Model name: model_name=EAM_MagneticCubic_MendelevHanSrolovitz_2003_Fe__MO_856295952425_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.658364951610565
cohesive_energy=4.002359338941917
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01508704509116051
Energy: 0.015963424132288948
Energy: 0.015533994790120699
Energy: 0.01596342413467064
Energy: 0.015963424132288948
Energy: 1.070411168607548
Energy: 0.015963424134092227
Energy: 1.0704111686087388
Energy: 0.015533994797299798
Energy: 0.01596342413467064
Energy: 0.01508704509116051
Energy: 0.015963424133479794
Energy: 0.015963424133479794
Energy: 1.0704111686081266
Energy: 0.015963424133479794
Energy: 1.070411168607548

minimum gb energy = 0.01508704509116051 eV
minimum distance =  2.49992239281161 Angstroms
sigma value = 1


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

Energy: -2.6034948847363992
Energy: 0.6859235013050612
Energy: 0.1820982445071456
Energy: 0.6859235013020903
Energy: -2.7249042007013133
Energy: -2.0672747002224425
Energy: -2.478504351514771
Energy: -2.157213839800735
Energy: -1.9549089303592468
Energy: 0.6552048235636958
Energy: -2.5963023918308674
Energy: 0.6552048235644385
Energy: -2.344766092051448
Energy: 0.616758524445296
Energy: -2.4502631856682373
Energy: 0.616758524445296
Energy: -2.3466599824582577
Energy: 0.6772179808287445
Energy: -2.1397256620664336
Energy: 0.6772179808257736
Energy: -2.4870618248163643
Energy: 0.8469801439834037
Energy: -1.962950665113903
Energy: 0.846980143982661
Energy: -2.517134822305913
Energy: 0.6449092592904887
Energy: -2.42962428412432
Energy: 0.6449092594924497
Energy: -2.226500922988874
Energy: 0.6753125463049401
Energy: -1.7750978839524718
Energy: 0.6753125463131103
Energy: -2.400021917137268
Energy: -2.4245514278700635
Energy: -2.5068021754881804
Energy: -2.3189017746669482
Energy: -1.9710077109283746
Energy: 0.6684331202685023
Energy: 0.1302653547136236
Energy: 0.6684331202699878
Energy: -2.4053951495075587
Energy: -2.48897900859691
Energy: -2.371227264766874
Energy: -2.475579611834504
Energy: -2.0892765466523473
Energy: 0.6852114807972091
Energy: -2.3876047051790015
Energy: 0.6852114807934953
Energy: -2.6729061601721003
Energy: 0.6554976308021963
Energy: -2.442656549939969
Energy: 0.6554976308014535
Energy: -2.489969084764934
Energy: 0.6634427990858738
Energy: -2.0834230897608954
Energy: 0.6634427990873593
Energy: -2.218860266017051
Energy: 0.6772677197718537
Energy: -2.7030995167000085
Energy: 0.6772677197718537
Energy: -2.2401782431413504
Energy: 0.6815017561473045
Energy: -2.3965505257643263
Energy: 0.6815017561480473
Energy: -2.462816586748231
Energy: 0.6542565990721814
Energy: -2.0848158657641034
Energy: 0.654256599069953
Energy: -2.6129866800905575
Energy: -2.019220095677252
Energy: -2.445560985748808
Energy: -2.104877025279393
Energy: -2.034751311185063
Energy: 0.6867503445817494
Energy: -2.2436020236822936
Energy: 0.686750344580264
Energy: -2.5443456811587613
Energy: -2.252725754301378
Energy: -2.3757225662948724
Energy: -2.384250304281809
Energy: -2.0889126153062514
Energy: 0.6541463481821173
Energy: -2.012129036830693
Energy: 0.6541463481813745
Energy: -2.3880849318869584
Energy: -2.787914551018739
Energy: -2.2743742721262556
Energy: -2.604564825155792
Energy: -2.2073527920308837
Energy: 0.6764696898128857
Energy: -2.042533719692105
Energy: 0.6764696898106574
Energy: -2.227034830744117
Energy: 0.6553337403870757
Energy: -2.5468207369172307
Energy: 0.6553337403841046
Energy: -2.4172572985274976
Energy: 0.8492421613177459
Energy: -2.2620205578128108
Energy: 0.8492421613125465
Energy: -1.9409312334706739
Energy: 0.6752737147098092
Energy: -2.4373780508525327
Energy: 0.6752737147172367
Energy: -2.183892104647511
Energy: 0.8323402366486624
Energy: -2.4704135031336745
Energy: 0.8323402366442059
Energy: -1.9017351660930246
Energy: 0.6665626592140196
Energy: -2.5365843816352664
Energy: 0.6665626592073348
Energy: -2.4513075411947245
Energy: -2.3797172903224673
Energy: -2.070101386082061
Energy: -2.280692093887854
Energy: -2.5879277422034335
Energy: 0.6863505097401856
Energy: -2.1469326631969374
Energy: 0.6863505097379574
Energy: -2.5451628334660623
Energy: 0.6699952945975686
Energy: -2.573825902092059
Energy: 0.6699952945931122
Energy: -1.9946691207040992
Energy: 0.658595236744307
Energy: -2.5292921428528286
Energy: 0.6585952367376223
Energy: -2.322516062263478
Energy: 0.6877687456968163
Energy: -2.5390151460623813
Energy: 0.6877687456960735

minimum gb energy = -2.787914551018739 eV
minimum distance =  2.2386151396664 Angstroms
sigma value = 1


