Model name: model_name=EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.869337007403374
cohesive_energy=3.206600283772908
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.249087345222446e-19, 1.7906406714574198e-19, 2.22495871340214e-19, 2.59003068122538e-19, 2.89389950162982e-19, 3.1467870615403797e-19, 3.3674548493411997e-19, 3.5623596368673e-19, 3.73893552370044e-19, 3.9127556667230996e-19, 4.08008699437806e-19, 4.2378212839953596e-19, 4.38438840247368e-19, 4.5190994138604e-19, 4.64171399166042e-19, 4.75223213587374e-19, 4.85084610769644e-19, 4.936995145306619e-19, 5.0056804576062e-19, 5.05781528527656e-19, 5.0952421314468e-19, 5.1193548897885e-19, 5.13271704291606e-19, 5.137139050425899e-19, 5.1322363899258595e-19, 5.11610247122148e-19, 5.08630198582908e-19, 5.03991897227478e-19, 4.9734767072628e-19, 4.88274544447938e-19, 4.762630262228399e-19, 4.60693073693628e-19, 4.4079884642925e-19, 4.15641468922182e-19, 3.8405295440623796e-19, 3.44961446713272e-19, 2.9674714526631e-19, 2.3706446347317597e-19, 1.62894900555414e-19, 7.03671171122898e-20, -4.5539467556499e-20, -1.9129508356969798e-19, -3.7527943515845395e-19, -6.120074415384899e-19, -9.18697694995404e-19, -1.31505857030403e-18, -1.8269299722175198e-18, -2.50466671016586e-18, -3.4193653722827997e-18, -4.6991039586903e-18, -6.52263731644374e-18, -1.431234000212004e-17, -3.652161637203e-16]
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: 0.01322010814570672
Energy: 0.2927387208213476
Energy: 0.29214357383747735
Energy: 0.6434121528247504
Energy: 0.641852495441393
Energy: 0.2341244554694076
Energy: 0.013845763262012421
Energy: 0.07807140590980838
Energy: 0.6410697820189204
Energy: 0.17879973104479838
Energy: 0.40719730485567446
Energy: 0.5429791656277194
Energy: 0.013987090170800376
Energy: 0.07877418571268807
Energy: 0.013791575458621209
Energy: 0.6414466348185028
Energy: 0.40729895838832686
Energy: 0.40711601863269054
Energy: 0.5414625533024985
Energy: 0.077879132273985
Energy: 0.07878726043178573
Energy: 0.015253817569339119
Energy: 0.292453422027563
Energy: 0.4073401555342813
Energy: 0.6433052905751835
Energy: 0.6417086719661951
Energy: 0.07830861923498784
Energy: 0.013895356748049552
Energy: 0.23203716559546
Energy: 0.6412154704736359
Energy: 0.1787914704699006
Energy: 0.2922362860510223
Energy: 0.4608287196722032
Energy: 0.013837429075829523
Energy: 0.07844208058107613
Energy: 0.013680723745629017
Energy: 0.6013234063699964
Energy: 0.40736275035211783
Energy: 0.4073248235144065
Energy: 0.5413280266104206
Energy: 0.07790986300769565
Energy: 0.07894761284462654

minimum gb energy = 0.01322010814570672 eV
minimum distance =  2.71174760626195 Angstroms
sigma value = 5


