176978357806367
Energy: 1.491943198585118
Energy: 1.235511147905405
Energy: 1.6641619267187147
Energy: 1.235511147904655
Energy: 1.5741861575377263
Energy: 1.2760041041532373
Energy: 1.6356337218179904
Energy: 1.276004104152487
Energy: 1.7246914595857206
Energy: 1.26500961897204
Energy: 1.738919979296947
Energy: 1.26500961897204
Energy: 1.6813832681073835
Energy: 1.2596832956712745
Energy: 1.5477856603654367
Energy: 1.2596832956712745
Energy: 1.4917663344305048
Energy: 1.2355068467859185
Energy: 1.6642235771299738
Energy: 1.2355068467851684
Energy: 1.606701821623931
Energy: 1.2243142497236936
Energy: 1.6355040766057252
Energy: 1.2243142497236936
Energy: 1.717703687354488
Energy: 1.1828226659765897
Energy: 1.4942594915902188
Energy: 1.1828226659765897
Energy: 1.6743258554393565
Energy: 1.1770033395174033
Energy: 1.5955142360711905
Energy: 1.1770033395174033
Energy: 1.5214134679460147
Energy: 1.1713474958604289
Energy: 1.6836202494425252
Energy: 1.1713474958604289
Energy: 1.6348825910424973
Energy: 1.1615352928385214
Energy: 1.6459968674509922
Energy: 1.1615352928385214
Energy: 1.7184006491541428
Energy: 1.137606199115547
Energy: 1.573373119045272
Energy: 1.137606199115547
Energy: 1.676489555329999
Energy: 1.1327630782412732
Energy: 1.6404004306187088
Energy: 1.1327630782412732
Energy: 1.5446429497523688
Energy: 1.1375251181930592
Energy: 1.698058224736543
Energy: 1.1375251181930592
Energy: 1.674861799759753
Energy: 1.1370249901039804
Energy: 1.6669880475035859
Energy: 1.1370249901039804
Energy: 1.6638998424803477
Energy: 1.1221478920152945
Energy: 1.6036310072541986
Energy: 1.1221478920152945

minimum gb energy = 1.1221478920152945 eV
minimum distance =  2.50756162191439 Angstroms
sigma value = 113


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

Energy: 0.018848335268978375
Energy: 0.01965140331298763
Energy: 1.979763731963441
Energy: 0.01965140331298763
Energy: 0.01999017736923094
Energy: 1.4370131623599764
Energy: 0.01999017736923094
Energy: 1.4370131623599764
Energy: 1.979763731963441
Energy: 0.01965140331298763
Energy: 0.018848335268978375
Energy: 0.01965140331298763
Energy: 0.01999017736923094
Energy: 1.4370131623599764
Energy: 0.01999017736923094
Energy: 1.4370131623599764
Energy: 0.018848335268978375
Energy: 0.01965140331298763
Energy: 1.979763731963441
Energy: 0.01965140331298763
Energy: 0.01999017736923094
Energy: 1.4370131623599764
Energy: 0.01999017736923094
Energy: 1.4370131623599764

minimum gb energy = 0.018848335268978375 eV
minimum distance =  2.723036157518 Angstroms
sigma value = 1