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

Energy: -2.004015318648503
Energy: 0.7597414511243291
Energy: 0.2618427661003607
Energy: 0.7597414511234822
Energy: -1.6595894345405817
Energy: 0.6653196921669039
Energy: -1.613300995635667
Energy: 0.6653196921643633
Energy: -1.5814525861344721
Energy: 0.7618168493178195
Energy: -1.9621705558652893
Energy: 0.7618168493178195
Energy: -1.7870637454058818
Energy: 0.7454189313956455
Energy: -1.8780336227610994
Energy: 0.7454189313947988
Energy: -1.6246083971166074
Energy: 0.732827935339453
Energy: -1.8182929507371486
Energy: 0.7328279353386062
Energy: -1.7677135242878956
Energy: 0.733507067906513
Energy: -1.5411874206578482
Energy: 0.733507067912441
Energy: -1.6145205338382886
Energy: -1.9050070505004573
Energy: -1.7559910914941879
Energy: -1.7386854792690842
Energy: 0.22971322036281486
Energy: 0.761784584459312
Energy: -1.6087562007960259
Energy: 0.761784584458465
Energy: -1.6722104061397947
Energy: 0.8343117130488867
Energy: -1.964018090588883
Energy: 0.8343117129837165
Energy: -1.5748045876260297
Energy: 0.7623267092957761
Energy: 0.2564920678977769
Energy: 0.7623267092966229
Energy: -1.560592445304894
Energy: 0.661629497651526
Energy: -1.9176211548260444
Energy: 0.6616294976532198
Energy: -1.6289668366781158
Energy: 0.747313407245469
Energy: -1.7837814860117696
Energy: 0.7473134072420816
Energy: -2.1517783713392564
Energy: 0.736367495323848
Energy: -1.589955984284532
Energy: 0.7363674953213074
Energy: -2.0089888274733747
Energy: 0.7359543317436835
Energy: -1.6591832695560615
Energy: 0.7359543317453773
Energy: -1.5218250093267967
Energy: 0.7475454651498151
Energy: -1.8816226337555966
Energy: 0.7475454651498151
Energy: -1.6023991492188425
Energy: 0.6651108495182534
Energy: -1.8583633851501407
Energy: 0.6651108495224877
Energy: -1.6644892733827987
Energy: 0.7614462960523146
Energy: 0.23690418827005058
Energy: 0.7614462960514679
Energy: -1.5648042151231483
Energy: -1.4873792233169074
Energy: -1.9905865810940337
Energy: -1.7485145832713098
Energy: 0.23253649006928476
Energy: 0.761434734995578
Energy: -1.450928330713907
Energy: 0.7614347349938844
Energy: -1.7022876183600832
Energy: -1.7290192412006613
Energy: -1.9411977437530301
Energy: -1.7670194432215034
Energy: -1.8898391810617041
Energy: 0.7330179949031184
Energy: -1.5601410120904482
Energy: 0.7330179949048122
Energy: -1.678257161467417
Energy: 0.7334772239905761
Energy: -1.6357130889032745
Energy: 0.7334772239897294
Energy: -1.7247814932585102
Energy: 0.7430548837101457
Energy: -1.7838333047504884
Energy: 0.7430548837186145
Energy: -1.4132608836298801
Energy: 0.7615586699282298
Energy: -1.6489790399755995
Energy: 0.7615586699324642
Energy: -1.8209615972085795
Energy: 0.6737451775294842
Energy: -1.5637823183991535
Energy: 0.6737451775294842
Energy: -1.892315873833523
Energy: 0.7597414511243291
Energy: 0.26028862686569154
Energy: 0.7597414511234822
Energy: -1.7788164070500392
Energy: 0.6653196921660571
Energy: -1.5673516086369106
Energy: 0.6653196921626696
Energy: -1.5745330711541536
Energy: 0.7618168493178195
Energy: -1.7820103259602058
Energy: 0.7618168493186664
Energy: -1.5939255623895472
Energy: 0.7454189313947988
Energy: -1.8698629214711144
Energy: 0.7454189313947988

minimum gb energy = -2.1517783713392564 eV
minimum distance =  2.23479856346258 Angstroms
sigma value = 25


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

Energy: -1.4070607614507151
Energy: 0.8192908999947415
Energy: 0.3666294438854864
Energy: 0.819290899993757
Energy: -1.3010166144709363
Energy: 0.6318753975592076
Energy: -1.4139768105377428
Energy: 0.6318749569361365
Energy: -0.9375170198693124
Energy: 0.8610578561105042
Energy: -1.0491778554799522
Energy: 0.8610578561114887
Energy: -0.9137639790347921
Energy: 0.8501152206886821
Energy: -1.0273145251501175
Energy: 0.8501152206876976
Energy: -1.1872089215037747
Energy: 0.8326200870098928
Energy: -1.026068720739065
Energy: 0.8326200870108772
Energy: -1.306685444912547
Energy: 0.862947217320541
Energy: -1.1813101958890864
Energy: 0.862947217320541
Energy: -1.3683981384142556
Energy: -1.0042243374171536
Energy: -1.6128583757032817
Energy: -0.9697011574497599
Energy: -1.5270429896630517
Energy: 0.8208134037400308
Energy: -1.1455302010658217
Energy: 0.8208134037380618
Energy: -1.386336317027875
Energy: 0.7412454474170139
Energy: -1.1836930103290029
Energy: 0.7412454474189828
Energy: -1.001215409810417
Energy: 0.8632772000321933
Energy: -0.927852289572563
Energy: 0.8632772000312088
Energy: -1.2091492363825724
Energy: 0.8388518664082907
Energy: -1.3291241567937009
Energy: 0.8388518664082907
Energy: -1.3094429695904166
Energy: 0.8280352594723065
Energy: -1.0346632954816462
Energy: 0.8280352594723065
Energy: -1.0472723747538213
Energy: 0.8413118544619727
Energy: -1.1406703360636374
Energy: 0.8413118544649261
Energy: -1.3719663447608923
Energy: -1.0867770383083595
Energy: -1.159883039783245
Energy: -1.2030807286843492
Energy: -1.120260837221645
Energy: 0.8262495058099386
Energy: -1.0864567270026573
Energy: 0.8262495058099386
Energy: -1.529536916914025
Energy: -1.1680687628670041
Energy: -1.180949435331767
Energy: -1.2625934265120238
Energy: 0.35113314805052365
Energy: 0.8611041956694533
Energy: 0.3485801601354129
Energy: 0.8611041956694533
Energy: -1.0711237196198888
Energy: 0.7022994432200815
Energy: -0.9312865967159979
Energy: 0.7022994432181127
Energy: -0.7346560907111745
Energy: 0.8393851711913125
Energy: -1.1225463976276013
Energy: 0.8393851711913125
Energy: -1.1388056743676656
Energy: 0.8630428672500887
Energy: -1.0980429519530885
Energy: 0.8630428672491043
Energy: -1.2907328174118997
Energy: 0.8168294335006663
Energy: -1.4302927804735897
Energy: 0.8168294334996818
Energy: -1.2624486698262327
Energy: 0.8194836157781213
Energy: -1.3430436561460515
Energy: 0.8194836157781213
Energy: -1.1816635829576867
Energy: 0.8195171744348589
Energy: -1.4241409919575438
Energy: 0.8195171744368278
Energy: -0.835379249285743
Energy: 0.8607649303354004
Energy: -1.03656058026355
Energy: 0.8607649303354004
Energy: -1.2443991229915778
Energy: -1.0675727167782807
Energy: -1.1415350631314476
Energy: -1.209158209961647

minimum gb energy = -1.6128583757032817 eV
minimum distance =  2.18351585469055 Angstroms
sigma value = 9