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

Energy: 0.917857900380536
Energy: 0.9966281184967027
Energy: 0.9219746310441894
Energy: 0.8755472264452814
Energy: 0.853668815455922
Energy: 0.8350531414977872
Energy: 1.0591393493840655
Energy: 0.8171118692948808
Energy: 0.8050257565138298
Energy: 0.8070402195831802
Energy: 0.8869950409947698
Energy: 0.8200311376961443
Energy: 0.8367708202471819
Energy: 0.899699955918403
Energy: 0.816163045755779
Energy: 0.8795835088544511
Energy: 0.8885949168873527
Energy: 0.8337012877049793
Energy: 0.8612898338798479
Energy: 0.8608524308841815
Energy: 0.8513159543545897
Energy: 0.8505561859721059
Energy: 0.8887185851300796
Energy: 0.8288774922396989
Energy: 0.9018931352344707
Energy: 0.8467227032995516
Energy: 0.8180275206391713
Energy: 0.8409317439145921
Energy: 0.8225520163553116
Energy: 0.8216412604903499
Energy: 0.8255208561881341
Energy: 0.8433048781391644
Energy: 0.8636957758151852
Energy: 0.8507262775775127
Energy: 0.8421792054968896
Energy: 0.8350771233315144
Energy: 0.8726146202435558
Energy: 0.813574301350288
Energy: 0.8521640750651646
Energy: 0.8637448817675834
Energy: 0.8346907487314736
Energy: 0.8901964163594002
Energy: 0.8484659467032248
Energy: 0.8307858881719444
Energy: 0.9108610326667779
Energy: 0.8290622704266336
Energy: 0.8866317591393202
Energy: 0.9037933016089282
Energy: 0.8588202329869367
Energy: 0.8414756150354448
Energy: 0.9091362420920954
Energy: 0.8578594670465721
Energy: 0.8665891336758631
Energy: 0.8568027385109316
Energy: 0.848704249261274
Energy: 0.9582776724834763
Energy: 0.8532878580541841
Energy: 0.8524291904121755
Energy: 0.8045545158897531
Energy: 0.8411088238161412
Energy: 0.9039949775790691
Energy: 0.8270743241616076
Energy: 0.8701783627264066
Energy: 0.8145468456192896
Energy: 0.866998485779023
Energy: 0.8457922700197843
Energy: 0.9069255419397099
Energy: 0.8969486944377295
Energy: 0.8344307295042374
Energy: 0.883338351169605
Energy: 0.8380145541968891
Energy: 0.897797117104199
Energy: 0.9234872668096744
Energy: 0.9057539476588774
Energy: 0.8744320400155775
Energy: 0.8372264980488695
Energy: 0.8717693401288272
Energy: 0.811085118169048
Energy: 0.8106521500467186
Energy: 0.8256055483416054
Energy: 0.8826969024857575
Energy: 0.8728685563015693
Energy: 0.8557608872415616
Energy: 0.835117652706439
Energy: 0.8165583572598383
Energy: 0.8850052399412307
Energy: 0.8613784908179141
Energy: 0.8702760807032093
Energy: 0.9276489147157927
Energy: 0.8475881565144767
Energy: 0.8508121158746479
Energy: 0.8669776595953556
Energy: 0.8487087770137963
Energy: 0.8779930419679437
Energy: 0.8849677354765189
Energy: 0.838654237347345
Energy: 0.9497963418380487
Energy: 0.9350931661285369
Energy: 0.8440776881289327
Energy: 0.8815564812020955
Energy: 0.807116523145957
Energy: 0.8539174576669659
Energy: 0.8980140652334563
Energy: 0.8466224696954127
Energy: 0.8700235479635796
Energy: 0.8466146953781257
Energy: 0.8701626251256528
Energy: 0.8857357655269201
Energy: 0.9053945921188277
Energy: 0.8992101379077609
Energy: 0.850002866840506
Energy: 0.8584948233726651
Energy: 0.8670830357502701
Energy: 0.8534977322879892
Energy: 0.8740472051455156
Energy: 0.8671620812086425
Energy: 0.8817833320092617
Energy: 0.9063038388827033
Energy: 0.8431273653668766
Energy: 0.8173553273549882
Energy: 0.8427320774910045
Energy: 0.8591603361003363
Energy: 0.8950791485519478
Energy: 0.9064551771053369
Energy: 0.8887984224588652
Energy: 0.9115998777723064
Energy: 0.8166617568580834
Energy: 0.8991313341917518
Energy: 0.8145271623137597
Energy: 0.8655806056910943
Energy: 0.8429820588015813
Energy: 0.8168270880530608
Energy: 0.8524447955026754
Energy: 0.8636917867313948
Energy: 0.8296597299810468
Energy: 0.828068010620173
Energy: 0.8730932039480847
Energy: 0.8648286383154402
Energy: 0.9022627257611531
Energy: 0.8533949178180685
Energy: 0.7996416308306638
Energy: 0.932398332789664
Energy: 0.8284776000402864
Energy: 0.8449885330147477
Energy: 0.8983723318245903
Energy: 0.8643660333020975
Energy: 0.8913808188037496
Energy: 0.956973350747751
Energy: 0.8448661554054907
Energy: 0.8977461868210669
Energy: 0.8810722733599938
Energy: 0.8666898952675095
Energy: 0.8763635995269289
Energy: 0.8296871292880181
Energy: 0.8307933893576488
Energy: 0.8822726857670325
Energy: 0.8718572450805541
Energy: 0.8840325452620391
Energy: 0.817678534859853
Energy: 0.8320258719732337
Energy: 0.8382947093614148
Energy: 0.8249386861590449
Energy: 0.8898646151987135
Energy: 0.8864283618227006
Energy: 0.8357860652422429
Energy: 0.8830962372399149
Energy: 0.8247097112533682
Energy: 0.8606739583216871
Energy: 0.8131521384372487
Energy: 0.8089937026762903
Energy: 0.8120408415649821
Energy: 0.8832880591364601
Energy: 0.8592384299159355
Energy: 0.8140336375031801
Energy: 0.8932293073409413
Energy: 0.8349459655971546
Energy: 0.8834226809696244
Energy: 0.9077119936487621
Energy: 0.8552265555112983
Energy: 0.862065843680667
Energy: 0.918872076148492
Energy: 0.883138549634485
Energy: 0.8251077059402911
Energy: 0.8341312676565639
Energy: 0.8345212962035156
Energy: 0.8683547020520392
Energy: 0.8279565317730209
Energy: 0.8194286769880963
Energy: 0.8355869204323274
Energy: 0.8365552162347497
Energy: 0.8329398328590114
Energy: 0.8239760096830643
Energy: 0.8384417462830831
Energy: 0.8225507036514432
Energy: 0.8540934049281633
Energy: 0.8482734246454718
Energy: 0.8338322248377303
Energy: 0.8657939392710183
Energy: 0.8241360194932914
Energy: 0.8524265040725213
Energy: 0.8431979080185986
Energy: 0.8189833608988798
Energy: 0.8499126372407921
Energy: 0.9016806476450523
Energy: 0.8782965098397
Energy: 0.8268349417092935
Energy: 0.847435914794313
Energy: 0.881329187673194
Energy: 0.9071325816973697
Energy: 0.8771309040865564
Energy: 0.8919381976777836
Energy: 0.8545187596362744
Energy: 0.8629613677484904
Energy: 0.8592717458951279
Energy: 0.8615956844822368
Energy: 0.8534270677063659
Energy: 0.8469632693758098
Energy: 0.8264989867131246
Energy: 0.8743994763933978
Energy: 0.8563427826844331
Energy: 0.846439257450192
Energy: 0.8946148354486466
Energy: 0.8335941622692102
Energy: 0.8700900552710418
Energy: 0.8165264181313767
Energy: 0.8453535750235354
Energy: 0.8589786151304878
Energy: 0.9091151872003561
Energy: 0.921839277521134
Energy: 0.839843278355765
Energy: 0.8674160589806499
Energy: 0.8334942594895973
Energy: 0.9146342522738672
Energy: 0.8478492932924203
Energy: 0.9135646806017651
Energy: 0.8683063179540694
Energy: 0.8510704162494402
Energy: 0.8421725416632464
Energy: 0.9746329857785618
Energy: 0.8354811212182535
Energy: 0.885345013266737
Energy: 0.9034452067441515
Energy: 0.8296062386027167
Energy: 0.8455832475374541
Energy: 0.8343329859571931
Energy: 0.8646386930270341
Energy: 0.8775793300753061
Energy: 0.8565696212649642
Energy: 0.8688057387998448
Energy: 0.9214516208401954
Energy: 0.8567781295218329
Energy: 0.8882620065890671
Energy: 0.8763326633573999
Energy: 0.8297340629978278
Energy: 0.8802154884957758
Energy: 0.8960108524909154
Energy: 0.8399682526746584
Energy: 0.8739196209551239
Energy: 0.9023090113292036
Energy: 0.8641441205630451
Energy: 0.858143694687246
Energy: 0.8224066718893064
Energy: 0.8482271020949967
Energy: 0.8987600955285013
Energy: 0.8459837556823329
Energy: 0.8718397048211226
Energy: 0.8169167805010554
Energy: 0.8516644358642952
Energy: 0.8887717286274283
Energy: 0.9116442653052063
Energy: 0.9042273634248493
Energy: 0.8377453158291105
Energy: 0.8531334651440811
Energy: 0.8620205131851366
Energy: 0.838072162877832
Energy: 0.8061430231625532
Energy: 0.8570876573295692
Energy: 0.8825318129803286
Energy: 0.91459363793234
Energy: 0.9638736977532711
Energy: 0.8103576327214658
Energy: 0.8471112147291467
Energy: 0.8452017418425372
Energy: 0.8974772127531776
Energy: 0.8792619464256242
Energy: 0.8843891247457679
Energy: 0.8873513054136538
Energy: 0.8077149267976899
Energy: 0.8703310933899405
Energy: 0.8231582686426696
Energy: 0.859502971431953
Energy: 0.8557028285648334
Energy: 0.8225971642389707
Energy: 0.8546393745023833
Energy: 0.8636668774473439
Energy: 0.8364388411006611
Energy: 0.8573494075231194
Energy: 0.8623752586945591
Energy: 0.8513172628834326
Energy: 0.9025990207436815
Energy: 0.8876935461331964
Energy: 0.800331614432664
Energy: 0.8954552598763743
Energy: 0.8251786246874143
Energy: 0.8552660657005294
Energy: 0.9032496225058051
Energy: 0.8570890673116739
Energy: 0.8736950528029748
Energy: 0.9632137755852045
Energy: 0.8658766314805996
Energy: 0.8288504993275608
Energy: 0.8563080219207712
Energy: 0.8394846030250319
Energy: 0.8337940514541393
Energy: 0.8293233053331185
Energy: 0.8327425710003786
Energy: 0.8825797426076383
Energy: 0.8937523336702416
Energy: 0.8662604903892275
Energy: 0.8615304755784998
Energy: 0.8322370840391661
Energy: 0.8125667815215473
Energy: 0.8226823434801159
Energy: 0.9003495221655012
Energy: 0.8637879935205937
Energy: 0.8901815813330369
Energy: 0.8333522180054483
Energy: 0.8233892470352825
Energy: 0.8590695452362096

minimum gb energy = 0.7996416308306638 eV
minimum distance =  2.4660429823727 Angstroms
sigma value = 401


