Model name: model_name=MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6110985279083248
cohesive_energy=4.24243287157552
mass=55.845
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=[2.27478640671954e-19, 3.00839104389546e-19, 3.5595558277577994e-19, 4.0233378980017797e-19, 4.40391893564214e-19, 4.7321889061823995e-19, 5.01901056720108e-19, 5.2715776917848395e-19, 5.495065310461499e-19, 5.6932545600873e-19, 5.86907742390246e-19, 6.024889101558959e-19, 6.162548117952239e-19, 6.283608584417279e-19, 6.38938428579396e-19, 6.48099674572608e-19, 6.55937522666136e-19, 6.62535286044948e-19, 6.679682670108419e-19, 6.7229734827591e-19, 6.75583412552244e-19, 6.778745251388639e-19, 6.792203535114239e-19, 6.796593499091399e-19, 6.79183503448842e-19, 6.77642209526934e-19, 6.748335938875319e-19, 6.7051893221217e-19, 6.64411434883362e-19, 6.561618273948959e-19, 6.45350339468664e-19, 6.3146427458178595e-19, 6.1386917078719795e-19, 5.91789574594044e-19, 5.6425456696212e-19, 5.300545045327559e-19, 4.8765450209058e-19, 4.35106312848648e-19, 3.6989451949157997e-19, 2.88750681686016e-19, 1.87369750816398e-19, 5.99994321136758e-20, -1.011524604816096e-19, -3.06834449353974e-19, -5.72154899944374e-19, -9.18846697422366e-19, -1.378943761408146e-18, -2.00115065939868e-18, -2.86219242604296e-18, -4.08814594284708e-18, -5.897387885025239e-18, -8.6938910690742e-18, -1.3291320898570858e-17, -2.1528447431057998e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.020083763157344506
Energy: 0.5307705214584733
Energy: 0.8890764160288154
Energy: 0.77590431137838
Energy: 0.7707353086998278
Energy: 0.29175284649889116
Energy: 0.02108174785797392
Energy: 0.0737444913676641
Energy: 0.4807330147972181
Energy: 0.12830184020667065
Energy: 0.08865284529982584
Energy: 0.48007737446296106
Energy: 0.021616522325366316
Energy: 0.07536751625117587
Energy: 0.020645677999305456
Energy: 0.47568598790966765
Energy: 0.5882999506459958
Energy: 0.4476367925357561
Energy: 0.4754535963654376
Energy: 0.07362508928314439
Energy: 0.07512782437915082
Energy: 0.02249421156040082
Energy: 0.49977839328872464
Energy: 0.22410906457113208
Energy: 0.5040623644256239
Energy: 0.5056721756712661
Energy: 0.07426866288907656
Energy: 0.02121938495649229
Energy: 0.07458348790746963
Energy: 0.5081665497464836
Energy: 0.15227281395736697
Energy: 0.08770108495731818
Energy: 0.47277052977933387
Energy: 0.021135218180494617
Energy: 0.07550352403947443
Energy: 0.020509204232691005
Energy: 0.47204440803862746
Energy: 0.30043391777991363
Energy: 0.4737712725844313
Energy: 0.47533184394917954
Energy: 0.07353286992079897
Energy: 0.07551165348091733

minimum gb energy = 0.020083763157344506 eV
minimum distance =  2.5275190148111 Angstroms
sigma value = 5