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

Energy: -0.44064144520506326
Energy: 0.9518429830614215
Energy: -0.44327503120555206
Energy: 0.9518429830614215
Energy: -0.6121337921127088
Energy: 0.7758812145083565
Energy: -1.3002517817971493
Energy: 0.7758811539741378
Energy: -0.3086304246591124
Energy: 0.9611737135047295
Energy: -0.3051366102415174
Energy: 0.9611737135059039
Energy: -0.672271160167541
Energy: 0.9808982619133175
Energy: -0.4590294870297685
Energy: 0.9808982619109686
Energy: -1.156945240837203
Energy: 0.7471604896577041
Energy: -0.3980765961602256
Energy: 0.7471545107835552
Energy: 0.4885296903683816
Energy: 0.9560854245647515
Energy: -0.5015466842266535
Energy: 0.9560854245647515
Energy: -1.1865991795589845
Energy: -0.3102418715182089
Energy: -0.5257737248510848
Energy: -0.3636270540060266
Energy: -0.46912197916434767
Energy: 0.9548695826926954
Energy: -0.5126462716812736
Energy: 0.9548695826915209
Energy: -0.9046251056696246
Energy: 0.7790070420238148
Energy: -0.3574938802470819
Energy: 0.7790070417021911
Energy: -0.7535479902884306
Energy: 0.9535600132689064
Energy: -0.43908514899039286
Energy: 0.9535600132689064
Energy: -0.7619076390982952
Energy: 0.9275934600396608
Energy: -0.30486507222779347
Energy: 0.9275934600396608
Energy: -0.7318145601324941
Energy: 0.7527306900845553
Energy: -0.5942690396709985
Energy: 0.7527307022247358
Energy: -0.30419535123768804
Energy: 0.9555061946138538
Energy: 0.41418766381999483
Energy: 0.9555061946138538
Energy: -0.814720625781352
Energy: -0.29210549288785664
Energy: -0.4771589936143501
Energy: -0.47156186657460164
Energy: -0.2486257793106946
Energy: 0.9555289157700766
Energy: -0.401625611374538
Energy: 0.9555289157689021
Energy: -1.22302722761112
Energy: 0.7541882171804951
Energy: -0.5614123985221271
Energy: 0.7541882172203979
Energy: -0.35739461701994185
Energy: 0.9269462637048531
Energy: -0.3115790960654137
Energy: 0.9269462637048531
Energy: -0.5693249757202925
Energy: 0.9544735093881695
Energy: -0.5007159089017362
Energy: 0.9544735093893438
Energy: -0.8824062631105245
Energy: 0.751510807941908
Energy: -0.6136263455287144
Energy: 0.7515907577595846
Energy: -0.26696493006644634
Energy: 0.9552534838318865
Energy: -0.534168624991477
Energy: 0.9552534838318865
Energy: -1.1521123743753339
Energy: -0.42636941029690134
Energy: -0.492357815046285
Energy: -0.38587339246976315

minimum gb energy = -1.3002517817971493 eV
minimum distance =  2.19353438670372 Angstroms
sigma value = 25


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

Energy: 0.7757855911007331
Energy: 1.0278726344884026
Energy: 0.5716047990722094
Energy: 1.0278726344869502
Energy: 0.7405584113148278
Energy: 0.9058957352024138
Energy: 0.7077127492996818
Energy: 0.9058957352024138
Energy: 0.5762898954480717
Energy: 1.0994532894942344
Energy: 0.7141222270026889
Energy: 1.0994532894956865
Energy: 0.768039661273994
Energy: 1.0198303247653575
Energy: 0.5926707063441475
Energy: 1.0198303247653575
Energy: 0.5814077713046071
Energy: 0.7416726691000379
Energy: 0.6899925464570358
Energy: 0.7416726691102045
Energy: 0.7113471016939416
Energy: 1.090614551222036
Energy: 0.7182824974219444
Energy: 1.0906145512234882
Energy: 0.7320812225430797
Energy: 0.8771595807823465
Energy: 0.7134734882842149
Energy: 0.877159580785251
Energy: 0.5763383282097324
Energy: 1.0283692194932161
Energy: 0.7775141798654893
Energy: 1.0283692194903113
Energy: 0.7136063803606225
Energy: 0.9047676544042256
Energy: 0.7411948134347471
Energy: 0.9047676544042256
Energy: 0.6621361210845099
Energy: 0.9367247669664082
Energy: 0.7130119496531117
Energy: 0.9367247669678607
Energy: 0.5721975674862549
Energy: 1.0277125999948808
Energy: -0.4706157141537029
Energy: 1.0277125999948808
Energy: 0.7086285696716446
Energy: 0.8360356990877553
Energy: 0.6008312973566453
Energy: 0.8360356990979219
Energy: 0.6274296246205899
Energy: 1.0838530177927088
Energy: 0.7109608398362421
Energy: 1.083853017794161
Energy: 0.7131838387292445
Energy: 0.8821977988234261
Energy: 0.8125003179955296
Energy: 0.8821977988234261
Energy: 0.685916344931376
Energy: 1.0267635856073225
Energy: 0.5833670304756182
Energy: 1.02676358560587
Energy: 0.7440483161189064
Energy: 0.9381313557433681
Energy: 0.7123402160721952
Energy: 0.9381313557433681
Energy: 0.7137431117030556
Energy: 0.7540109334056052
Energy: 0.655036537110876
Energy: 0.7540109334056052

minimum gb energy = -0.4706157141537029 eV
minimum distance =  2.34059378882667 Angstroms
sigma value = 17