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

Energy: 0.9119985418044819
Energy: 0.9954476394602171
Energy: 0.8673264747701492
Energy: 0.8242216192567888
Energy: 0.9103654551388107
Energy: 0.8342379705035975
Energy: 0.9104484974066214
Energy: 0.8198761157175951
Energy: 0.8309032993515367
Energy: 0.8366542913172926
Energy: 0.9729653222692145
Energy: 0.8316183411403701
Energy: 0.8860063159590191
Energy: 0.888695183964622
Energy: 0.8173719186905041
Energy: 0.8639959303589009
Energy: 0.8677768813247302
Energy: 0.829963988232098
Energy: 0.8728418036331688
Energy: 0.8745092349379213
Energy: 0.8993068342727744
Energy: 0.8961307698837493
Energy: 0.8731225477083723
Energy: 0.8178831408305942
Energy: 0.8183472757538851
Energy: 0.8306993667783088
Energy: 0.8274906542044492
Energy: 0.878344450670493
Energy: 0.8197117176356832
Energy: 0.8482063525228496
Energy: 0.8219550174129183
Energy: 0.8729552106027898
Energy: 0.8265185741782927
Energy: 0.8207101716953099
Energy: 0.8391010264043739
Energy: 0.8219334610251059
Energy: 0.9202846879970685
Energy: 0.8259540348828027
Energy: 0.8448816254621037
Energy: 0.8178262717305269
Energy: 0.8182629938176466
Energy: 0.909081100186679
Energy: 0.8464826347965393
Energy: 0.8444086478995764
Energy: 0.8375694142464051
Energy: 0.8474710316477053
Energy: 0.8293486901913458
Energy: 0.891263966470752
Energy: 0.8965657535161444
Energy: 0.8509075609804125
Energy: 0.8515998972765135
Energy: 0.8535272889476806
Energy: 0.8295391593614522
Energy: 0.836701045893456
Energy: 0.877433713207928
Energy: 0.910214565273442
Energy: 0.8625001568949571
Energy: 0.8502517289264632
Energy: 0.8791889191011123
Energy: 0.8478277972983586
Energy: 0.8695448327823377
Energy: 0.8473703625084201
Energy: 0.8502659357807545
Energy: 0.8209123329431919
Energy: 0.8331441801749261
Energy: 0.8569960282809901
Energy: 0.8626013320509462
Energy: 0.8346760531753703
Energy: 0.8568158624112558
Energy: 0.8394116656666678
Energy: 0.8289202674608793
Energy: 0.8304079066747324
Energy: 0.8380611445842218
Energy: 0.822222485232484
Energy: 0.8512640428662149
Energy: 0.8313498913794852
Energy: 0.8653952021744927
Energy: 0.8188806023991155
Energy: 0.8279507580398586
Energy: 0.8197066893005532
Energy: 0.8436339249275278
Energy: 0.8334228959158363
Energy: 0.8593188090051556
Energy: 0.8257551587845848
Energy: 0.8664142593138696
Energy: 0.8695619463444092
Energy: 0.8565861907907478
Energy: 0.8263657346580219
Energy: 0.8495006371386523
Energy: 0.9118920426644228
Energy: 0.9020440558499428
Energy: 0.8982224016814373
Energy: 0.841625960604369
Energy: 0.954697928637936
Energy: 0.8395633868644429
Energy: 0.8432547948051472
Energy: 0.8769666801913513
Energy: 0.8664012075934785
Energy: 0.8276065277803722
Energy: 0.8787313474711971
Energy: 0.8429942374195021
Energy: 0.8560429903574951
Energy: 0.8260950217970943
Energy: 0.8204857426994959
Energy: 0.8972365832701644
Energy: 0.8389023802747121
Energy: 0.8936444564819338
Energy: 0.8247689728013244
Energy: 0.8350087765299032
Energy: 0.8211540574379436
Energy: 0.8157810269150566
Energy: 0.8953081538482057
Energy: 0.8988298902926071
Energy: 0.8572282886355355
Energy: 1.0039510381756276
Energy: 0.8123630325733914
Energy: 0.8227492753234364
Energy: 0.8646778722625909
Energy: 0.852960281624388
Energy: 0.8485288450703
Energy: 0.9057097270227661
Energy: 0.8741877341098013
Energy: 0.8132789817037761
Energy: 0.8356672973160186
Energy: 0.9094866444219039
Energy: 0.8819685707712339
Energy: 0.8765942459939692
Energy: 0.861886786520091
Energy: 0.850322748861414
Energy: 0.8244570547532954
Energy: 0.8401738146688292
Energy: 0.8921459837314918
Energy: 0.8397000775043642
Energy: 0.82391434860931
Energy: 0.8238215513241444
Energy: 0.8465076603045297
Energy: 0.8163298274295123
Energy: 0.8145237048628678
Energy: 0.8227125696079294
Energy: 0.8222478056646686
Energy: 0.8139201822956146
Energy: 0.8224184353951645
Energy: 0.859538210043696
Energy: 0.8521847799256835
Energy: 0.8201408115803606
Energy: 0.8301890818571712
Energy: 0.8223545664371615
Energy: 0.8154353288430698
Energy: 0.8225958606643187
Energy: 0.8514635718466391
Energy: 0.8219944366440649
Energy: 0.8558658790464461
Energy: 0.8388317027412168
Energy: 0.8218670241193877
Energy: 0.8249035600483712
Energy: 0.8231280763532851
Energy: 0.8534114102223024
Energy: 0.8339159706607588
Energy: 0.8174609588109583
Energy: 0.8691018288742902
Energy: 0.8540046263430151
Energy: 0.8517464053853262
Energy: 0.8609841975741442
Energy: 0.8508017241694403
Energy: 0.8223063605715848
Energy: 0.8740223987793202
Energy: 0.9591879922259997
Energy: 0.8882914307466732
Energy: 0.8497309979365284
Energy: 0.8706222862510373
Energy: 0.8430120056318121
Energy: 0.8184979282810774
Energy: 0.8229741096301885
Energy: 0.8196428191409033
Energy: 0.9103157611698816
Energy: 0.8570789685230304
Energy: 0.8552543222234288
Energy: 0.8272411987288524
Energy: 0.8320449272559114
Energy: 0.8258853921332514
Energy: 0.82373606559587
Energy: 0.8583264778903247
Energy: 0.8833034979175868
Energy: 0.8629265660261007
Energy: 0.8210107841710124
Energy: 0.8205115861552049
Energy: 0.8134399200180574
Energy: 0.8278230994610971
Energy: 0.9085670772967938
Energy: 0.8522798442737153
Energy: 0.8882002129749982
Energy: 0.8200158907035526
Energy: 0.8323262666599789
Energy: 0.8286344026060204
Energy: 0.8474488899719557
Energy: 0.8859773026501273
Energy: 0.8476983710636603
Energy: 0.8534540555862825
Energy: 0.8807814210875357
Energy: 0.8412182392131731
Energy: 0.8723582928529575
Energy: 0.8961930951708768
Energy: 0.889287172776988
Energy: 0.8303521980171256
Energy: 0.8773663870351882
Energy: 0.8521942646732434
Energy: 0.8279377171196611
Energy: 0.907898922375083
Energy: 0.8241968136030879
Energy: 0.8417474857028469
Energy: 0.8160818935422681
Energy: 0.8551924476009555
Energy: 0.8611825703925072
Energy: 0.8440172003856125
Energy: 0.8239084203878895
Energy: 0.8351256829621433
Energy: 0.8433276111934933
Energy: 0.8284776774873281
Energy: 0.8299273170110176
Energy: 0.8661787842866314
Energy: 0.8367249821159063
Energy: 0.8795836287555805
Energy: 0.8350693760501293
Energy: 0.8281307110251642
Energy: 0.8220224138710702
Energy: 0.83191628577437
Energy: 0.8467898266233472
Energy: 0.8157118582026627
Energy: 0.8305015503983265
Energy: 0.8940463124677401
Energy: 0.8760768472972119
Energy: 0.9824495954901077
Energy: 0.8764664114559952
Energy: 0.820526879739057
Energy: 0.8358752430588512
Energy: 0.860803528181504
Energy: 0.8974783537647215
Energy: 0.8907054044533923
Energy: 0.8681204342718182
Energy: 0.8861926021361302
Energy: 0.8481503259024373
Energy: 0.8405843295045308
Energy: 0.8265963829077075
Energy: 0.8392347052759359
Energy: 0.9379559847457702
Energy: 0.8488963295396231
Energy: 0.8509069495463216
Energy: 0.8675882592157728
Energy: 0.8510426187475559
Energy: 0.8143330964643957
Energy: 0.8253026296848884
Energy: 0.857573186538785
Energy: 0.8694552786407107
Energy: 0.9181800775740941
Energy: 0.8260206662607174
Energy: 0.8346511082485063
Energy: 0.8141268448640667
Energy: 0.8279826253393651
Energy: 0.9365363338880013
Energy: 0.8376492936653326
Energy: 0.8591844513370991
Energy: 0.8189331111432723
Energy: 0.8497231245800745
Energy: 0.8222375966437745
Energy: 0.8846776530333886
Energy: 0.9003218369451329
Energy: 0.8573701683774059
Energy: 0.8601386673218839
Energy: 0.8780588819862447
Energy: 0.8183373313188768
Energy: 0.8606465602504136
Energy: 0.8966612654712645
Energy: 0.8768296273884245
Energy: 0.8331834329585397
Energy: 0.8620475541101046
Energy: 0.8554458856403048
Energy: 0.8264491858016529
Energy: 0.8539383483575925
Energy: 0.8482222215225422
Energy: 0.8351902501446353
Energy: 0.8229938264340854
Energy: 0.8301988112851151
Energy: 0.8451801777197259
Energy: 0.857947909454797
Energy: 0.8308665566152406
Energy: 0.8578501286024643
Energy: 0.8430029349364724

minimum gb energy = 0.8123630325733914 eV
minimum distance =  2.47773681280316 Angstroms
sigma value = 311