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

Energy: 1.018233909738537
Energy: 1.152567744893678
Energy: 0.9149120114937084
Energy: 1.0475086228634296
Energy: 0.9741470077914829
Energy: 0.9122617312800293
Energy: 1.0192501173037993
Energy: 0.8743361441920858
Energy: 0.9318584790587325
Energy: 0.8858593099358859
Energy: 0.9138570359572606
Energy: 0.8223845289902866
Energy: 0.8553138003584225
Energy: 0.8777574266998786
Energy: 0.9424046693488696
Energy: 0.868669391928139
Energy: 0.7992358884097145
Energy: 0.8982811563819698
Energy: 0.8530223417400766
Energy: 0.7986890933264653
Energy: 0.9675193461709648
Energy: 0.9125148161557045
Energy: 0.7996120821576159
Energy: 0.8692951758475562
Energy: 0.9686107945483758
Energy: 0.9145557827552573
Energy: 0.9767100086629557
Energy: 0.9125074761150007
Energy: 0.9034684171162554
Energy: 0.8314979116644658
Energy: 1.0210441567311688
Energy: 0.94818698274901
Energy: 0.9175591984095702
Energy: 1.0501045011440282
Energy: 0.9788980526062886
Energy: 0.9988168886604765
Energy: 0.877037426369293
Energy: 1.0559844601172141
Energy: 0.880640578413165
Energy: 0.841369722912823
Energy: 0.9968292088598899
Energy: 0.9104512043583517
Energy: 1.0236879707999564
Energy: 0.8870125196717369
Energy: 0.9825074186442112
Energy: 0.9710779079672102
Energy: 0.9266098022058542
Energy: 0.8968567565345965
Energy: 0.8351334508290795
Energy: 1.0210208439138986
Energy: 0.9527663617114203
Energy: 0.8376740343848601
Energy: 0.9358658046237001
Energy: 0.9112223460938329
Energy: 0.8929928010700282
Energy: 0.9399941961395313
Energy: 0.9232405854276784
Energy: 0.9014940442508617
Energy: 0.8582187240616203
Energy: 0.7990767025954062
Energy: 0.8213667252065967
Energy: 0.8914621944476511
Energy: 0.8281285512075267
Energy: 0.8948887243199786
Energy: 0.9885961940580871
Energy: 0.9149737796664033
Energy: 0.9493020891898362
Energy: 1.0231694553381856
Energy: 0.8579072349914934
Energy: 0.9926854414896806
Energy: 0.9778333911615753
Energy: 0.9616491797041236
Energy: 0.9547944382858566
Energy: 0.9581832061215411
Energy: 0.869572431483643
Energy: 0.9466275204169273
Energy: 0.9559085147626739
Energy: 0.9417788005994358
Energy: 0.8335428305926809
Energy: 0.8501375509443898
Energy: 0.8675970131088729
Energy: 0.9400791199552043
Energy: 0.8628748638880972
Energy: 0.8425001344112044
Energy: 0.9401164237009338
Energy: 0.9066023050804967
Energy: 0.8560628442606167
Energy: 0.870333968634374
Energy: 0.8322316953156286
Energy: 0.8737786995018246
Energy: 0.8268875763879722
Energy: 0.9433997158684001
Energy: 0.940623350528357
Energy: 1.024073861115575
Energy: 0.8874540571370736
Energy: 0.8621034418940885
Energy: 1.0902049873276858
Energy: 0.9391237631717201
Energy: 0.9337878140237469
Energy: 0.8762997280277152
Energy: 0.9618558174235167
Energy: 0.8998186349169289
Energy: 0.9225282710106146
Energy: 0.9223456381433306
Energy: 0.857456995095053
Energy: 1.0339359951744613
Energy: 0.882807562318898
Energy: 0.8649531105821232
Energy: 0.8158208657280941
Energy: 0.75985222717404
Energy: 0.8780359456654662
Energy: 0.860836423207678
Energy: 0.990013710709263
Energy: 0.9395608920565072
Energy: 0.900344218850634
Energy: 0.9166934595434577
Energy: 0.8919689923892697
Energy: 1.0740896035464358
Energy: 1.014311852784946
Energy: 1.0433602070804808
Energy: 0.8680942661953631
Energy: 0.9379233646890789
Energy: 0.8387651637839793
Energy: 0.9111904972193635
Energy: 0.9087422612745899
Energy: 0.8433500672701431
Energy: 0.9421680197322012
Energy: 0.8331864944898094
Energy: 0.8839077625744003
Energy: 0.8998487704299184
Energy: 0.8541313931106886
Energy: 0.8437941395783978
Energy: 0.9177232964598183
Energy: 0.9442251167696712
Energy: 0.8522323185504066
Energy: 0.8843562252186984
Energy: 0.8988749705273416
Energy: 0.8727520786288766
Energy: 1.03261213229388
Energy: 0.9913774103937797
Energy: 0.9371553118976461
Energy: 0.885206126573579
Energy: 0.8988002109770744
Energy: 0.924511313231357
Energy: 0.9487870286001223
Energy: 0.8652870793005066
Energy: 0.9041653219657574
Energy: 0.897447417912974
Energy: 0.8172648551429021
Energy: 0.7739799992154909
Energy: 0.8367533930970239
Energy: 0.756718710947458
Energy: 0.8652723400759098
Energy: 0.8207331023144258
Energy: 0.9220957039420071
Energy: 0.9553907041187678
Energy: 0.8497910936502588
Energy: 0.9620896239735641
Energy: 0.9002703806376374
Energy: 0.8709513845036676
Energy: 0.8943702038578141
Energy: 0.8700216094508183
Energy: 0.9768079110365575
Energy: 0.9367632904906581
Energy: 0.9653850076846024
Energy: 0.8833784153811333
Energy: 0.8484794934394198
Energy: 1.0072054638101178
Energy: 0.9063389997716387
Energy: 0.8878702582727895
Energy: 0.8935480692098299
Energy: 0.8773002124102898
Energy: 0.8100573228054938
Energy: 0.9348847377355256
Energy: 0.9099763793114892
Energy: 0.9464351323367756
Energy: 0.8393805790398262
Energy: 0.7984932587925342
Energy: 0.8609320501707303
Energy: 0.9578025937737433
Energy: 0.799769274600156
Energy: 0.9623036936693096
Energy: 0.8957361372729746
Energy: 0.9104308469984888
Energy: 0.8685748397203485
Energy: 0.9913585877026745
Energy: 0.954788406272385
Energy: 0.9715493740193917
Energy: 0.8748902867418067
Energy: 0.8643980828701957
Energy: 0.8806310332271997
Energy: 1.0034309278621194
Energy: 0.9036920111750399
Energy: 0.8080398466865271
Energy: 0.8528424740661077
Energy: 0.8702701732448043
Energy: 0.9554013593496136
Energy: 0.8792375019730849
Energy: 1.0058318307837042
Energy: 0.8834473814845678
Energy: 0.8074014563664611
Energy: 1.0559627518907244
Energy: 0.8758359890446714
Energy: 0.9317020373542011
Energy: 0.888406846200855
Energy: 0.9284982867985127
Energy: 0.917122418145953
Energy: 0.9325310506741243
Energy: 0.8755213489247131
Energy: 0.7909340204667594
Energy: 0.9101928446875663
Energy: 0.9133472367804912
Energy: 0.8379414376500484
Energy: 0.8839184170163321
Energy: 0.941716874302575
Energy: 0.8448413879340168
Energy: 0.9567695704336072
Energy: 0.836607299951659
Energy: 0.9006087497235609
Energy: 0.8514840571155554
Energy: 0.8358688411652813
Energy: 0.8100580642244526
Energy: 0.9059296459493253
Energy: 0.8824105075958718
Energy: 0.951350491751833
Energy: 1.041303390080999
Energy: 0.9049232796204899
Energy: 1.0499290234828451
Energy: 1.0309120763824702
Energy: 0.8849940213897298
Energy: 1.0304053169999905
Energy: 0.9356573023018034
Energy: 0.9025667265048355
Energy: 0.9437177736603488
Energy: 0.8898622942916623
Energy: 0.959707209988554
Energy: 0.8916618835883536
Energy: 0.9464603455639918
Energy: 0.8999796500440665
Energy: 0.8548589674250405
Energy: 0.981027833921394
Energy: 0.8440496789174972
Energy: 0.9007178249473711
Energy: 0.8414419842703675
Energy: 0.846143026994006
Energy: 0.8913681731203349
Energy: 0.8625161217546546
Energy: 0.9031383494107872
Energy: 0.8378855301991806
Energy: 0.8227303046687049
Energy: 0.8468988586392125
Energy: 0.8578935705069428
Energy: 0.9755263544810866
Energy: 0.8951030645353576
Energy: 1.0278517300218082
Energy: 0.8927813092848259
Energy: 0.9963057028309635
Energy: 1.0528724004840495
Energy: 0.9195360159397477
Energy: 0.9420188227871836
Energy: 0.8535343988870182
Energy: 0.9528421334024825
Energy: 0.878021418462434
Energy: 0.902449043588932
Energy: 0.7800430587612851
Energy: 0.7893318372968853
Energy: 0.9747537002864898
Energy: 0.8810839348486715
Energy: 0.9062441865518123
Energy: 0.8239402102715292
Energy: 0.976487519696199
Energy: 0.944236152470515
Energy: 0.9583996381904003
Energy: 0.8843418319280034
Energy: 0.8906993107246498
Energy: 0.9920528572004472
Energy: 0.9186234262759679
Energy: 0.9766899162446503
Energy: 1.074575384798477
Energy: 0.9768316325309415
Energy: 0.8699002139064643
Energy: 0.8081818079141387
Energy: 0.8378644326642846
Energy: 0.8745918223566369
Energy: 0.8428453000016279
Energy: 0.9486089116700057
Energy: 0.8524545471501919
Energy: 0.921503660447315
Energy: 0.8117139626791423
Energy: 0.9234814016190828
Energy: 0.8604606792666462
Energy: 0.8700565649485332
Energy: 0.8256321095632103
Energy: 0.8759656246371176
Energy: 1.0261740365541279
Energy: 0.9448986330075294
Energy: 0.9622034497010999
Energy: 0.9326675787924071
Energy: 0.8892169083709578
Energy: 1.0752010502557308
Energy: 0.8027846960900474
Energy: 0.8575368437264573
Energy: 0.8436332302377414
Energy: 0.8691814181194449
Energy: 0.8994170328046774
Energy: 0.858886036232702
Energy: 0.8642919959776235
Energy: 0.8765863468784402
Energy: 0.902538042033103
Energy: 0.8180686664391349
Energy: 0.8713164758289459
Energy: 0.8373269751775104
Energy: 0.7931072510488164
Energy: 0.8987196461249749
Energy: 0.8450499471099983
Energy: 0.8747034037825832
Energy: 0.885488894630682
Energy: 0.8286256654239782
Energy: 0.9870928771183438
Energy: 0.8672009130595396
Energy: 0.9050140504741921
Energy: 0.9449498010738719
Energy: 0.877029795813177
Energy: 0.8713457895050818
Energy: 0.8887260573441849
Energy: 0.9359266551648747
Energy: 0.964159085774884
Energy: 0.8542211233359147
Energy: 0.9662290060189924

minimum gb energy = 0.756718710947458 eV
minimum distance =  2.23781149202062 Angstroms
sigma value = 401