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

Energy: 0.8385510036683659
Energy: 1.0336238948765712
Energy: -0.07644632189359028
Energy: 1.0336238948765712
Energy: 0.7323189911772829
Energy: 0.728445172447251
Energy: 0.7226250765329274
Energy: 0.7284451724505411
Energy: 0.6759862637204987
Energy: 1.0559303525740042
Energy: 0.7218318815216163
Energy: 1.0559303525715364
Energy: 0.7203137860429665
Energy: 1.0086550837889297
Energy: 0.6709970640928862
Energy: 1.0086550837510924
Energy: 0.7609518975203068
Energy: 0.9068871274564717
Energy: 0.6959712387877259
Energy: 0.9068871274564717
Energy: 0.7872679593869185
Energy: 1.02608991207809
Energy: 0.5826551206631918
Energy: 1.02608991207809
Energy: 0.7253171240509407
Energy: 0.8270634186168448
Energy: 0.6886887840690666
Energy: 0.827063418614377
Energy: 0.6233928129006614
Energy: 1.101980423754741
Energy: 0.7891422771760837
Energy: 1.1019804237539184
Energy: 0.7531689269321045
Energy: 1.0167271519214096
Energy: 0.6239233257507346
Energy: 1.0167271519222323
Energy: 0.6676594634078786
Energy: 0.9117841525718829
Energy: 0.7207322866046887
Energy: 0.9117841525677702
Energy: 0.7593061834364013
Energy: 1.0139219499801795
Energy: 0.6294024160256262
Energy: 1.0139219499851146
Energy: 0.774958485804283
Energy: 0.8818159292942305
Energy: 0.7871286652665503
Energy: 0.8818159292975207
Energy: 0.6502601908206329
Energy: 1.0128364160998578
Energy: 0.8252186880030777
Energy: 1.0128364161015029
Energy: 0.7590838195711344
Energy: 1.026064640645844
Energy: 0.7279033970226453
Energy: 1.026064640645844
Energy: 0.6981362347616851
Energy: 0.814005101659378
Energy: 0.756852288144767
Energy: 0.8140051016602006
Energy: 0.6428413386141328
Energy: 1.0705596536538673
Energy: 0.6495797654841792
Energy: 1.0705596536489321
Energy: 0.7205989713545501
Energy: 0.8758124088991889
Energy: 0.6951745855904017
Energy: 0.8758124089082368
Energy: 0.5421938866260398
Energy: 1.004392216430812
Energy: 0.7869490019020406
Energy: 1.0043922164316343
Energy: 0.7974671710693176
Energy: 0.9603804740863113
Energy: 0.8233390541447813
Energy: 0.9603804740871339
Energy: 0.7282531615119486
Energy: 1.013062378149032
Energy: 0.7272023111521412
Energy: 1.0130623781539674
Energy: 0.6040057365479014
Energy: 0.9776430986614374
Energy: 0.7209293491269589
Energy: 0.9776430986565022
Energy: 0.7555689700999052
Energy: 0.6382807679175878
Energy: 0.653626277369654
Energy: 0.6382807679175878
Energy: 0.6986361896059686
Energy: 0.9999907041562286
Energy: 0.7628880277167643
Energy: 0.9999907041545835
Energy: 0.811051687692284
Energy: 0.848185940555243
Energy: 0.7058960977952142
Energy: 0.8481859405544204
Energy: 0.814304332648881
Energy: 1.0410573247128927
Energy: 0.6780895076723007
Energy: 1.0410573247046673
Energy: 0.2736146790064491
Energy: 1.0049921823596832
Energy: 0.763208468513846
Energy: 1.0049921823580383
Energy: 0.6900881426938656
Energy: 0.8221844986541373
Energy: 0.6932467741162841
Energy: 0.8221844986927972
Energy: 0.5685193877897439
Energy: 0.9836877511486334
Energy: 0.7217907005363193
Energy: 0.983687751152746
Energy: 0.6928701766117991
Energy: 0.8577822931394773
Energy: 0.724596430873868
Energy: 0.8577822931954107
Energy: 0.7891451186928419
Energy: 0.9810341654043813
Energy: 0.6035462027375862
Energy: 0.9810341654035587

minimum gb energy = -0.07644632189359028 eV
minimum distance =  2.26183091281475 Angstroms
sigma value = 53


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

Energy: 0.8628740034283656
Energy: 0.867658490602929
Energy: 0.29261031504389484
Energy: 0.867658490602929
Energy: 0.8189371156277138
Energy: 0.8090128994624004
Energy: 0.8223724185483363
Energy: 0.8090128994642941
Energy: 0.8244905611361775
Energy: 0.9988755451673227
Energy: 0.8544165972329504
Energy: 0.9988755451616418
Energy: 0.8242134732960775
Energy: 1.0046549188883407
Energy: 0.7366952735045625
Energy: 1.004654918865617
Energy: 0.8190001323773002
Energy: 0.8089925459690164
Energy: 0.8227100987518505
Energy: 0.8089925458762706
Energy: 0.8628740034283656
Energy: 0.8676584906048227
Energy: 0.6391229889912088
Energy: 0.867658490602929
Energy: 0.8189371156182456
Energy: 0.8090128994642941
Energy: 0.7604531337294843
Energy: 0.8090128994642941
Energy: 0.8244905611361775
Energy: 0.9988755451862592
Energy: 0.8544165972310568
Energy: 0.9988755451578545
Energy: 0.8242134732941838
Energy: 1.0046549188883407
Energy: 0.7205120669194732
Energy: 1.0046549188637233
Energy: 0.8189996992113053
Energy: 0.8089925459690164
Energy: 0.7604138775671896
Energy: 0.8089925459652291
Energy: 0.8628740034283656
Energy: 0.867658490602929
Energy: 0.6432257871810491
Energy: 0.867658490602929
Energy: 0.8189371156315011
Energy: 0.8090128994624004
Energy: 0.713799441089262
Energy: 0.8090128994624004
Energy: 0.8244905611380712
Energy: 0.9988755451730037
Energy: 0.8544165972329504
Energy: 0.9988755451692164

minimum gb energy = 0.29261031504389484 eV
minimum distance =  2.29974328212084 Angstroms
sigma value = 9