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

Energy: 0.827651807107945
Energy: 0.8227724535428894
Energy: 0.8154776579225163
Energy: 0.8282039235190687
Energy: 0.8149295760417177
Energy: 0.8221044619024847
Energy: 0.8982436118648125
Energy: 0.8234460465612106
Energy: 0.8587796308977663
Energy: 0.821919323166554
Energy: 0.8293954517344994
Energy: 0.826320666625141
Energy: 0.8238142592675177
Energy: 0.8582229279947442
Energy: 0.859953027779818
Energy: 0.8384229506956004
Energy: 0.823424821197701
Energy: 0.8143686845575336
Energy: 0.8265350609703258
Energy: 0.8419746548602058
Energy: 0.8335401780454063
Energy: 0.8236492477535734
Energy: 0.9314033003431034
Energy: 0.8238150258724991
Energy: 0.9364588270140453
Energy: 0.8733169747984715
Energy: 0.8208624496554998
Energy: 0.8757574509483628
Energy: 0.8672004356357088
Energy: 0.8182469169781013
Energy: 0.8234497385024212
Energy: 0.8495606268582263
Energy: 0.823288910870761
Energy: 0.8505013186336532
Energy: 0.8480452987039024
Energy: 0.8157456368086772
Energy: 0.8331856850150788
Energy: 0.8257980842025043
Energy: 0.853356941053104
Energy: 0.8543637309732608
Energy: 0.8121157869238068
Energy: 0.8604092057776778
Energy: 0.9100404219631567
Energy: 0.8442860700418466
Energy: 0.8756131814976436
Energy: 0.8172205089193492
Energy: 0.8341201536399528
Energy: 0.8222643377190499
Energy: 0.8391956208548662
Energy: 0.8229641176349294
Energy: 0.8704626512476804
Energy: 0.8213982603680786
Energy: 0.8710722659472021
Energy: 0.8274621232361086
Energy: 0.8651483989462623
Energy: 0.8585624711029256
Energy: 0.8433562836202702
Energy: 0.8382150758736676
Energy: 0.8760934065695766
Energy: 0.8141298734161625
Energy: 0.8764706864668228
Energy: 0.8140445205393196
Energy: 0.8348772725724529
Energy: 0.8236408185394158
Energy: 0.8769138451813212
Energy: 0.8239185629156677
Energy: 0.887127640202065
Energy: 0.8716970558306872
Energy: 0.8215012279095865
Energy: 0.8704336852077424
Energy: 0.8672391197535468
Energy: 0.8374978041079832
Energy: 0.8233382181259216
Energy: 0.849859358388261
Energy: 0.8262143692690325
Energy: 0.8505013584366614
Energy: 0.8505051223780936
Energy: 0.8124532770348082
Energy: 0.860285630060992
Energy: 0.8246408141111538
Energy: 0.847565225495079
Energy: 0.8296543406884969
Energy: 0.8148999483131208
Energy: 0.8329858265685086
Energy: 0.9095902995384146
Energy: 0.8575684361590036
Energy: 0.876324919080946
Energy: 0.8319007179157079
Energy: 0.8498192240766222
Energy: 0.835555592119843
Energy: 0.8384696286705198
Energy: 0.8230025512883458
Energy: 0.8708900528573722
Energy: 0.8214307240964035
Energy: 0.8712211457784483
Energy: 0.8707110173528851
Energy: 0.8652741987273678
Energy: 0.8772611900193888
Energy: 0.8445684626068347
Energy: 0.8377906888485375
Energy: 0.81960790971581
Energy: 0.8115869695256323
Energy: 0.865142380142319
Energy: 0.8135678473772961
Energy: 0.8124691931634915
Energy: 0.8237369604198911
Energy: 0.8584548990649664
Energy: 0.8225443018825686
Energy: 0.8778147391597492
Energy: 0.8719025034135702
Energy: 0.803560363864584
Energy: 0.8706417186382845
Energy: 0.8656531676934401
Energy: 0.8147991873281394
Energy: 0.8234325746477053
Energy: 0.8430268963318877
Energy: 0.825379325053165
Energy: 0.8505488086955575
Energy: 0.8353725402131283
Energy: 0.8127613638346576
Energy: 0.8600172698865453
Energy: 0.8329730346331613
Energy: 0.846855305341974
Energy: 0.8301979468732619
Energy: 0.8269627819211475
Energy: 0.8544070013556797
Energy: 0.9085590231230213
Energy: 0.8531161747296302
Energy: 0.8760991444019022
Energy: 0.818180694612184
Energy: 0.8431316774022432
Energy: 0.8263404792228815
Energy: 0.8368101042601379
Energy: 0.8646402050393122
Energy: 0.8500326915675239
Energy: 0.8217798551417346
Energy: 0.8712124298139293
Energy: 0.8701794545820775
Energy: 0.8668651077649746
Energy: 0.8794854692864379
Energy: 0.8442291203017585
Energy: 0.8368972348125411
Energy: 0.8200116391185611
Energy: 0.8264814078627515
Energy: 0.8121679050711156
Energy: 0.8108769335809559
Energy: 0.813639984834372
Energy: 0.8230376096330374
Energy: 0.8594969641544764
Energy: 0.8300627151122509
Energy: 0.845643212836292
Energy: 0.8354345590408437
Energy: 0.8082795425803246
Energy: 0.8912563670982595
Energy: 0.8241268402314006
Energy: 0.8291579787591493
Energy: 0.8216433648735278
Energy: 0.9098967228641335
Energy: 0.8225690988087406
Energy: 0.9091989451725504
Energy: 0.8282191192883581
Energy: 0.8751011691630726
Energy: 0.8601995664781262
Energy: 0.8322353512022014
Energy: 0.8540613927894767
Energy: 0.8312056631407185
Energy: 0.8321432917595024
Energy: 0.8775780143003201
Energy: 0.9083880367087184
Energy: 0.8358530652526428
Energy: 0.8760274126622546
Energy: 0.8184743369319336
Energy: 0.8481814710020584
Energy: 0.8246531347070896
Energy: 0.8592783021953782
Energy: 0.866178066423294
Energy: 0.8451666132171037
Energy: 0.8213890707956643
Energy: 0.8871984179493411
Energy: 0.8705129512236198
Energy: 0.9011861148592178
Energy: 0.8793293109056642
Energy: 0.8447574905706173
Energy: 0.8348469311150228
Energy: 0.8200748236590104
Energy: 0.8264078823804315
Energy: 0.8729747792321477
Energy: 0.8132800543785541
Energy: 0.8308096758564176
Energy: 0.8169286340387896
Energy: 0.859445486312018
Energy: 0.8287280235246847
Energy: 0.8414483144942294
Energy: 0.8358023941337082
Energy: 0.8091498187385054
Energy: 0.8115164466400556
Energy: 0.8237313703015999
Energy: 0.8311844758979618
Energy: 0.822775604126636
Energy: 0.8531789931336706
Energy: 0.8224350399964516
Energy: 0.8540519130963525
Energy: 0.8441651114376035
Energy: 0.8746437449015775
Energy: 0.8614293678711973
Energy: 0.8732275389032867
Energy: 0.8846389915962871
Energy: 0.8528841456156694
Energy: 0.8241039019297304
Energy: 0.8773452432133422
Energy: 0.9087514737335163
Energy: 0.831486749276649
Energy: 0.8745208137869689
Energy: 0.8183845172963881
Energy: 0.8425957810478416
Energy: 0.8177077802783864
Energy: 0.8513524647085503
Energy: 0.8285081482867994
Energy: 0.8373177433132797
Energy: 0.821671828716537
Energy: 0.885867397599539
Energy: 0.8710635813964613
Energy: 0.8740195418321732
Energy: 0.8261518804607528
Energy: 0.8632109406212708
Energy: 0.827948839986168
Energy: 0.8291745963864825
Energy: 0.8267918418846142
Energy: 0.8453474316455772
Energy: 0.8133978322038576
Energy: 0.8394717133594108
Energy: 0.8161211165912159
Energy: 0.8371532925210585
Energy: 0.8294429363218686
Energy: 0.8476638239419307
Energy: 0.850595300111569
Energy: 0.8117728251095832
Energy: 0.8271645985116617
Energy: 0.8235794281794134
Energy: 0.8701109337229695
Energy: 0.822746213575905
Energy: 0.8502270825540331
Energy: 0.8231682582693329
Energy: 0.8534223903741804
Energy: 0.8935198366503634
Energy: 0.8746373344088723
Energy: 0.8948657233997869
Energy: 0.8733100969576865
Energy: 0.8889402557263932
Energy: 0.8528400433217403
Energy: 0.8456918594956233
Energy: 0.8749979317647456