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

Energy: 1.1690028045507923
Energy: 1.1653386506274284
Energy: 0.919988737662429
Energy: 0.9429113208732778
Energy: 0.9429329344323606
Energy: 0.9278522940123334
Energy: 0.9657643494802693
Energy: 0.9749885275074871
Energy: 0.78048767888772
Energy: 0.8096910393495607
Energy: 0.9150566379899328
Energy: 0.8147238933846165
Energy: 0.8813699421899175
Energy: 0.9573595955428674
Energy: 0.9803144426795024
Energy: 0.8766575065536172
Energy: 0.8030041279780834
Energy: 0.909005277282343
Energy: 0.9032220483371347
Energy: 0.8434091057451129
Energy: 0.8434457466981709
Energy: 0.9282157753049463
Energy: 0.9300901946621268
Energy: 0.9447620760563852
Energy: 0.8725218831927211
Energy: 0.8708385174963704
Energy: 0.9485811365351925
Energy: 0.9300889608189107
Energy: 0.9214621808479473
Energy: 0.8249073669203209
Energy: 0.8848598782931552
Energy: 0.8258890063320945
Energy: 0.8330611372259401
Energy: 0.8454300467875187
Energy: 0.9506408961704416
Energy: 0.9041623741309894
Energy: 0.7451889107460091
Energy: 0.8981385360668526
Energy: 0.8070596635393654
Energy: 0.9011282524150617
Energy: 0.9019685259574298
Energy: 0.9732976560683105
Energy: 1.0169396285152852
Energy: 0.9614182851368774
Energy: 0.9490566577579705
Energy: 0.8751538904372163
Energy: 0.930242439701443
Energy: 0.9239614386371153
Energy: 0.8860689646154126
Energy: 0.8987055192598102
Energy: 0.9460479887077233
Energy: 0.9259594722074529
Energy: 0.8370401843912724
Energy: 0.9296280271621589
Energy: 0.9477187504959883
Energy: 0.894643427692492
Energy: 0.9807834314629714
Energy: 0.8609321621178802
Energy: 0.796308503967794
Energy: 0.881031028001661
Energy: 0.872055616916713
Energy: 0.904929504499135
Energy: 0.9276790253439963
Energy: 0.9855418416010603
Energy: 0.8648870936448833
Energy: 0.8296549280772412
Energy: 0.903061929525295
Energy: 0.8043848287393744
Energy: 0.8813228503140733
Energy: 0.9595874468914667
Energy: 0.851185288941695
Energy: 0.8721475612616679
Energy: 0.9419928292978866
Energy: 0.9443341844682334
Energy: 0.8489729498711431
Energy: 0.804695459255686
Energy: 0.9565394972963052
Energy: 0.9181361797279195
Energy: 0.7962478693956402
Energy: 0.7951724591058754
Energy: 0.8976420962026507
Energy: 0.8336829684597984
Energy: 0.8707367873375091
Energy: 0.8735385205038053
Energy: 0.8825496505225522
Energy: 0.8097891846427867
Energy: 0.9244608863680182
Energy: 0.97949316039152
Energy: 0.8932502682682105
Energy: 0.9106367529661313
Energy: 0.972494232815104
Energy: 0.9705315204416896
Energy: 0.8684826007118979
Energy: 0.9377573695898483
Energy: 0.94628610775001
Energy: 0.8429142246356632
Energy: 0.955645576918061
Energy: 0.9334309217757122
Energy: 0.9608849946885148
Energy: 0.8968926553089845
Energy: 0.9833977696582854
Energy: 0.8115920390343154
Energy: 0.80747380315337
Energy: 0.9027296202136903
Energy: 0.9054161906649991
Energy: 0.9517363273271597
Energy: 0.9041750437805735
Energy: 0.9187906788020266
Energy: 0.8018574928757255
Energy: 0.859526499142198
Energy: 0.9129093613005596
Energy: 0.9098162814363793
Energy: 0.9443526672596102
Energy: 0.959313375578624
Energy: 0.9591819953140445
Energy: 0.8597102505663534
Energy: 0.8899353737065318
Energy: 0.9064072571393186
Energy: 0.8711227091478482
Energy: 0.8548213819151487
Energy: 0.7762076970963264
Energy: 0.9750465251996523
Energy: 0.8552406082196191
Energy: 0.9151835258561498
Energy: 0.9300890452360827
Energy: 0.8713253856885431
Energy: 0.888435405162625
Energy: 0.8276198406270703
Energy: 0.8186242501440363
Energy: 0.8328692013252003
Energy: 0.8049432525700854
Energy: 0.868105919450366
Energy: 0.9618426628176914
Energy: 0.9648369467151812
Energy: 0.8638099633818491
Energy: 0.9330442077898182
Energy: 0.8667305461088031
Energy: 0.9784888251532277
Energy: 0.8787783198905611
Energy: 0.9488948772565663
Energy: 0.939225239226998
Energy: 0.8676587207058214
Energy: 0.8382043426750737
Energy: 0.9137794364992472
Energy: 0.7700312599714967
Energy: 0.8307913323407461
Energy: 0.9361538223620172
Energy: 0.9317527779114982
Energy: 0.9572659955887614
Energy: 0.8630487310668855
Energy: 0.9459441751742136
Energy: 0.9086337514299079
Energy: 0.8484731846053305
Energy: 0.9929640770420625
Energy: 0.8786795828171858
Energy: 0.9294727311162804
Energy: 0.9526427934392944
Energy: 0.8740543910765162
Energy: 0.8935041321149549
Energy: 0.8938524721441325
Energy: 0.9500214621273033
Energy: 0.9505023378264859
Energy: 0.8837026878464989
Energy: 0.9468566958260392
Energy: 0.8817253371688943
Energy: 0.8954619064276774
Energy: 0.9042397067894428
Energy: 0.9076657468623299
Energy: 0.9385231355517003
Energy: 0.7659073914332639
Energy: 0.9468777598735012
Energy: 0.8494885114048973
Energy: 0.8582023979264043
Energy: 0.8364757464625293
Energy: 0.8662325696504741
Energy: 0.9572726854876406
Energy: 0.8058121393799255
Energy: 0.8190307165736245
Energy: 0.8187475662217585
Energy: 0.8890245347834065
Energy: 0.9588870826314265
Energy: 0.8931082931487909
Energy: 0.9595267427190368
Energy: 0.9526221880722141
Energy: 0.872059635365651
Energy: 0.8464122749902256
Energy: 0.8789313005927983
Energy: 0.9242117874565625
Energy: 0.9068074311806086
Energy: 0.9370372512086738
Energy: 0.8775941119429951
Energy: 0.8401607698742285
Energy: 0.8556212345066528
Energy: 0.9013609202220731
Energy: 0.9054879384898278
Energy: 0.7841368657937708
Energy: 0.9634530026044593
Energy: 0.7907553522283052
Energy: 0.8414803738782307
Energy: 0.8214869797665455
Energy: 0.8471479339218019
Energy: 0.8435764038170216
Energy: 0.92888730750138
Energy: 0.9126051202069937
Energy: 0.9466603209807644
Energy: 0.8963456694381421
Energy: 0.9265504264501334
Energy: 0.8949304499352864
Energy: 0.8772797144311137
Energy: 0.9365412325123105
Energy: 0.9424594159502995
Energy: 0.7982664771323474
Energy: 0.8586056043958197
Energy: 0.8786406515956761
Energy: 0.9113536841982389
Energy: 0.8649641813674722
Energy: 0.9600912782334454
Energy: 0.8473526732510936
Energy: 0.8680290550618894
Energy: 0.8558478146975537
Energy: 0.9301374118073208
Energy: 0.8552589882440856
Energy: 0.8295039160568769
Energy: 0.9191886294883261
Energy: 0.9851856196939334
Energy: 0.852881690148643
Energy: 0.97828546875097
Energy: 0.8738880453551424
Energy: 0.9817543688349648
Energy: 0.8891553746476224
Energy: 0.9617224798056706
Energy: 0.9049107243979797
Energy: 0.9076172179535007
Energy: 0.998949651706449
Energy: 0.9000453127514678
Energy: 0.9338366683854779
Energy: 0.8571406690873646
Energy: 0.9337606922138882
Energy: 0.823488296225514
Energy: 0.8843432162823562
Energy: 0.9703221901477171
Energy: 0.8661999288243885
Energy: 0.8467266874293984
Energy: 0.920710096637577
Energy: 0.8676781271024819
Energy: 0.9685446995642718
Energy: 0.9578259148335253
Energy: 0.9173748546346459
Energy: 0.8301758005963612
Energy: 0.8994708546808435
Energy: 0.8759359331176154
Energy: 0.9900366263660532
Energy: 0.8443045592662521
Energy: 0.9679582706016474
Energy: 0.91749234602094
Energy: 0.8652969004496196
Energy: 0.806685769959
Energy: 0.9410015460993868
Energy: 0.9049771497297512
Energy: 0.8583111421332249
Energy: 0.8675542581177689
Energy: 0.8845712830115207
Energy: 0.8498677666742505
Energy: 0.8522220315127378
Energy: 0.9405809830552259
Energy: 0.9230574361631604
Energy: 0.9978406577801864
Energy: 0.8626907111174001
Energy: 0.9170457551378951
Energy: 0.9334612623375974
Energy: 1.0081689897204662
Energy: 0.9648585615819908
Energy: 0.9788647477625204
Energy: 0.9328459572314051
Energy: 0.8600698122182043
Energy: 0.8881088550113653
Energy: 0.9803190249805805
Energy: 0.849551584103394
Energy: 0.8665421033762511
Energy: 0.8911624033763518
Energy: 0.9766292996014151
Energy: 0.78086687536207
Energy: 0.8279342297160048
Energy: 0.9509454616530474
Energy: 0.7328544158949468
Energy: 0.8821564563477088
Energy: 0.8475184520848654

minimum gb energy = 0.7328544158949468 eV
minimum distance =  2.29242451821137 Angstroms
sigma value = 311