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

Energy: 0.919603094603635
Energy: 1.0304445996343776
Energy: 0.6044714017888826
Energy: 1.0304445996315739
Energy: 0.6996876765986462
Energy: 0.6959165184469991
Energy: 0.6286194926169114
Energy: 0.6959165184512044
Energy: 0.6421780982044287
Energy: 0.9818069606566241
Energy: 0.6091893034193298
Energy: 0.9818069606222812
Energy: 0.6336962019591053
Energy: 0.8611684525351984
Energy: 0.7489647743891286
Energy: 0.8611684525457113
Energy: 0.6503800906073641
Energy: 0.6892909798521718
Energy: 0.7178067573528116
Energy: 0.6892909798570779
Energy: 0.9065340873414129
Energy: 0.708437823339681
Energy: 0.6024617698364968
Energy: 0.7084378233438863
Energy: 0.6551990191273115
Energy: 0.6600814417281117
Energy: 0.7186037380385293
Energy: 0.6600814418675215
Energy: 0.8002079031020094
Energy: 1.0393144917495691
Energy: 0.6468131274729662
Energy: 1.0393144917509707
Energy: 0.6604329607539251
Energy: 0.8625019707947964
Energy: 0.830545037745533
Energy: 0.8625019715198166
Energy: 0.6625077666117116
Energy: 0.7645022108155358
Energy: 0.7110783277418817
Energy: 0.7645022108162367
Energy: 0.7493185106591228
Energy: 1.0485209261523092
Energy: 0.5613228343840346
Energy: 1.04852092615301
Energy: 0.6351806572982833
Energy: 1.0468456469706144
Energy: 0.7375969737300294
Energy: 1.0468456469713152
Energy: 0.7243434978600048
Energy: 1.0266140128461103
Energy: 0.6599867620991869
Energy: 1.0266140128601278
Energy: 0.6406782304317816
Energy: 1.0501210555101934
Energy: 0.9186236925752603
Energy: 1.0501210555087916
Energy: 0.6887268082341573
Energy: 0.8724039372466662
Energy: 0.6507382756230489
Energy: 0.8723704905936552
Energy: 0.7248459898149352
Energy: 0.8756752168419302
Energy: 0.6272249532588153
Energy: 0.8756752200378424
Energy: 0.6905350348052802
Energy: 0.9101391300960301
Energy: 0.6881879906912415
Energy: 0.9101391300932268
Energy: 0.7508886241341378
Energy: 0.6691167281755539
Energy: 0.6847184137298161
Energy: 0.6691167281685453
Energy: 0.6682213687288726
Energy: 0.8896740814424573
Energy: 0.9070150130005243
Energy: 0.8896740814403549
Energy: 0.6009056071988654
Energy: 0.7944709658511303
Energy: 0.7161173171646612
Energy: 0.7944709658525322
Energy: 0.643682518197909
Energy: 1.0296963012789917
Energy: 0.6401747407598791
Energy: 1.0296963012817952
Energy: 0.7457403927238817
Energy: 0.7922627461647082
Energy: 0.6624579451054455
Energy: 0.7922627461289635
Energy: 0.8272049328801844
Energy: 0.893293967864285
Energy: 0.6603474194388526
Energy: 0.8932939679966863
Energy: 0.07030385952366638
Energy: 1.052466804042094
Energy: 0.8257222605766597
Energy: 1.0524668040427947
Energy: 0.7314161391769873
Energy: 0.7486264351940137
Energy: 0.6809659307377884
Energy: 0.7486264351933128
Energy: 0.6780304552452862
Energy: 0.9343078942573313
Energy: 0.7077089434643092
Energy: 0.9343078935623848
Energy: 0.7167556108873523
Energy: 0.908205699991682
Energy: 0.63223357583327
Energy: 0.9082056999951863
Energy: 0.9049439683325284
Energy: 0.8554097071049724
Energy: 0.634067573619557
Energy: 0.8554097069767767
Energy: 0.6594458770814189
Energy: 0.9847741522487955
Energy: 0.7130276062929718
Energy: 0.984774152258544
Energy: 0.7274275087588027
Energy: 0.7318124870653296
Energy: 0.7233888817476167
Energy: 0.7318124652912129
Energy: 0.6841303059482677
Energy: 1.0466104967462886
Energy: 0.8259089739824684
Energy: 1.0466104967539982
Energy: 0.6988137689377943
Energy: 0.6703195903250486
Energy: 0.6602496173320155
Energy: 0.6703195903271512
Energy: 0.6588076263302071
Energy: 0.793784427973252
Energy: 0.6547117300106011
Energy: 0.793784427973953
Energy: 0.6395960236810174
Energy: 1.0340428226745197
Energy: 0.633417664166306
Energy: 1.0340428227915015
Energy: 0.6527663431198024
Energy: 0.7154552902156569
Energy: 0.6829014884237679
Energy: 0.7154552902177594

minimum gb energy = 0.07030385952366638 eV
minimum distance =  2.29658481746985 Angstroms
sigma value = 73


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

Energy: 0.9384034975182701
Energy: 0.8845546619529525
Energy: 0.4483340555113115
Energy: 0.8845547003218341
Energy: 0.8237170289037538
Energy: 0.7799461910446195
Energy: 0.8445452590737876
Energy: 0.7799461910412835
Energy: 0.7512192174272221
Energy: 0.9202776131535046
Energy: 0.8050896093880922
Energy: 0.9202776131323769
Energy: 0.7155799300277644
Energy: 0.8720920668095072
Energy: 0.8138726117246446
Energy: 0.8720920668128431
Energy: 0.6420906978992352
Energy: 0.7786916616632134
Energy: 0.6801427745817292
Energy: 0.7786916616632134
Energy: 0.8423679077749894
Energy: 0.9181887270847684
Energy: 0.49120494145254995
Energy: 0.9181887265679203
Energy: 0.724036409127105
Energy: 0.6627910024089154
Energy: 0.7770619566508701
Energy: 0.6627910024078034
Energy: 0.803839482124834
Energy: 0.9240834821002942
Energy: 0.5944969144390928
Energy: 0.9240834823214793
Energy: 0.6932131723946675
Energy: 0.7112548656501986
Energy: 0.9199358808948872
Energy: 0.7112548656501986
Energy: 0.7361149304393284
Energy: 0.7447313552857765
Energy: 0.7489925607674516
Energy: 0.7447313552924231
Energy: 0.7629883511320357
Energy: 0.8656817678872707
Energy: 0.6373712398289874
Energy: 0.8656817679450689
Energy: 0.7346899764327534
Energy: 0.8662452983841202
Energy: 0.7077517101531645
Energy: 0.8662452982518692
Energy: 0.8444062423677936
Energy: 0.6929586877528611
Energy: 0.6332393679837749
Energy: 0.6929586877517491
Energy: 0.049955886673446526
Energy: 1.0303408250294075
Energy: 0.8425302612062849
Energy: 1.0303408247859827
Energy: 0.7824209712987604
Energy: 0.8051191701641695
Energy: 0.7402955975360265
Energy: 0.8051191701630575
Energy: 0.6216143783555013
Energy: 0.9283139157137836
Energy: 0.8039204287861809
Energy: 0.9283139157315755
Energy: 0.8193267106149188
Energy: 0.9229867888129278
Energy: 0.7520434552321497
Energy: 0.9229867890485687
Energy: 0.9318204499241903
Energy: 0.862592763677042
Energy: 0.7487446916211451
Energy: 0.8625927639882729
Energy: 0.6375107471552912
Energy: 0.8629553726341876
Energy: 0.8041550256569155
Energy: 0.8629553727220097
Energy: 0.8232523934003741
Energy: 0.9341917361763946
Energy: 0.7790133737948401
Energy: 0.9341917361419482
Energy: 0.6338616549288125
Energy: 0.9385852947218477
Energy: 0.8416509380050787
Energy: 0.9385852947218477
Energy: 0.8147721522341986
Energy: 0.7553354709830667
Energy: 0.6817931213077083
Energy: 0.7553354709808427

minimum gb energy = 0.049955886673446526 eV
minimum distance =  2.26754747372261 Angstroms
sigma value = 7