minimum gb energy = 0.803560363864584 eV
minimum distance =  2.49458930394125 Angstroms
sigma value = 39


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

Energy: 0.7647848680808252
Energy: 0.8240422841498153
Energy: 0.8444374382496396
Energy: 0.9314795418212941
Energy: 0.8731437499455332
Energy: 0.8757613055566574
Energy: 0.7427623197968319
Energy: 0.8074791583006087
Energy: 0.8033000798754685
Energy: 0.8746276612956604
Energy: 0.8440685518994464
Energy: 0.8040276114239289
Energy: 0.8078595715775367
Energy: 0.8284404908114514
Energy: 0.8085636279756571
Energy: 0.8212640620092371
Energy: 0.8722914330644864
Energy: 0.8364400078786753
Energy: 0.8032035270126144
Energy: 0.8077304386067498
Energy: 0.8202872106795511
Energy: 0.8091349526143984
Energy: 0.7981936043937803
Energy: 0.81246994124831
Energy: 0.813540189785869
Energy: 0.8452354698110268
Energy: 0.8180317608208766
Energy: 0.880992640435066
Energy: 0.8093257513234828
Energy: 0.8015663674209014
Energy: 0.8920219297898355
Energy: 0.8271509385369569
Energy: 0.8722129685185099
Energy: 0.8189732484004403
Energy: 0.8179213216397198
Energy: 0.7422596174269414
Energy: 0.8038058118767735
Energy: 0.8167455753660814
Energy: 0.8002965394848784
Energy: 0.8020755622902583
Energy: 0.8073281239286316
Energy: 0.8268993340585674
Energy: 0.8365350083612336
Energy: 0.8363194785621332
Energy: 0.812910312222441
Energy: 0.8458606556122559
Energy: 0.744700819419026
Energy: 0.7463569253672399
Energy: 0.8219316100881212
Energy: 0.74257576658492
Energy: 0.8036856192609173
Energy: 0.8441728513618058
Energy: 0.8584359257219486
Energy: 0.9084505651735789
Energy: 0.8248626406798806
Energy: 0.8066848736071229
Energy: 0.7426098752632597
Energy: 0.8035079011072767
Energy: 0.8358552891438242
Energy: 0.7980016548780949
Energy: 0.8009513729784826
Energy: 0.8203809125600033
Energy: 0.8271095939660534
Energy: 0.8367900209641951
Energy: 0.8323288697985668
Energy: 0.8177129955155106
Energy: 0.8360947337955508
Energy: 0.8016259391691576
Energy: 0.8075603143451914
Energy: 0.8902897095211679
Energy: 0.812915928607603
Energy: 0.8062942512988123
Energy: 0.8206634444801828
Energy: 0.7991519424290559
Energy: 0.8038409397718176
Energy: 0.8291300364852908
Energy: 0.8787854112175988
Energy: 0.8269458071055132
Energy: 0.8017114273380261
Energy: 0.7975468744613025
Energy: 0.8042482996124112
Energy: 0.8445863501637235
Energy: 0.8182668909143745
Energy: 0.8274430195314982
Energy: 0.7434972007020854
Energy: 0.8017925696677071
Energy: 0.8613325810946846
Energy: 0.8180571972590117
Energy: 0.8698815741447492
Energy: 0.8189287705316356
Energy: 0.806725095784461
Energy: 0.838539082228964
Energy: 0.798425761122325
Energy: 0.8263095491729444
Energy: 0.8373944247984536
Energy: 0.7448020851681011
Energy: 0.7449920536230686
Energy: 0.8139895708465057
Energy: 0.7435127543902218
Energy: 0.8002648281827502
Energy: 0.8122504661761553
Energy: 0.8361537383211797
Energy: 0.7433408146361187
Energy: 0.7430352648095007
Energy: 0.8271322294299985
Energy: 0.7429161248044984
Energy: 0.8029465926206594
Energy: 0.8376902815420825
Energy: 0.8193452980084301
Energy: 0.8731583184248273
Energy: 0.8756342853410483
Energy: 0.7442227196661773
Energy: 0.8072030769761026
Energy: 0.8025891384400257
Energy: 0.8747740429357143
Energy: 0.844201947768189
Energy: 0.803784594766623
Energy: 0.809692132645298
Energy: 0.8303313498143915
Energy: 0.8083595645298397
Energy: 0.79897745797026
Energy: 0.8719679165634152
Energy: 0.836581647800431
Energy: 0.8034929237905795
Energy: 0.8079677329877069
Energy: 0.8205051338597974
Energy: 0.8090415365248865
Energy: 0.79808875474843
Energy: 0.8155330007754144
Energy: 0.8138806168647362
Energy: 0.8452974481383715
Energy: 0.8180192686147479
Energy: 0.887432840858989
Energy: 0.8092669265680771
Energy: 0.8016948558953431
Energy: 0.8927019262964263
Energy: 0.8270549191245015
Energy: 0.8722374331052372
Energy: 0.8190642296823623
Energy: 0.8178106959164733
Energy: 0.7422283319333702
Energy: 0.8045680212552702
Energy: 0.8168206227180441
Energy: 0.8014453354080484
Energy: 0.8606993146558525
Energy: 0.7421927228773069
Energy: 0.8266600107891898
Energy: 0.8364819433520012
Energy: 0.8410300902379338
Energy: 0.8123980032538903
Energy: 0.846168331011061
Energy: 0.7448095303017205
Energy: 0.7466449006708835
Energy: 0.8274781196744138
Energy: 0.7424371769901356
Energy: 0.8036332711224073
Energy: 0.8442543784466107
Energy: 0.7979681526413225
Energy: 0.9086421219515933
Energy: 0.8228538308880433
Energy: 0.8072211416615058
Energy: 0.7424256660079207
Energy: 0.8033802825713765
Energy: 0.8358828277459531
Energy: 0.798032196744024
Energy: 0.8011420030540587
Energy: 0.8139510690321642
Energy: 0.8272799240108726
Energy: 0.8367497173429254
Energy: 0.8330055717843701
Energy: 0.8175062452354699
Energy: 0.8360833770568435
Energy: 0.8015288820748098
Energy: 0.8079266341854882
Energy: 0.8989017128535218
Energy: 0.8134489480212094
Energy: 0.8091894332860396
Energy: 0.8188103714363452
Energy: 0.7984464745446349
Energy: 0.8032526322579457
Energy: 0.8175507493311317
Energy: 0.878787587785848
Energy: 0.8271891042747253
Energy: 0.8022610165174743
Energy: 0.7974225300148755
Energy: 0.805197365058665
Energy: 0.8454125423343464
Energy: 0.8179037454468503
Energy: 0.8276376316909605
Energy: 0.7443264909980594
Energy: 0.801725986551743
Energy: 0.8613469827409098
Energy: 0.8182568791226682
Energy: 0.8370220887612936
Energy: 0.8189564012571858
Energy: 0.806588328477892
Energy: 0.8129778402474203
Energy: 0.8210468845842784
Energy: 0.8264718010194683
Energy: 0.8378338070829701
Energy: 0.7449587267406478
Energy: 0.7444682295685442
Energy: 0.8140401401940468
Energy: 0.7414871740823207
Energy: 0.8004130059928175
Energy: 0.8125360364467067
Energy: 0.8011794712271159
Energy: 0.7433760285920202
Energy: 0.7427837855765175
Energy: 0.8270571441124651