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

Energy: 0.9176786831441528
Energy: 0.9673075131613146
Energy: 0.9647380163793225
Energy: 0.9336151478758951
Energy: 0.9287683071236634
Energy: 0.8940146298413961
Energy: 0.9748728528082246
Energy: 0.8681200882801777
Energy: 0.914370249052456
Energy: 0.8534497074391537
Energy: 0.8730657023736863
Energy: 0.9412920428008819
Energy: 1.0218007628583843
Energy: 0.9685862381983881
Energy: 0.9015871513558908
Energy: 0.8975061221886351
Energy: 0.9404058808409353
Energy: 0.9736666940833725
Energy: 0.9266541003318016
Energy: 0.9521291416342187
Energy: 0.835208558345638
Energy: 0.8872755206619669
Energy: 0.9312142104257664
Energy: 0.9251525438989269
Energy: 0.9519592129726623
Energy: 0.8293615461145454
Energy: 0.8868615498627722
Energy: 0.8118774674275661
Energy: 0.968100822129582
Energy: 0.9013225444137908
Energy: 0.9105087838731832
Energy: 0.820963992316405
Energy: 0.8204563174524261
Energy: 0.9751739978993058
Energy: 0.9119498850514957
Energy: 0.88444406372823
Energy: 0.8451822725309955
Energy: 0.8620094471931575
Energy: 0.84112726984059
Energy: 0.8744434627262062
Energy: 0.9039158824010891
Energy: 0.8381114621186282
Energy: 0.9177143278821327
Energy: 0.9752538132683366
Energy: 0.8934833716441869
Energy: 0.9589152630010059
Energy: 0.9358894721812802
Energy: 0.8787659616813187
Energy: 0.9539875576504728
Energy: 0.8507455154203125
Energy: 0.971066179094329
Energy: 0.1549525204602048
Energy: 0.8804225355466953
Energy: 0.9588379542157441
Energy: 0.9058581061587448
Energy: 0.8223227845355704
Energy: 0.9292649691025481
Energy: 0.9572621972067316
Energy: 0.8272595550149237
Energy: 0.9172716589057076
Energy: 0.9456489141556325
Energy: 0.8781150844552252
Energy: 0.8462031926601274
Energy: 0.9049045574990814
Energy: 0.8944023781488396
Energy: 0.9130280767685155
Energy: 0.933423644878009
Energy: 0.9028732226032603
Energy: 0.9663631910212738
Energy: 0.8775825760964673
Energy: 0.9292320896040287
Energy: 0.9793692186287207
Energy: 0.8824755453355135
Energy: 0.9483737929915307
Energy: 0.8581082325864577
Energy: 0.8129290838943298
Energy: 0.8570492336907102
Energy: 0.842444338910957
Energy: 0.841413880022739
Energy: 0.8682585090496076
Energy: 0.8475465199402067
Energy: 0.8982647692659607
Energy: 0.8040906780372284
Energy: 0.8651985099891089
Energy: 0.8690564727722293
Energy: 0.8966939318214496
Energy: 0.9041433568808342
Energy: 0.9234702839275819
Energy: 0.9248167984606177
Energy: 0.8936945028122252
Energy: 0.948152263809723
Energy: 0.9648867036298392
Energy: 0.8077387914047801
Energy: 0.3874347181619762
Energy: 0.902838730773153
Energy: 0.8580869042271622
Energy: 0.8632321566888265
Energy: 0.8249901643107114
Energy: 0.9789060599506499
Energy: 0.9602997875600897
Energy: 0.9707665825671999
Energy: 0.9762854185905209
Energy: 0.8630911391947236
Energy: 0.9059882948881242
Energy: 0.7728828596164539
Energy: 0.8509706327325339
Energy: 0.8533692692333045
Energy: 0.915086990541328
Energy: 0.8660304384132693
Energy: 0.8997902139485902
Energy: 0.8114366921377824
Energy: 0.819752457191124
Energy: 0.9386541346881462
Energy: 0.8641261268651294
Energy: 0.892718744095191
Energy: 0.9308868164207577
Energy: 0.8741828534341038
Energy: 0.8916020814296617
Energy: 0.8540886581476722
Energy: 0.8267987258130896
Energy: 0.8404546298562737
Energy: 0.847874636480866
Energy: 0.8389240739109222
Energy: 0.8684789906364366
Energy: 0.8439956091670503
Energy: 0.8467602320046748
Energy: 0.9472686877040543
Energy: 0.8980006551128998
Energy: 0.9035987684244347
Energy: 0.920557619750518
Energy: 0.9178003489427439
Energy: 0.8908619406418032
Energy: 0.9157246017670966
Energy: 0.49990932672458277
Energy: 0.8320622270320284
Energy: 0.714766248758038
Energy: 0.8406325389650308
Energy: 0.8700239990988613
Energy: 1.0112066835772275
Energy: 0.8115644903474629
Energy: 0.959077148817647
Energy: 0.8874347780414947
Energy: 0.9300228574653846
Energy: 0.9193586403522522
Energy: 0.8548856051974923
Energy: 0.8730577786969517
Energy: 0.831713336189133
Energy: 0.85440741846635
Energy: 0.8874223501402002
Energy: 0.876545732886539
Energy: 0.844661404772993
Energy: 0.8271768436288026
Energy: 0.8750572074003845
Energy: 0.7734263619736836
Energy: 0.9977524719831201
Energy: 0.8443656920777746
Energy: 0.9403270892412245
Energy: 0.8797679189141433
Energy: 0.9202158901442419
Energy: 0.9891361134445742
Energy: 0.8774034757753307
Energy: 0.8455550008579535
Energy: 0.837816335690824
Energy: 0.8618549688684204
Energy: 0.8201214359868215
Energy: 0.838147262897427
Energy: 0.7923984547857855
Energy: 0.8984099478546864
Energy: 0.9526292078575298
Energy: 0.9318240703176434
Energy: 0.9098479853764629
Energy: 0.9863186576006264
Energy: 0.8429386817854649
Energy: 0.8705378511006961
Energy: 0.855793824276056
Energy: 0.988770339589181
Energy: 1.024353541020703
Energy: 0.6775585060288981
Energy: 0.8669672987453367
Energy: 0.8499992817846093
Energy: 0.8797262542126553
Energy: 0.8958122870769393
Energy: 0.885670949697538
Energy: 0.8813696738822588
Energy: 0.9275523145170097
Energy: 0.8643148355699801
Energy: 0.9529612313417601
Energy: 0.8484257955392026
Energy: 0.9531009963606497
Energy: 0.9023909553191607
Energy: 0.8609245283678659
Energy: 0.8966204086092071
Energy: 0.8207613448272164
Energy: 0.9168405362845933
Energy: 0.8214242149918343
Energy: 0.887673322559002
Energy: 0.9310791068576503
Energy: 0.915746002973619
Energy: 0.9403965782512315
Energy: 0.8469033447378981
Energy: 0.8986749902817599
Energy: 0.8547505196263132
Energy: 0.9006893441745074
Energy: 0.9315796875470899
Energy: 0.9377421195168486
Energy: 0.9101669388807484
Energy: 0.812612255910358
Energy: 0.8462914894715943
Energy: 0.8951741301353784
Energy: 0.8528584354624102
Energy: 0.9841432535804692
Energy: 0.9787845884347433
Energy: 0.8233626782339484
Energy: 0.951117609869924
Energy: 0.8945449868715469
Energy: 0.8194256899221657
Energy: 0.8494318604369057
Energy: 0.9216504705587836
Energy: 0.9133318652187207
Energy: 0.14122944834971332
Energy: 0.922424756308475
Energy: 0.9646268812352912
Energy: 1.0114002173338787
Energy: 0.8432709053782892
Energy: 0.8495584862149788
Energy: 0.9570463047179301
Energy: 0.8895245820828107
Energy: 0.9202004208089597
Energy: 0.9569050536346716
Energy: 0.8498679761267671
Energy: 0.8720368077764503
Energy: 0.8757493079267558
Energy: 0.8580361219051549
Energy: 0.8980954836010844
Energy: 0.8291143342205259
Energy: 0.8905309548648358
Energy: 0.9264732284196411
Energy: 0.8477923415199291
Energy: 1.0092246918404966
Energy: 0.8894543693052612
Energy: 0.9898947910779099
Energy: 0.8921249378983256
Energy: 0.8596760379680451
Energy: 0.9215396364533391
Energy: 0.7881624357771626
Energy: 0.8770491606947743
Energy: 0.8648260181926963
Energy: 0.9498746872438959
Energy: 0.9545454335789408
Energy: 0.8492252276576558
Energy: 0.8855698353683898
Energy: 0.8560433473980439