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

Energy: 0.9359733177210324
Energy: 0.6061486348217215
Energy: -0.04381139175893457
Energy: 0.6061486348248666
Energy: 0.3923054446870993
Energy: 0.6956689854125968
Energy: 0.7498704917437663
Energy: 0.6956689856468058
Energy: 0.7231763550945934
Energy: 0.8046378216698414
Energy: 0.6607242632565877
Energy: 0.804637821671414
Energy: 0.17092358749618833
Energy: 0.6534294184360735
Energy: 0.8578715356954508
Energy: 0.6534294184352872
Energy: 0.7228565325907749
Energy: 0.640994292843633
Energy: 0.7435769341450643
Energy: 0.640994292843633
Energy: 0.8260534927195805
Energy: 0.8523996615127473
Energy: 0.1703267287395822
Energy: 0.8523996615119609
Energy: 0.6269764364495308
Energy: 0.9766437966450316
Energy: 0.6572586992788257
Energy: 0.9766438005048163
Energy: 0.825808934258263
Energy: 0.6339636424695907
Energy: 0.281338372350969
Energy: 0.6339636424774536
Energy: 0.7098767299193091
Energy: 0.8372640285336049
Energy: 0.842734573145945
Energy: 0.8372640285210242
Energy: 0.720735506290632
Energy: 0.6846037983538646
Energy: 0.6555752323635938
Energy: 0.6846037983515058
Energy: 0.605011112359607
Energy: 0.6458766766053347
Energy: 0.655216133259612
Energy: 0.6458766092496745
Energy: 0.6144047658757794
Energy: 0.8019794996391562
Energy: 0.3616406519663078
Energy: 0.8019794996297206
Energy: 0.7922359988197429
Energy: 0.8671642263996328
Energy: 0.3268708843308137
Energy: 0.8671642265945626
Energy: 0.6230356512692387
Energy: 0.9932852521684056
Energy: 0.6390919811669775
Energy: 0.993285252161329
Energy: 0.6226878873390167
Energy: 0.6808181761780648
Energy: 0.747854505627664
Energy: 0.6808181761615527
Energy: -0.07085462692883568
Energy: 0.9213979150363469
Energy: 0.8418098190710424
Energy: 0.9213979150379195
Energy: 0.6230286028832326
Energy: 0.6578324425118692
Energy: 0.6688022369228334
Energy: 0.657832442511083
Energy: 0.6570795589200029
Energy: 0.7802087044865238
Energy: 0.3552998434877308
Energy: 0.780208704484165
Energy: 0.8223135745601531
Energy: 0.8505223370930745
Energy: 0.35662470645014505
Energy: 0.8505223370616225
Energy: 0.7212058858281942
Energy: 0.6532528632796609
Energy: 0.41815194459446553
Energy: 0.6532528632812334
Energy: 0.14164603455285216
Energy: 0.8994915596168469
Energy: 0.84273591646298
Energy: 0.8994915594423964
Energy: 0.7206251504614102
Energy: 0.8138696210150117
Energy: 0.4213010753990338
Energy: 0.8138696120662117
Energy: 0.6492045134224818
Energy: 0.8367186775277766
Energy: 0.672318934495702
Energy: 0.8367186775277766
Energy: 0.9370396029192958
Energy: 0.6194747813755271
Energy: 0.03413221357783967
Energy: 0.6194747813731682
Energy: 0.787175105317619
Energy: 0.7384103632064476
Energy: 0.7278779818214918
Energy: 0.7384103632080202
Energy: 0.6277478627107149
Energy: 0.6462448164849842
Energy: 0.6628816642321662
Energy: 0.6462448178525318
Energy: 0.7233108372534842
Energy: 0.799675350779775
Energy: 0.6315521046142433
Energy: 0.7996753507805615
Energy: -0.03611703551724346
Energy: 0.6517535097489535
Energy: 0.8575347420738704
Energy: 0.651753509745022
Energy: 0.825387123960251
Energy: 1.012285894014329
Energy: 0.11317596515929092
Energy: 1.0122858940449946
Energy: 0.8323785840078956
Energy: 1.1670693976483109
Energy: 0.8438153921994543
Energy: 1.1670693976483109
Energy: 0.825434794436456
Energy: 1.0093616185887406
Energy: 0.036446368541916706
Energy: 1.0093616185879544

minimum gb energy = -0.07085462692883568 eV
minimum distance =  2.24169147336263 Angstroms
sigma value = 29


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

Energy: 0.6929634451567424
Energy: 0.8647463872968694
Energy: 0.6304792414735477
Energy: 0.8647463872971433
Energy: 0.6304246846077959
Energy: 0.7075743333823322
Energy: 0.8316608547058546
Energy: 0.7075742378938662
Energy: 0.7743938301899542
Energy: 0.8373572939125222
Energy: 0.6313515502606664
Energy: 0.8373572939119744
Energy: 0.8329160817343033
Energy: 1.0999795867077058
Energy: 0.833779275522672
Energy: 1.0999795867074318
Energy: 0.8332988197829073
Energy: 0.7867480726235961
Energy: 0.6171220077905935
Energy: 0.7867480726238396
Energy: 0.5827307236982123
Energy: 0.9798534230282993
Energy: 0.582151196168722
Energy: 0.9798534230288166
Energy: 0.7751180893396525
Energy: 0.7867547875339497
Energy: 0.8331107786361649
Energy: 0.786754787534467
Energy: 0.8301387787217238
Energy: 1.0994213030726618
Energy: 0.8297584217749677
Energy: 1.0994213030726618
Energy: 0.6312194551740105
Energy: 0.8373797610150288
Energy: 0.5866603193728093
Energy: 0.8373797610056556

minimum gb energy = 0.582151196168722 eV
minimum distance =  2.32976322235518 Angstroms
sigma value = 5