minimum gb energy = 0.7414871740823207 eV
minimum distance =  2.47112441812065 Angstroms
sigma value = 21


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

Energy: 0.9977950849619406
Energy: 0.9420721659359136
Energy: 0.8420554174655616
Energy: 0.8241111369654609
Energy: 0.8894144347894468
Energy: 0.7774868275515
Energy: 0.9089890621403671
Energy: 0.8008870015273556
Energy: 0.7483407150796028
Energy: 0.8066761910380983
Energy: 0.8114434647109586
Energy: 0.7478960481378925
Energy: 0.8952092941278567
Energy: 0.8094485667203004
Energy: 0.801920915448433
Energy: 0.7483715975895541
Energy: 0.8434335592956086
Energy: 0.7767261457876787
Energy: 0.9177791040418157
Energy: 0.8059834578031876
Energy: 0.9079845279077868
Energy: 0.8761011081512288
Energy: 0.74858257622556
Energy: 0.8442913602228491
Energy: 0.7730011092714786
Energy: 0.724889715371487
Energy: 0.799807470347138
Energy: 0.8213544267426584
Energy: 0.7711027379894296
Energy: 0.7513611039741681
Energy: 0.8112418899034587
Energy: 0.7681042592132737
Energy: 0.7477624233483613
Energy: 0.8085559664288585
Energy: 0.8268863556860158
Energy: 0.7531207181306631
Energy: 0.7527177947051833
Energy: 0.810127072603446
Energy: 0.7785870020155412
Energy: 0.7866172296353366
Energy: 0.8004141806896833
Energy: 0.8124711840287102
Energy: 0.7888078933475225
Energy: 0.788834461030249
Energy: 0.8013020092726358
Energy: 0.7787048306880181
Energy: 0.7485933132882222
Energy: 0.7489118682381908
Energy: 0.8208711868424191
Energy: 0.8012757470599777
Energy: 0.768412147304962
Energy: 0.8431197823755573
Energy: 0.8465043185349681
Energy: 0.8709317772619928
Energy: 0.7693361295253603
Energy: 0.832937657750156
Energy: 0.8008641663205169
Energy: 0.7576161865680172
Energy: 0.8123038650785559
Energy: 0.8086321119039906
Energy: 0.7484039049665275
Energy: 0.8878585455368353
Energy: 0.8208437268882043
Energy: 0.8915139902667883
Energy: 0.8949636000406843
Energy: 0.806473674160099
Energy: 0.8219140574235849
Energy: 0.7889188218355634
Energy: 0.7833653367227751
Energy: 0.8066045199731252
Energy: 0.7924873379167064
Energy: 0.8303101336711316
Energy: 0.8131230150586526
Energy: 0.8094725293753228
Energy: 0.7491510878837546
Energy: 0.7553440410259484
Energy: 0.8033453358472457
Energy: 0.800455442816591
Energy: 0.8434748496899906
Energy: 0.89531704669311
Energy: 0.7761703549397818
Energy: 0.8168716957681423
Energy: 0.790980506258954
Energy: 0.9182948915897796
Energy: 0.9596511242060454
Energy: 0.8557078861818556
Energy: 0.8425452476835938
Energy: 0.8332857360637835
Energy: 0.8509345098309649
Energy: 0.8003499609131601
Energy: 0.8058255239675024
Energy: 0.7541626751132895
Energy: 0.8682162647468494
Energy: 0.8039188263220987
Energy: 0.836928549441799
Energy: 0.7709801843795864
Energy: 0.8230382472730585
Energy: 0.8579741469755052
Energy: 0.8443881205290557
Energy: 0.7578576842138375
Energy: 0.806919949939931
Energy: 0.9110868684508353
Energy: 0.9089251255472838
Energy: 0.9088776334053501
Energy: 0.9088320020066843
Energy: 0.8759202220501343
Energy: 0.748353376101133
Energy: 0.8454881439328061
Energy: 0.8094675500004012
Energy: 0.7714836895960749
Energy: 0.8205531327416955
Energy: 0.8197490848546147
Energy: 0.7826579599167187
Energy: 0.7935568092409491
Energy: 0.8080239877733355
Energy: 0.7799868569956273
Energy: 0.7212618058543743
Energy: 0.7913266007673357
Energy: 0.8145976381791252
Energy: 0.7492441651905509
Energy: 0.751484099352294
Energy: 0.7441277787943051
Energy: 0.827479160177105
Energy: 0.7775706904757046
Energy: 0.8212510579982532
Energy: 0.8287794080879008
Energy: 0.7498281161135204
Energy: 0.7789254057624291
Energy: 0.7973965446872923
Energy: 0.778352743651863
Energy: 0.7486898367051603
Energy: 0.7522628716586459
Energy: 0.800227618286055
Energy: 0.7876225779488338
Energy: 0.749267479846203
Energy: 0.8241764327524655
Energy: 0.7802943600598578
Energy: 0.7522314154668311
Energy: 0.7689184803117506
Energy: 0.811398080663871
Energy: 0.8016633747988313
Energy: 0.7745990324555646
Energy: 0.8304812100798364
Energy: 0.9023437058660067
Energy: 0.9430765593074361
Energy: 0.8019838027369133
Energy: 0.9527661306196821
Energy: 0.8059040650660602
Energy: 0.9064997650880156
Energy: 0.806514739959487
Energy: 0.8205540411252146
Energy: 0.7213049678162468
Energy: 0.7908510473687044
Energy: 0.7830929233497734
Energy: 0.7722798721055985
Energy: 0.9137234802612236
Energy: 0.8447375378080537
Energy: 0.9723693459106173
Energy: 0.7971169768312898
Energy: 0.8203520772703393
Energy: 0.8063074948588993
Energy: 0.8481639873514122
Energy: 0.7740118798200709
Energy: 0.8453769806229637
Energy: 0.7768603860817169
Energy: 0.9642684101376963
Energy: 0.9605659188931417
Energy: 0.9097469754004305
Energy: 0.7540420014099234
Energy: 0.8381420602114462
Energy: 0.8030782137789912
Energy: 0.813241147240566
Energy: 0.7965250386107212
Energy: 0.8111144583536716
Energy: 0.8170720700934759

minimum gb energy = 0.7212618058543743 eV
minimum distance =  2.50133517687916 Angstroms
sigma value = 113