minimum gb energy = 0.14122944834971332 eV
minimum distance =  2.29891174691726 Angstroms
sigma value = 39


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

Energy: 0.9775140153809853
Energy: 0.7710650798606782
Energy: 0.8891115631503891
Energy: 1.136036341544135
Energy: 0.7819040068251448
Energy: 0.7894354516397106
Energy: 0.972126686294714
Energy: 0.9130063048917821
Energy: 0.7087610644396696
Energy: 0.8610708062576534
Energy: 0.8745504966599058
Energy: 1.0282305877640912
Energy: 0.9901967309158182
Energy: 0.9843477698024682
Energy: 0.79502652985882
Energy: 0.9656597363561429
Energy: 0.922001615503364
Energy: 0.8176218888874576
Energy: 0.9846773253827238
Energy: 0.9909659192324384
Energy: 0.9250529049767413
Energy: 0.8235729401035514
Energy: 0.8856620122754572
Energy: 0.7506667296693728
Energy: 0.6746337869997018
Energy: 0.8690408926718157
Energy: 0.8342457625447391
Energy: 0.9821116366268456
Energy: 1.022890068756722
Energy: 1.0221653162008522
Energy: 0.865833800873691
Energy: 0.8873840144499687
Energy: 0.7215661871227603
Energy: 0.8526916876397012
Energy: 0.9931058527234284
Energy: 0.8054695628409906
Energy: 0.8905969800694786
Energy: 0.8463148064316375
Energy: 0.8772495040033287
Energy: 0.7612453451068395
Energy: 0.7613259063230243
Energy: 0.9441349395669866
Energy: 0.8247478266945535
Energy: 0.8842923288020909
Energy: 0.885387064002616
Energy: 0.882065775386589
Energy: 0.9704456312064226
Energy: 0.9716216028872718
Energy: 0.9920556282655844
Energy: 0.9622529078893872
Energy: 0.8456407627049283
Energy: 0.8827612500301069
Energy: 0.7028361995949288
Energy: 0.7514606541125346
Energy: 0.7858388748275907
Energy: 0.8297749233244848
Energy: 0.9622587256186034
Energy: 0.8453389438161495
Energy: 0.7226831775491402
Energy: 0.881981100132311
Energy: 0.7410540189484699
Energy: 0.8482482503100381
Energy: 0.7869745543638054
Energy: 0.8217460128776036
Energy: 0.7349436322915547
Energy: 0.8437249082993564
Energy: 0.9452831222264859
Energy: 1.0289939236187335
Energy: 1.0074193278402017
Energy: 0.9934208813520684
Energy: 0.8237117041817412
Energy: 0.9355826104634036
Energy: 0.7469832747138337
Energy: 0.6765162728823393
Energy: 0.933630625269927
Energy: 0.9223496467657757
Energy: 0.7384659327692977
Energy: 0.9263064378255645
Energy: 1.0280313131455154
Energy: 0.7285486421844949
Energy: 0.7285485267242807
Energy: 0.715203016935206
Energy: 0.7172285670790604
Energy: 0.9841936561083228
Energy: 0.9600837370078661
Energy: 1.0215338122777229
Energy: 0.9314571666165843
Energy: 0.8355387334930559
Energy: 0.7018113683148701
Energy: 0.8198845241026053
Energy: 0.99051611038265
Energy: 0.9302064084082439
Energy: 0.8413162979294431
Energy: 0.833618169802947
Energy: 0.8743346718492767
Energy: 0.971713962389408
Energy: 0.9699186425438088
Energy: 0.9276905138231074
Energy: 0.8075600243565065
Energy: 0.7073812439655744
Energy: 0.8393715232574959
Energy: 1.081251118336836
Energy: 0.9721712275045863
Energy: 0.8975203140534237
Energy: 0.9281121220280586
Energy: 0.9775835030692193
Energy: 0.6836105451836881
Energy: 0.8773911591660906
Energy: 0.8562862674212809
Energy: 0.7815230350307256
Energy: 0.790837196867971
Energy: 0.9704089308699457
Energy: 0.912642473987249
Energy: 0.707068777666814
Energy: 0.8610422786277969
Energy: 0.8732441085529542
Energy: 1.0274267554096146
Energy: 0.9902402792693827
Energy: 0.9817115658280845
Energy: 0.865679021687039
Energy: 0.9652975856347846
Energy: 0.9212698322967989
Energy: 0.8174767050483013
Energy: 0.9852248322236284
Energy: 0.9920119192377401
Energy: 0.9014024204238104
Energy: 0.8236138650878454
Energy: 0.8845236969512228
Energy: 0.7510021918988323
Energy: 0.7282703776594069
Energy: 0.8689403915675878
Energy: 0.835133212572359
Energy: 0.9812732780044447
Energy: 1.0211412076653932
Energy: 1.0216484806055197
Energy: 0.866323939542888
Energy: 0.8866177004632934
Energy: 0.7220007291818928
Energy: 0.831894870483351
Energy: 0.9909609831612652
Energy: 0.8051856257916611
Energy: 0.8915544971126494
Energy: 0.8457170361355836
Energy: 0.8773119580671286
Energy: 0.7611456911838194
Energy: 0.9010587093590661
Energy: 0.9447150358604598
Energy: 0.8245032127390238
Energy: 0.7003686625126722
Energy: 0.8855649960069056
Energy: 0.8824157945574022
Energy: 0.9712763598436718
Energy: 0.9613948060719538
Energy: 0.9921307488368721
Energy: 0.9619703010665166
Energy: 0.8451340143016098
Energy: 0.8833356171038867
Energy: 0.7032505950297583
Energy: 0.7519500104709235
Energy: 0.7863570455530225
Energy: 0.7865811241552111
Energy: 0.9623606696813027
Energy: 0.8456269592504749
Energy: 0.8302459203487215
Energy: 0.8817134574447313
Energy: 0.7405618601585349
Energy: 0.6691167979643481
Energy: 0.9443429999569631
Energy: 0.8213698108028815
Energy: 0.7340227333297812
Energy: 0.8529248664845096
Energy: 0.9451220898463532
Energy: 1.0290024817850683
Energy: 0.9906285738382958
Energy: 0.9931486191799694
Energy: 0.8259052801353942
Energy: 0.935222951287369
Energy: 0.7467444212076662
Energy: 0.6765326702129616
Energy: 0.9332761543343745
Energy: 0.8370927826478365
Energy: 0.7386632410329471
Energy: 0.9279611113704385
Energy: 1.0286106409845928
Energy: 0.802526265407186
Energy: 0.8033817118337611
Energy: 0.7152934803243401
Energy: 0.8021109630731174
Energy: 0.9837363781832421
Energy: 0.9595885021212347
Energy: 1.0219585970001863
Energy: 0.9316960492006463
Energy: 0.8349872189825674
Energy: 0.6993603348938969
Energy: 0.8084132058906327
Energy: 0.9903379078498938
Energy: 0.930338144248224
Energy: 0.8415560242423136
Energy: 0.838710558452345
Energy: 0.8215582009645889
Energy: 0.9715243402200638
Energy: 0.9692512919687106
Energy: 0.9934712990042768
Energy: 0.808148425507083
Energy: 0.7086050827273609
Energy: 0.8363467312665405
Energy: 0.879127776643193
Energy: 0.9718172339911445
Energy: 0.8984050136052875
Energy: 0.9013582624384233