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

Energy: 0.5899704245265427
Energy: 0.515353452909181
Energy: 0.16497924489904162
Energy: 0.5153534528935831
Energy: 0.5434618207952123
Energy: 0.9548483462716487
Energy: 0.5059908475709828
Energy: 0.9548483463629734
Energy: 0.5607652140102896
Energy: 0.4530709962761239
Energy: 0.6466865023278938
Energy: 0.4530709962783522
Energy: 0.1589885503465179
Energy: 0.7853859041679822
Energy: 0.554694627584421
Energy: 0.7853859043157222
Energy: 0.5757101322175849
Energy: 0.7359809049811659
Energy: 0.7290103573484652
Energy: 0.735980904987108
Energy: 0.16099463956154472
Energy: 0.5338422417974489
Energy: 0.4820669445460008
Energy: 0.53384224180042
Energy: 0.5520996492169269
Energy: 0.5993471350185215
Energy: 0.28669696681351897
Energy: 0.5993471350222354
Energy: 0.5436329819509279
Energy: 0.8672155077978114
Energy: 0.5306473181818071
Energy: 0.867215507848251
Energy: 0.6028632065397004
Energy: 0.7404931262327643
Energy: 0.5093543877445657
Energy: 0.74049312624242
Energy: 0.5519904086023604
Energy: 0.6025524865402806
Energy: 0.13714811246457556
Energy: 0.6025524865387951
Energy: -0.29570623293378606
Energy: 0.7274861820397208
Energy: 0.5595007594486291
Energy: 0.7274866810590893
Energy: 0.5523079476840047
Energy: 0.9089019321675509
Energy: 0.5433056844684073
Energy: 0.9089019321660654
Energy: 0.20267177550178508
Energy: 0.5225350472497685
Energy: 0.6686892780158719
Energy: 0.5225350472467976
Energy: 0.5664775084088368
Energy: 0.6814186031401328
Energy: 0.7842656147759839
Energy: 0.6814186128391146
Energy: 0.5617796205013005
Energy: 0.7552015146537279
Energy: 0.5590544489371093
Energy: 0.755201516768881
Energy: 0.5290524247441584
Energy: 0.41768776218174064
Energy: 0.05791898889439392
Energy: 0.4176877621765414
Energy: 0.49086032032810134
Energy: 0.7540700908225976
Energy: 0.5031177617272283
Energy: 0.7540700907119277
Energy: 0.5807919732115259
Energy: 0.5184601259062567
Energy: 0.09146630624703232
Energy: 0.5184601259018001
Energy: 0.3979840223078303
Energy: 0.5613141765452151
Energy: 0.5219182552579303
Energy: 0.5613141765437296
Energy: 0.545001944502411
Energy: 0.7715067100263194
Energy: 0.4398846032835673
Energy: 0.7715066603360533
Energy: 0.5088483748340558
Energy: 0.545629410233364
Energy: 0.5513647391583631
Energy: 0.5455245599114811
Energy: 0.6015246883059421
Energy: 0.5615487508593426
Energy: 0.569371526116619
Energy: 0.5615487508630566
Energy: 0.5317991740186252
Energy: 0.6974347138860665
Energy: 0.5092882427375288
Energy: 0.6974347138868093
Energy: 0.5351311098148753
Energy: 0.8835468941338392
Energy: 0.5460661529190077
Energy: 0.883546819628859
Energy: 0.6060663313743513
Energy: 0.5644728371904935
Energy: 0.5644885481471494
Energy: 0.5644728371942072
Energy: 0.612378618777188
Energy: 0.6987414682807375
Energy: 0.5751329224886488
Energy: 0.6987414682747954
Energy: 0.5227853723991409
Energy: 0.7723428791028919
Energy: 0.5320086346706598
Energy: 0.7723428790820949
Energy: 0.02327821125201208
Energy: 0.9399665106768519
Energy: 0.5291908997684376
Energy: 0.9399665258809041
Energy: 0.5493038102372038
Energy: 0.9444257598015166
Energy: 0.6876423749592121
Energy: 0.9444257597970602
Energy: 0.2825696611225082
Energy: 0.8708733911559612
Energy: 0.5642482110464244
Energy: 0.870873391159675
Energy: 0.5239991466048306
Energy: 0.5137918460359151
Energy: 0.3017813120479684
Energy: 0.5137918460403715
Energy: 0.6237708692736295
Energy: 0.8705637526782315
Energy: 0.5527388441809226
Energy: 0.8705637526774888
Energy: 0.527287546264904
Energy: 0.972328606292387
Energy: 0.1895664813929101
Energy: 0.9723286062842167

minimum gb energy = -0.29570623293378606 eV
minimum distance =  2.18639731566126 Angstroms
sigma value = 1


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

Energy: 0.640950976736347
Energy: 0.5262316425202556
Energy: 0.3994179116010298
Energy: 0.5262316433147621
Energy: 0.6489978516683553
Energy: 1.1160269788843211
Energy: 0.5097789811204729
Energy: 1.1160269788884292
Energy: 0.4343528855093308
Energy: 0.5234735404283585
Energy: 0.48700259456307843
Energy: 0.5234735404334935
Energy: 0.46196363586208167
Energy: 0.7298500619966717
Energy: 0.538607453224388
Energy: 0.7298500620018065
Energy: 0.37109282714742975
Energy: 0.9129358203303353
Energy: 0.7613322728674322
Energy: 0.9129358203323892
Energy: 0.427514814030126
Energy: 1.0527976444829186
Energy: 0.5375589997823443
Energy: 1.0527976444859997
Energy: 0.41931564827859524
Energy: 0.6448101996102866
Energy: 0.459667615109873
Energy: 0.6448101996082326
Energy: 0.41279453878896794
Energy: 0.8561489718138959
Energy: 0.48320593702658515
Energy: 0.8561489718128689
Energy: 0.5114634511311805
Energy: 0.8329599943042441
Energy: 0.47231325871793545
Energy: 0.8329599943966252
Energy: 0.510290482456078
Energy: 0.8646902882772888
Energy: 0.48420585376728736
Energy: 0.8646902882752349
Energy: 0.41049492172239466
Energy: 0.8491371636729034
Energy: 0.44832496472192157
Energy: 0.8491371636544179
Energy: 0.4197056232517682
Energy: 0.5907023706577543
Energy: 0.45814717907022884
Energy: 0.5907023706546733
Energy: 0.43069066072752754
Energy: 0.8011875818423703
Energy: 0.5382467284018067
Energy: 0.8011866627745966
Energy: 0.41878205719454753
Energy: 0.9054560997028117
Energy: 0.5981294599484733
Energy: 0.9054560997017848
Energy: 0.4656027854240923
Energy: 0.7248142576880046
Energy: 0.5393650187851524
Energy: 0.7248142576818427
Energy: 0.43960951527755104
Energy: 0.5233887949400778
Energy: 0.5770997361762109
Energy: 0.5233887949421319
Energy: 0.6476741689748515
Energy: 1.1113726718812333
Energy: 0.5089880977051412
Energy: 1.1113726718740446
Energy: 0.6409509887641133
Energy: 0.5262316445538099
Energy: 0.3060431585094772
Energy: 0.5262316449459282
Energy: 0.6489978515852168
Energy: 1.1160269788863753
Energy: 0.5097789811245808
Energy: 1.1160269788884292
Energy: 0.4343528855072769
Energy: 0.5234735404365745
Energy: 0.4859273685792693
Energy: 0.5234735404324664
Energy: 0.4619636358692706
Energy: 0.729850061978186
Energy: 0.5386074532254149
Energy: 0.7298500619864019
Energy: 0.3710928271422949
Energy: 0.9129358203313623
Energy: 0.7613322728571624
Energy: 0.9129358203323892
Energy: 0.42751481402601804
Energy: 1.052797644478811
Energy: 0.5375589997782365
Energy: 1.0527976444777838
Energy: 0.4193156483011888
Energy: 0.6448101996123407
Energy: 0.45966761511192694
Energy: 0.6448101996092597

minimum gb energy = 0.3060431585094772 eV
minimum distance =  2.28015403987851 Angstroms
sigma value = 17