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

Energy: 0.8228275403966018
Energy: 0.99320254610739
Energy: 0.8755463849341947
Energy: 0.900437550515458
Energy: 1.0404264670215628
Energy: 0.9735098144173365
Energy: 0.9673927567771131
Energy: 0.8105037353650757
Energy: 1.0504767705600326
Energy: 0.8945917705774932
Energy: 0.966838299397678
Energy: 1.0246426172245817
Energy: 0.7878266105558853
Energy: 0.827240032388852
Energy: 0.9823945053571308
Energy: 0.9097972404332646
Energy: 0.9061415852639472
Energy: 0.9817918786004444
Energy: 0.9826287796041628
Energy: 0.8126281008483401
Energy: 0.9430167448912877
Energy: 0.9462338925591863
Energy: 1.0457965031946872
Energy: 0.8963175073055524
Energy: 0.943592456344174
Energy: 0.9982810242861441
Energy: 0.9686036950971733
Energy: 0.9734025930325679
Energy: 0.8374366463648978
Energy: 1.0082577606307372
Energy: 0.8821072582708476
Energy: 0.9719374543884753
Energy: 0.9276525767920628
Energy: 0.8397780371921719
Energy: 0.9954745478793144
Energy: 0.865959401824178
Energy: 0.8371190936641489
Energy: 0.8795737970513124
Energy: 0.8587856604701708
Energy: 0.8845045257860352
Energy: 0.8133459099894192
Energy: 0.8294572203490654
Energy: 0.8798986916991862
Energy: 0.8984932822858536
Energy: 0.871745995444937
Energy: 0.868378875147962
Energy: 0.9329840256980058
Energy: 0.9278473063236938
Energy: 1.0508729797606624
Energy: 0.8698526244898452
Energy: 0.8724570603424789
Energy: 0.8439727697703925
Energy: 1.0274583155045398
Energy: 0.8506262889864782
Energy: 0.9276954868775608
Energy: 0.9118187133158937
Energy: 0.7925536087692774
Energy: 0.8821075149342221
Energy: 0.854245408491833
Energy: 0.8123885596272414
Energy: 0.8122198365456932
Energy: 0.8685296436853932
Energy: 0.8837640217665437
Energy: 0.9290649125181576
Energy: 0.8527959156329031
Energy: 0.8506512840966122
Energy: 0.8359935927688421
Energy: 0.8331854028459613
Energy: 0.8231701282829444
Energy: 0.9245175727025395
Energy: 0.7644533326484924
Energy: 0.8438462429765828
Energy: 0.7880482061091987
Energy: 0.8684437920777369
Energy: 0.8451247881267367
Energy: 0.9066817499654765
Energy: 0.9362252836594775
Energy: 0.8019983944450567
Energy: 0.8072890295834014
Energy: 0.873660255544663
Energy: 0.923866168182393
Energy: 0.8678156102830702
Energy: 0.9462878504112665
Energy: 0.8584527644080344
Energy: 0.8348224364651828
Energy: 0.8547011860322765
Energy: 0.8074172932192988
Energy: 0.9739541091206093
Energy: 0.8333143241157944
Energy: 0.8471144941608717
Energy: 0.90138189302538
Energy: 0.8967945197616887
Energy: 0.9074791868706712
Energy: 0.8984849241951842
Energy: 0.8690301671879909
Energy: 0.8622502608718545
Energy: 0.8883262832717055
Energy: 0.8824028631211746
Energy: 0.8241550503569421
Energy: 0.8477599086742479
Energy: 0.8589221533509407
Energy: 0.8643338333104245
Energy: 0.8139919769856141
Energy: 0.8592554808042889
Energy: 0.89303774298381
Energy: 0.7750843133013859
Energy: 0.93674292428808
Energy: 0.9287485523803589
Energy: 0.9887917323852721
Energy: 0.831175616423477
Energy: 0.9663085134616612
Energy: 0.9749154518662336
Energy: 0.8963734817307413
Energy: 0.9581239307032956
Energy: 0.8736267032872543
Energy: 0.9281765513365992
Energy: 0.971730480139461
Energy: 0.9691758540818527
Energy: 0.984502293869256
Energy: 0.8815558125298049
Energy: 0.969188287872283
Energy: 0.9373387498226549
Energy: 0.8823307248917915
Energy: 0.9396013929996624
Energy: 0.8022415279739185
Energy: 0.9658891778784154
Energy: 0.9340513863311019
Energy: 1.0353371073546183
Energy: 0.8989229550658407
Energy: 0.9492860150279023
Energy: 0.9270241485809048
Energy: 0.9365492062026742
Energy: 0.9298673164031935
Energy: 0.9107100574663425
Energy: 0.9110046382196519
Energy: 0.9981290060060822
Energy: 0.9157380059486251
Energy: 1.007667249815742
Energy: 0.9691417173203274
Energy: 0.9929886316654785
Energy: 0.9362067806031312
Energy: 0.9092440794947265
Energy: 0.8599247918175907
Energy: 0.9956012658233148
Energy: 0.9240099066629471
Energy: 0.7693575765214157
Energy: 0.8926495664586889
Energy: 0.8436922740155075
Energy: 1.0402385310197584
Energy: 0.9783181869650507
Energy: 0.9903524255811124
Energy: 0.8846833835261928
Energy: 0.7695036116816529
Energy: 1.068567351861629
Energy: 0.7777282688461689
Energy: 0.9793154939571016
Energy: 0.9931269377951163
Energy: 0.9019977192509281
Energy: 0.9053012010897397
Energy: 0.9713002247177097
Energy: 0.9664244487026538
Energy: 0.8539919173485714
Energy: 0.978043870007275
Energy: 0.8335499461346487
Energy: 0.8933783431021332
Energy: 0.9020789982226819
Energy: 0.9133555236937195
Energy: 0.7653026061581228
Energy: 0.884702710580742
Energy: 0.9642517397496688
Energy: 0.9072679954995323
Energy: 0.8938483942385776
Energy: 0.9383891014584385
Energy: 0.8120804066832885
Energy: 0.9264431095396506
Energy: 0.9518465205651738
Energy: 0.934563576009934
Energy: 0.8753920116789452
Energy: 0.9448174805026938
Energy: 0.9423479660965741
Energy: 0.9688408128649502
Energy: 0.9741200469528537
Energy: 0.779668669175201
Energy: 1.026046768209255
Energy: 0.8972805222692094
Energy: 0.940671714486768
Energy: 0.8261193289185419
Energy: 0.8385535024932667
Energy: 0.984435273857344
Energy: 0.8651199896924794
Energy: 0.8376106675322899
Energy: 0.879904435880878
Energy: 0.8432658412021746
Energy: 0.8810537463576972
Energy: 0.81380480648062
Energy: 0.865456235908384
Energy: 0.8470516235280319
Energy: 0.9012586787941184
Energy: 0.9260197243624991
Energy: 0.8884247462977148
Energy: 0.9311266201474925
Energy: 0.8809402068408254
Energy: 0.9336021361924184
Energy: 0.9136135094804045
Energy: 0.8713803512043514
Energy: 0.8016807094295504
Energy: 1.02759319118872
Energy: 0.9047594633614386
Energy: 0.8815201246675873
Energy: 0.9134600775530104
Energy: 0.7939984197919977
Energy: 0.8553929349869128
Energy: 0.8505633671146943
Energy: 0.8124762116166563
Energy: 0.8141743109045138
Energy: 0.8243908068321047
Energy: 0.8829135953153706
Energy: 0.8609727440054634
Energy: 0.9640915527240089
Energy: 0.8558505906474775
Energy: 0.841178204847434
Energy: 0.8335641437850949
Energy: 0.9236137730052536
Energy: 0.9030338603094296
Energy: 0.9432385447463392
Energy: 0.8439861628526729
Energy: 0.8384785198285216
Energy: 0.8184207376582091
Energy: 0.8458760718818441
Energy: 0.8120284260381455
Energy: 0.946427670802755
Energy: 0.8107158568353144
Energy: 0.8119747237853547
Energy: 0.8443571697440926
Energy: 0.804025406489296
Energy: 0.9226167739806405
Energy: 0.9466859650487808
Energy: 0.8561250578806481
Energy: 0.8685830070211051
Energy: 0.8533833434170927
Energy: 0.8060899529157548
Energy: 0.991116764655554
Energy: 0.9535847466108979
Energy: 0.8966681716592259
Energy: 0.899367045419808
Energy: 0.8963704308339796
Energy: 0.8821082680604048
Energy: 0.8387274364944882
Energy: 0.8643641418786097
Energy: 0.8712592497942834
Energy: 0.8917292219630739
Energy: 0.8791929044507515
Energy: 0.8236423904101873
Energy: 0.8492230597472039
Energy: 0.8561668355004625
Energy: 0.82510066124101
Energy: 0.8165109999023126
Energy: 0.8582542387343348
Energy: 0.8818819258419052
Energy: 0.777141129181804
Energy: 0.9432626345137389
Energy: 0.8403257956091844
Energy: 0.9217537604176498
Energy: 0.7811049009340432
Energy: 0.802672654901803
Energy: 0.9740702508799807
Energy: 0.8944314448923472
Energy: 0.9441818712177211
Energy: 0.9220974509612966
Energy: 0.928315557303193
Energy: 0.9243774923103271
Energy: 0.9201108373655277
Energy: 0.9375491710062271
Energy: 0.8833732139530969
Energy: 0.9675101327665457
Energy: 0.9377840737945649
Energy: 0.8994748044453909
Energy: 0.8887269681449627
Energy: 0.8101027153570857
Energy: 0.982168203398307
Energy: 0.927075357579917
Energy: 1.034805892821725
Energy: 0.8945122859876967
Energy: 0.949441510557965
Energy: 0.9516601330943536
Energy: 0.8442964026223614
Energy: 1.002695762409649
Energy: 0.8305682470197526
Energy: 0.9510379120500121
Energy: 0.9993443612458041
Energy: 0.9157563868162705
Energy: 1.005298624157486
Energy: 0.9694527052441582
Energy: 0.9215330650206974
Energy: 0.9352237090034874
Energy: 0.9091130012980854
Energy: 0.8579926336543149
Energy: 0.9638079997680283
Energy: 0.9251126871167127
Energy: 0.7778643258224704
Energy: 0.8634560364685503
Energy: 0.8372672009743827
Energy: 1.0314277321312169
Energy: 0.9774782188640292
Energy: 1.0086448710565195
Energy: 0.9239128197672242
Energy: 0.8382011057646187
Energy: 1.0673059013959427
Energy: 0.7777824967134118
Energy: 0.898941297937612
Energy: 0.9936824916519599
Energy: 0.8712625992243662
Energy: 0.9038552205132102
Energy: 0.9721032943987898
Energy: 0.98871917215901