minimum gb energy = 0.6691167979643481 eV
minimum distance =  2.22906751877372 Angstroms
sigma value = 21


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

Energy: 1.207932766723971
Energy: 0.2616839737414718
Energy: 0.8409349611845354
Energy: 1.271109323759825
Energy: 0.8804229144029568
Energy: 0.8702755596718421
Energy: 0.8915709793539165
Energy: 0.8147607530171747
Energy: 0.8648559310089424
Energy: 0.8848581047189705
Energy: 0.8620163556092372
Energy: 0.9153955955335451
Energy: 0.9449424304960664
Energy: 0.9120222170957057
Energy: 0.8656706362956089
Energy: 0.7712970656562333
Energy: 0.7535551612399141
Energy: 0.8901994812106059
Energy: 0.9636688598525829
Energy: 0.8351212679276862
Energy: 0.8462602677610277
Energy: 0.8012892734940384
Energy: 0.8802872726099908
Energy: 1.033686188430103
Energy: 0.6949075026016118
Energy: 0.9750306073783979
Energy: 0.9852862088801975
Energy: 0.8472512374438423
Energy: 0.847182640255884
Energy: 0.9026819839526621
Energy: 0.8592928306348363
Energy: 0.7032821218184901
Energy: 0.7326513387849535
Energy: 0.9190752765668707
Energy: 0.8613420319841952
Energy: 0.810135690033169
Energy: 0.7321501177498871
Energy: 1.0187690334118653
Energy: 0.8210554367337195
Energy: 0.6572576637506655
Energy: 0.8478294974794574
Energy: 0.8476586210717041
Energy: 0.9060664722818199
Energy: 0.8146184350772108
Energy: 0.9552888691243124
Energy: 1.004652396635091
Energy: 0.8310749252691272
Energy: 0.828692401838626
Energy: 0.8570380042630523
Energy: 0.8741715586874579
Energy: 0.7017345318465112
Energy: 0.8127558680784328
Energy: 0.7970748005254755
Energy: 0.9012425147744526
Energy: 0.845688647522583
Energy: 0.8134859470693435
Energy: 0.8505576168114557
Energy: 0.9227136385653707
Energy: 0.8869186621116305
Energy: 0.7384466235128175
Energy: 0.833053895243116
Energy: 0.8476294241696682
Energy: 0.7897238445498086
Energy: 0.8518074246594248
Energy: 0.5257662761224168
Energy: 0.8649426680756849
Energy: 0.807873263835482
Energy: 0.6912430095426627
Energy: 0.8122825347210088
Energy: 0.9678188327308324
Energy: 0.9387234046926733
Energy: 0.7950871415617436
Energy: 0.8220965180264218
Energy: 0.8169438886529512
Energy: 0.8143822836090265
Energy: 0.892059747610456
Energy: 0.8444426252200223
Energy: 0.8587154910725766
Energy: 0.8638436372632067
Energy: 0.8713119681438011
Energy: 0.9741125270099146
Energy: 0.8921621477307159
Energy: 0.9602199126689613
Energy: 0.824815595914273
Energy: 0.9600422731659972
Energy: 0.9139635362180507
Energy: 0.8406909457029454
Energy: 0.8887413242167795
Energy: 0.9885163104718176
Energy: 0.9782705250896915
Energy: 0.8117707256163222
Energy: 0.9588711728117555
Energy: 0.9136811550603974
Energy: 0.9598355455377623
Energy: 0.9359139726997655
Energy: 0.9025165333340056
Energy: 0.862054632188629
Energy: 0.8755354646891272
Energy: 0.8592051988641816
Energy: 0.7692808812651145
Energy: 0.7675560317238215
Energy: 0.7966018618792103
Energy: 0.9045884986047517
Energy: 0.8525055263283253
Energy: 0.7942299121640648
Energy: 0.8699570148600247
Energy: 0.9412175531568572
Energy: 0.8979664122113589
Energy: 0.7001212870748051
Energy: 0.9814569222453974
Energy: 0.7324189736629568
Energy: 0.8239460896350936
Energy: 0.8481150509545667
Energy: 0.7900902328653553
Energy: 0.8460043781159456
Energy: 0.7025103016712945
Energy: 0.862816322979544
Energy: 0.8439351191155079
Energy: 0.8470898398020571
Energy: 0.8078402366436477
Energy: 0.9229427281770669
Energy: 1.095538996179039
Energy: 0.6957725180225348
Energy: 0.7294976950898511
Energy: 0.800157335364733
Energy: 0.8933845537944574
Energy: 0.2875943322548839
Energy: 0.7700147737511519
Energy: 0.7990971957401941
Energy: 0.8793785289936783
Energy: 0.8846853003722845
Energy: 0.8093991274707075
Energy: 0.7617319198823104
Energy: 0.5041693203415873
Energy: 0.8262797007541961
Energy: 0.8180774173931783
Energy: 0.8301360204931575
Energy: 0.8127596148476044
Energy: 0.8440426806320976
Energy: 0.7747622615433327
Energy: 0.8722224662628364
Energy: 0.8938174346749347
Energy: 0.6964879865565878
Energy: 0.7952029349679387
Energy: 0.7301897257630483
Energy: 0.8938756746228348
Energy: 0.9473534332963965
Energy: 0.8997700740223359
Energy: 0.8310336236059115
Energy: 0.8480911083645992
Energy: 0.83420861922116
Energy: 0.7575659482273871
Energy: 0.8176059356213805
Energy: 0.8157804451355372
Energy: 0.87243340513498
Energy: 0.9692981843295707
Energy: 0.7532790289030614
Energy: 0.7870643633744736
Energy: 0.8038461199879808
Energy: 0.7837216713414938
Energy: 0.7797746491550028
Energy: 0.8624269807800241
Energy: 0.7939167460935466
Energy: 0.7524124056812184
Energy: 1.0102069359703605
Energy: 0.9788525447770933
Energy: 0.9606041342029119
Energy: 0.866423098090501
Energy: 0.9591032861695646
Energy: 0.9135990229156506
Energy: 0.6586360790754009
Energy: 0.9408729137977401
Energy: 0.8664888096709271
Energy: 0.760000614357506
Energy: 0.8492932665363325

minimum gb energy = 0.2616839737414718 eV
minimum distance =  2.31130916141934 Angstroms
sigma value = 113


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

Energy: 1.0378065835216153
Energy: 1.3502703326629057
Energy: 1.0888860834225602
Energy: 1.0209264244086724
Energy: 0.16661239848510453
Energy: 1.035301544186115
Energy: -0.4908802952913686
Energy: 0.9847947128352623
Energy: -0.5294393477281916
Energy: -0.38699089039428314
Energy: -0.27756936657928244
Energy: -0.3918794306909634
Energy: -0.6147785547075522
Energy: 0.801307361535891
Energy: -0.4059437862752879
Energy: 0.8451408521033099
Energy: 0.8252868328015819
Energy: -0.7804878687946903
Energy: -0.5499360714012211
Energy: 0.9019285458548042
Energy: 0.8586030064831922
Energy: 0.9071300659134383
Energy: -0.5480731331578539
Energy: -0.610457748618558
Energy: -0.47230539118762976
Energy: -1.0796237484110012
Energy: 0.9252955260171092
Energy: 0.8408079912818929
Energy: 0.9500845168419044
Energy: 0.682965262457181
Energy: -0.5782376326400539
Energy: 0.7728086822011564
Energy: 0.7627938745965298
Energy: -0.43994470127422985
Energy: 0.7245580159242787
Energy: 0.15031104524002806
Energy: 0.7731689433710183
Energy: 1.0526062304448058
Energy: 0.7113641535403322
Energy: 0.8933245928124319
Energy: 0.9156143723271248
Energy: 0.8284177839873608
Energy: 0.9740409090900838
Energy: 0.7393094660498759
Energy: 0.8374189979746052
Energy: 0.7401187625888859
Energy: 0.8209419990851344
Energy: 0.8371663856583113
Energy: 0.7355961541140239
Energy: 0.9339718579679841
Energy: 0.7077799067019515
Energy: 0.6982881462406804
Energy: -0.5501486781351155
Energy: 0.775822467364026
Energy: 0.7429349209557834
Energy: 0.735184630209532
Energy: 0.8286202693551133
Energy: 0.7069097032719323
Energy: 0.843169488572601
Energy: 0.829076994731781
Energy: 0.7314562495687555
Energy: 0.7190512327966553
Energy: 0.8142290349967564
Energy: 1.0996470916605479
Energy: 0.7157717779835658
Energy: 0.6979321650613347
Energy: 0.7987637895863879
Energy: 0.6974854453462617
Energy: 0.6861081367425352
Energy: 0.7762822471424978
Energy: 1.0170875998916897
Energy: 0.7253374046972468
Energy: 0.6591016973303823
Energy: 0.6810032391488366
Energy: 0.7721083539769309
Energy: 0.7176866813099179
Energy: 0.780787290392085
Energy: 0.8706696961395426
Energy: 0.7407156419094962
Energy: 0.8745513250636312
Energy: 0.8214931803699531
Energy: 0.8227358745997201
Energy: 0.7429229339049833
Energy: 0.715683047280201
Energy: -0.3925914382428739
Energy: 0.6722865461136208
Energy: 0.8035395787603616
Energy: 0.772995416831098
Energy: 0.7247912409382428
Energy: 0.6711908090217127
Energy: 0.7558014445040832
Energy: 0.8611276058742872
Energy: 0.7495074730794521
Energy: -1.1870338876407804
Energy: 0.7960771541843786
Energy: 0.8389335519585064
Energy: 0.9168627680447807
Energy: 0.6888273768219159
Energy: 0.810685693243106
Energy: 0.8743153447787088
Energy: 1.0107467255088955
Energy: 0.7160311930426702
Energy: 0.6349561960588298
Energy: 1.0856305595819684
Energy: 0.8971833016135226
Energy: 0.9357334409877938
Energy: 0.6761461658664701
Energy: -0.37899224974910883
Energy: 0.7891801267258711
Energy: -0.9059108306510312
Energy: 0.6732416728937468
Energy: 0.7704960670556756
Energy: 1.010011371108458
Energy: 0.8193374503812959
Energy: 0.8531725296208442
Energy: 0.7467250680230347
Energy: -0.7786926392016822
Energy: -0.554449447851442
Energy: 0.7787777662275513
Energy: 0.9204467052308585
Energy: 0.8446992611214438
Energy: 0.8355850793287237
Energy: -0.35826742936740524
Energy: 0.9033667678560838
Energy: 0.8715638869716827
Energy: 0.8229634855215482
Energy: 0.9540553929108291
Energy: 0.7328515945457208
Energy: -0.6457592124685788
Energy: 0.7488868265226942
Energy: -0.3994689627081724
Energy: 0.9190199033210295
Energy: 0.7273897381667388
Energy: 1.0075504119807572
Energy: -0.3020168775198437
Energy: 1.1296075316396523
Energy: 0.8586911307813069
Energy: 1.081008333746364
Energy: 0.9177137607709689
Energy: -0.6181572259229668
Energy: 1.1034541822827768
Energy: 0.7086315485708484
Energy: -0.43345793809489824
Energy: -0.6157033181750511
Energy: -0.6908367972003094
Energy: -0.7887147110733369
Energy: 0.12344446331028164
Energy: 0.9551477000130195
Energy: -0.9781296380558229
Energy: -0.6261610394541561
Energy: -0.4855775161940434
Energy: -0.6336309232794345
Energy: -0.5004623613411657
Energy: -0.5872539646115025
Energy: -0.5255219232834794
Energy: -0.5498381889159966
Energy: 1.1213717559213627
Energy: 1.0918367360203038
Energy: 0.942005541135775
Energy: 0.9596968815081341
Energy: 0.9240100734075015
Energy: 0.15399713330475653
Energy: 0.6952876006942371
Energy: 0.7955248437371839
Energy: -0.21613252473400954
Energy: -0.35278574108076305
Energy: -0.6927123685752392
Energy: -0.974835597348689
Energy: 0.9754864777943183
Energy: 0.8951620964973117
Energy: -0.8508355520082211
Energy: -0.7693488216919593
Energy: -0.5872735317252105
Energy: -0.5291755813161991
Energy: 0.8745236692615355
Energy: 0.8193396458200003
Energy: 0.8171980721514615
Energy: 1.0312636532470985
Energy: 0.7743893383749605
Energy: -0.7039159862564395
Energy: 0.934928536887627
Energy: 0.7941304855597635
Energy: 0.09751208525213266
Energy: 0.664762930797652
Energy: 0.6859244486479393
Energy: 0.7248381600027417
Energy: -0.20293498916321628
Energy: -0.42839751493032885
Energy: 0.814697529545321
Energy: 0.18673638137504597
Energy: 0.7919727953017426
Energy: 1.0631658429614244
Energy: 0.730671574019636
Energy: 0.8056888178501386
Energy: 0.932970771809309
Energy: 0.8876875090418239
Energy: 0.8520115982129578
Energy: 0.7467924907805107
Energy: 0.9294106945350482
Energy: 0.8595979084850947
Energy: 0.8564665458468941
Energy: 0.7947024892942767
Energy: 0.730411971374108
Energy: 0.9725779508214069
Energy: 0.6938575535865719
Energy: 0.7392780244502243
Energy: 0.736015650054176
Energy: -0.6264934222553866
Energy: 0.6828564653831757
Energy: 0.7381998069065558
Energy: 0.845325366048283
Energy: 0.7477459630821626
Energy: 0.932460389393722
Energy: 0.7839374985190052
Energy: 0.7444456847933368
Energy: 0.6773160012396202
Energy: 0.8066287837513598
Energy: 1.0317732402822397
Energy: 0.7636472841221278
Energy: 0.8041481260177569
Energy: 0.7767604103301026
Energy: 0.7643992624048297
Energy: 0.6488590155746219
Energy: 0.7673720890122556
Energy: 1.0486521112700689
Energy: 0.7881589884196727
Energy: 0.7221428753271187
Energy: 0.7567882002976227
Energy: 0.7328787665141071
Energy: 0.695819203942609
Energy: 0.763940898976348
Energy: 0.9199231129198929
Energy: 0.7350051419275069
Energy: 0.9930857209623826
Energy: 0.8243918302417742
Energy: 0.8313991216142349
Energy: 0.6893178840000993
Energy: 0.7615783266162262
Energy: -0.49047167499426764
Energy: 0.6844818810257285
Energy: 0.7694937518275373
Energy: 0.7542276569700911
Energy: 0.6989074123217107
Energy: 0.6601928793902524
Energy: 0.6703294109149286
Energy: 1.0264115416959059
Energy: 0.7704190908009783
Energy: 0.8062946317134778
Energy: 0.7940090062667948
Energy: 0.806176046668874
Energy: 0.8328269201440798
Energy: 0.667515982117648
Energy: 0.8864628890529949
Energy: 0.6973129752975958
Energy: 1.001654868713084
Energy: 0.7457142626278856
Energy: 0.7527800532750977
Energy: 1.0039402342210888
Energy: 0.7414804676238417
Energy: -0.5863196572794629
Energy: 0.6875215439723471
Energy: -0.4567780201253979
Energy: 0.7640095047231603
Energy: 0.6373283143266397
Energy: 0.7434504950064542
Energy: 0.7843744610681623
Energy: 0.8157776121289106
Energy: 0.7989264422614535
Energy: -0.3960415795848725
Energy: -0.7972728563031194
Energy: -0.6280049522527426
Energy: 1.0489555095005374
Energy: 0.7720387622848299
Energy: 0.9392056332268174
Energy: 0.8182657428365079
Energy: 0.7949440580736139
Energy: 0.7752180541465568
Energy: -0.663110326262452
Energy: 0.8862409246881919
Energy: 0.8893078698070938
Energy: 0.8553937063059942
Energy: 0.7574714450261552
Energy: 0.7747447416505475
Energy: 0.7548091200209124
Energy: -0.33261119145676515
Energy: 0.849238972109406
Energy: -0.5918686053988474
Energy: 1.0337953801898854
Energy: -0.21808146550240892
Energy: 1.102619487340497
Energy: 1.045587091206134
Energy: 0.9186501391968828
Energy: 1.0300430986250513
Energy: 1.0230253108766834
Energy: 0.8930904192664461
Energy: 0.7972604339608054
Energy: 0.710919012943384
Energy: -0.6493717877084417
Energy: -0.6977908044009953
Energy: 0.8328424282384949
Energy: -1.0271281833788963
Energy: -0.5423108582835435
Energy: -0.7690778052930651
Energy: -0.9985529840530407
Energy: -0.5177929073986066
Energy: -0.6091435772731941
Energy: 0.8855998991832251
Energy: -1.070921789350891
Energy: 1.03110787923944
Energy: 0.8085584689818179
Energy: 1.1663241181385806
Energy: 0.8568037512108889
Energy: -0.4824961213584709
Energy: 0.9847622829677964
Energy: -0.5954305701840266