minimum gb energy = 0.7644533326484924 eV
minimum distance =  2.42456959312087 Angstroms
sigma value = 365


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

Energy: 0.8911083555795355
Energy: 1.049563559920109
Energy: 0.8584556406277901
Energy: 0.8631732885002347
Energy: 0.8652161117389686
Energy: 0.8583491700982141
Energy: 0.8590591107603553
Energy: 0.8724490142986552
Energy: 1.018344310687881
Energy: 0.828527973394254
Energy: 0.8271605287678434
Energy: 0.8282733113647927
Energy: 0.8289952797377004
Energy: 1.019645515049612
Energy: 0.8707715757537674
Energy: 1.049308017736762
Energy: 0.8653387371919048
Energy: 0.8588193707795913
Energy: 0.8588781009322137
Energy: 0.8277396175081084
Energy: 0.8583620519784086
Energy: 0.8711403062189752
Energy: 1.050249135867607
Energy: 0.8283227053379562
Energy: 0.8589559910764275
Energy: 0.858754150142318
Energy: 0.82776518336144
Energy: 0.8621941857438666
Energy: 0.8964543006705735
Energy: 1.0201617033186772
Energy: 0.8719343651490932
Energy: 0.9951234835272534
Energy: 0.8278840295212933
Energy: 0.8708627167754381
Energy: 0.9901866201321656
Energy: 0.8728184609890104
Energy: 1.0500575828972232
Energy: 0.858612311968485
Energy: 0.863849887248183
Energy: 0.8588422287191451
Energy: 0.8585087529431855
Energy: 0.8594279552267144
Energy: 0.872062819989722
Energy: 1.021501527419865
Energy: 0.8293218078913182
Energy: 0.8271171946331101
Energy: 0.8270136625198086
Energy: 0.8300002371226785
Energy: 1.0209144745260397
Energy: 0.8712687601577574
Energy: 1.0210658124089638
Energy: 0.866441519882801
Energy: 0.8727502338696858
Energy: 0.8269376226353171
Energy: 0.8647991351109466
Energy: 1.0217894504559883
Energy: 0.8730345788303787
Energy: 1.0505914804503913
Energy: 0.8274910432644643
Energy: 0.8588568071981003
Energy: 0.859659740933256
Energy: 0.8587659525749332
Energy: 0.8604825378894372
Energy: 0.8961812003966377
Energy: 0.9912916523499832
Energy: 0.8723518119565146
Energy: 1.0870235540713338
Energy: 1.085850257129416
Energy: 0.8720261641156738
Energy: 0.9907897542058389
Energy: 0.8720016762098738
Energy: 1.0504753653240257
Energy: 0.8275454746254839
Energy: 0.8589878757244548
Energy: 0.8592797063722107
Energy: 0.8276400647414858
Energy: 0.8610252258541374
Energy: 0.870892619041665
Energy: 1.0486679680824496
Energy: 0.8660549170919453
Energy: 0.8588828933413115
Energy: 0.8270755106818206
Energy: 0.8281938706924987
Energy: 1.021639561647966
Energy: 0.8723551707230445
Energy: 1.0213238990553144
Energy: 0.8287451913991535
Energy: 0.8268491092756175
Energy: 0.8282161573356095
Energy: 0.8286785158710845
Energy: 1.020887483710638
Energy: 0.8723939970980593
Energy: 1.0496621063362308
Energy: 0.8584200592116566
Energy: 0.863260317240339
Energy: 0.8655284979936883
Energy: 0.8584280202873242
Energy: 0.8592754064840253
Energy: 0.8966340210847662
Energy: 1.0208318001867032
Energy: 0.8442234092978917
Energy: 0.8289835738617949
Energy: 0.8289725253038653
Energy: 0.8277974635392065
Energy: 1.0206506177492103
Energy: 0.8709075028720152
Energy: 1.0492185387666095
Energy: 0.8654061786204781
Energy: 0.8592324596682106
Energy: 0.8587620123760908
Energy: 0.8275299467483855
Energy: 0.859286346663109
Energy: 0.8708444409596828
Energy: 1.0500642731037797
Energy: 0.865449354153649
Energy: 0.8589872784845887
Energy: 0.8588760972782413
Energy: 0.8275525971247552
Energy: 0.8586902925552595
Energy: 0.8965571724819476
Energy: 1.0197911203999221
Energy: 0.8282958321015859
Energy: 0.8271162729919193
Energy: 0.8288191490023082
Energy: 0.8281736180533302
Energy: 1.0196968192975502
Energy: 0.8727243728387661
Energy: 1.0497509519290709
Energy: 0.8587063355514583
Energy: 0.8632991708716596
Energy: 0.865324036823234
Energy: 0.858474638109453
Energy: 0.8590096882634547
Energy: 0.8721706052315844
Energy: 1.021288732215667
Energy: 0.8285576548461415
Energy: 0.827997469604864
Energy: 0.8283920045976645
Energy: 0.8282717928261795
Energy: 1.0207466960841656

minimum gb energy = 0.8268491092756175 eV
minimum distance =  2.50906131879453 Angstroms
sigma value = 23