minimum gb energy = -1.1870338876407804 eV
minimum distance =  2.2660771564094 Angstroms
sigma value = 365


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

Energy: 1.0066704039068768
Energy: 0.46228031137454456
Energy: 0.46830644622162154
Energy: 0.4649629076633736
Energy: 0.4684992194073337
Energy: 0.46805799117191993
Energy: 0.45707684392950443
Energy: 0.9574133785887123
Energy: 0.49084137524013577
Energy: 0.9511033783170441
Energy: 0.46037572546956035
Energy: 0.46508363999478375
Energy: 0.9124726810640093
Energy: 0.48430087615156703
Energy: 0.9584208326830153
Energy: 0.4904115851358688
Energy: 0.4658173816059172
Energy: 0.4614180260425165
Energy: 0.462864219227872
Energy: 0.46502732715567074
Energy: 0.45957092075538647
Energy: 0.959559255198854
Energy: 0.4891933620863551
Energy: 0.4643717517006009
Energy: 0.4654796335106974
Energy: 0.46628888237882415
Energy: 0.46552036148460585
Energy: 0.45964095350080914
Energy: 0.9894666176000781
Energy: 0.484496865251664
Energy: 0.8808518912757454
Energy: 0.4709727925006211
Energy: 0.9398774748998988
Energy: 0.880041866997406
Energy: 0.4825125903642896
Energy: 1.007387985166198
Energy: 0.8764439778330829
Energy: 0.46662741947081493
Energy: 0.46376480015059024
Energy: 0.46706341305033927
Energy: 0.4683082141121339
Energy: 0.45877336423596277
Energy: 0.957129785362969
Energy: 0.49108430141629533
Energy: 0.9134982854453069
Energy: 0.4582359722324205
Energy: 0.4619256891646917
Energy: 0.466446651322027
Energy: 0.45765172408922217
Energy: 0.957630418187949
Energy: 0.4899054558753004
Energy: 0.46638484451326584
Energy: 0.4583745284529446
Energy: 0.46113625089616495
Energy: 0.46212936484662026
Energy: 0.4958732583309844
Energy: 0.9563814734480597
Energy: 0.8765695677196201
Energy: 0.4667769441631418
Energy: 0.467073717116453
Energy: 0.46661337705232725
Energy: 0.4677266044577468
Energy: 0.45758697921328717
Energy: 0.9895220522113223
Energy: 0.46840099230905013
Energy: 0.879786190400348
Energy: 0.4509416772078013
Energy: 0.45406870389643816
Energy: 0.880388092694018
Energy: 0.4632764096778352
Energy: 0.9589762180509583
Energy: 0.5026211443300582
Energy: 0.46797954020146376
Energy: 0.4667082833553498
Energy: 0.46724937814853906
Energy: 0.46724482935829903
Energy: 0.4568631238883608
Energy: 0.9575326009388173
Energy: 0.49011614896439615
Energy: 0.4636788747509626
Energy: 0.45948269173905193
Energy: 0.46230117250214053
Energy: 0.46432680877699617
Energy: 0.46709483686960673
Energy: 0.9570961307604563
Energy: 0.4572345621366387
Energy: 0.9111807013922919
Energy: 0.4587042691657508
Energy: 0.46108249947510843
Energy: 0.4591767637814985
Energy: 0.49293500301277055
Energy: 1.00695062750223
Energy: 0.8777219816968952
Energy: 0.4690714038236723
Energy: 0.46369988151782604
Energy: 0.4658930218567062
Energy: 0.4683349208408168
Energy: 0.4579215915883003
Energy: 0.44251734666235515
Energy: 0.486967295019044
Energy: 0.8802915884173734
Energy: 0.6217891935742866
Energy: 0.4678590453756197
Energy: 0.9495924590081146
Energy: 0.4835386042241517
Energy: 0.9585286913527052
Energy: 0.4943290687074152
Energy: 0.4644422334106821
Energy: 0.463097134022815
Energy: 0.466007376419409
Energy: 0.4658939328902847
Energy: 0.4579150637583315
Energy: 0.9588569631782204
Energy: 0.49256854714037634
Energy: 0.4670588330913152
Energy: 0.46443454808860407
Energy: 0.4633038404461923
Energy: 0.4644399016681497
Energy: 0.46014016628729026
Energy: 0.442357821316981
Energy: 0.4810336072496018
Energy: 0.9509312068453452
Energy: 0.4633062330449306
Energy: 0.4648105909492854
Energy: 0.9491823041971377
Energy: 0.4900787375874373
Energy: 1.006799149664607
Energy: 0.4723250211610637
Energy: 0.4692540816996368
Energy: 0.46441540771053813
Energy: 0.4726658600842188
Energy: 0.470319505210581
Energy: 0.46007556956430234
Energy: 0.9571604790592791
Energy: 0.49371604099327343
Energy: 0.9503760335772197
Energy: 0.4597450252191567
Energy: 0.4620028145694714
Energy: 0.911753013436119
Energy: 0.48900311841140776

minimum gb energy = 0.442357821316981 eV
minimum distance =  2.41632333491913 Angstroms
sigma value = 23