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

Energy: 0.5442172503037395
Energy: 0.20722727307859162
Energy: -0.24257674633128015
Energy: 0.20722727448330117
Energy: 0.21120791446977702
Energy: 0.2766716135933503
Energy: 0.1753215302610873
Energy: 0.25318056841634384
Energy: 0.19170908378524076
Energy: 0.06523556226082595
Energy: 0.17181171139256748
Energy: 0.0652355198133585
Energy: -0.14214226334853816
Energy: 0.7423792643186394
Energy: 0.02929911397534624
Energy: 0.742379264291345
Energy: -0.014071334543866559
Energy: 0.687188674714689
Energy: 0.32158873019046663
Energy: 0.6871886646380347
Energy: -0.16900982855607574
Energy: 0.867586498276162
Energy: 0.5970104911455427
Energy: 0.8675864982583888
Energy: 0.10756525508200052
Energy: 0.3016894355650287
Energy: 0.403193728028771
Energy: 0.3681271858382938
Energy: -0.03612132068299582
Energy: 0.40435158564439433
Energy: 0.006928620878663327
Energy: 0.40435157070322003
Energy: 0.044244293272260156
Energy: 0.5259930389316861
Energy: -0.5785123915140391
Energy: 0.5259930400908615
Energy: 0.043991197889942664
Energy: 0.7525494619668789
Energy: 0.11817583119714659
Energy: 0.7525493136375636
Energy: 0.0945550980364036
Energy: 0.8511965407734721
Energy: -0.01780889260408005
Energy: 0.8511965407785502
Energy: 0.12570249584092216
Energy: 0.2053230245006633
Energy: -0.018910804561563032
Energy: 0.20534096990379225
Energy: -0.16717654729758602
Energy: 0.7444917245242149
Energy: 0.08332371148106568
Energy: 0.7444917293512843
Energy: -0.06657716638402587
Energy: 0.6306617362201511
Energy: 0.19106606448835237
Energy: 0.630697122550345
Energy: -0.13356530528861432
Energy: 0.8412390731045292
Energy: 0.23224675129650124
Energy: 0.8412390726844954
Energy: 0.14276889057801978
Energy: 0.22788899993698386
Energy: 0.35512836694147076
Energy: 0.2278831208328457
Energy: 0.037655227093363386
Energy: 0.5534172503821841
Energy: 0.15584428670615022
Energy: 0.5534172503663154
Energy: 0.1749123584927201
Energy: 0.23909708171966976
Energy: -0.1469190021607114
Energy: 0.239097081721574
Energy: 0.32036532835481485
Energy: 1.070841194778516
Energy: 0.1517363225397127
Energy: 1.070841194781055
Energy: 0.40974134561059433
Energy: 0.05247989759630701
Energy: -0.2766009441820836
Energy: 0.05247989778096257
Energy: 0.31027203986393775
Energy: 0.7896786822014102
Energy: 0.17097286693282662
Energy: 0.7896786823327464
Energy: 0.1298636818799112
Energy: 0.9328182634619825
Energy: 0.2475542174717163
Energy: 0.9328182634569046
Energy: -0.034241873509468126
Energy: 0.7553144563073008
Energy: 0.16359529459615127
Energy: 0.7553144561265115
Energy: 0.14642210036726985
Energy: 0.769503028440044
Energy: 0.31290836419381024
Energy: 0.7695030280898332
Energy: -0.21691696476523092
Energy: 0.2436362119920102
Energy: 0.0717797265057117
Energy: 0.24363623392441738
Energy: 0.09623708636223785
Energy: 0.3154968677878392
Energy: 0.0070618029479159235
Energy: 0.31549686781380637
Energy: 0.14404312547541043
Energy: 0.2092554689993445
Energy: 0.10708473925633077
Energy: 0.2092468720150757
Energy: 0.17294766698551217
Energy: 0.832077290440254
Energy: -0.03169125018991931
Energy: 0.8320772904123249
Energy: 0.17878115537983066
Energy: 0.6466249612459594
Energy: -0.03282766674847926
Energy: 0.6466249639837087
Energy: 0.11001644456190032
Energy: 0.8535526750524898
Energy: -0.09324582026667186
Energy: 0.8535526750474118
Energy: 0.0047503234393565215
Energy: 0.28472905539818283
Energy: 0.1378196459370648
Energy: 0.2847265674824393
Energy: -0.04035749900170954
Energy: 0.8445303443119415
Energy: 0.10631761745446944
Energy: 0.8445303445974076
Energy: 0.06732862656633196
Energy: 0.7698825980916109
Energy: 0.18639277597214837
Energy: 0.7698825981442954
Energy: -0.08853302012380822
Energy: 0.6420995300220548
Energy: 0.15895281190111984
Energy: 0.6420994629488632
Energy: -0.02005881422756896
Energy: 0.17835492840385148
Energy: 0.023937796079574712
Energy: 0.17835492842416356
Energy: 0.04679627649263143
Energy: 0.801492024835611
Energy: 0.1694021353086019
Energy: 0.8014920248451324
Energy: 0.25801447115683357
Energy: 0.8091099848173994
Energy: -0.17295086556909153
Energy: 0.8091099550409968
Energy: 0.33227905473423236
Energy: 0.8808328586543718
Energy: 0.13271414087574443
Energy: 0.8808328583752533

minimum gb energy = -0.5785123915140391 eV
minimum distance =  2.19487703463341 Angstroms
sigma value = 89


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

Energy: 0.5844843858432249
Energy: 0.7410917503541294
Energy: 0.06148625482137091
Energy: 0.7410917503541294
Energy: 0.6236560384358768
Energy: 0.4525985026083968
Energy: 0.3339592287567712
Energy: 0.452598502606736
Energy: 0.4476570050516262
Energy: 0.9416741813508259
Energy: 0.5119468143649013
Energy: 0.9416741813524867
Energy: 0.1555296851538569
Energy: 0.5719558793610723
Energy: 0.44467733194359055
Energy: 0.5719558793627331
Energy: 0.39854963186215436
Energy: 0.900860874231939
Energy: 0.36605002581869317
Energy: 0.900860874231939
Energy: 0.3942322824208391
Energy: 0.41087436630679774
Energy: 0.39112882668344373
Energy: 0.4108743662951719
Energy: 0.32453327209326777
Energy: 0.5877751878114501
Energy: 0.3793648701856326
Energy: 0.5877751878114501
Energy: 0.05002980254445698
Energy: 0.5855807618595884
Energy: 0.47981042979885324
Energy: 0.585580761851322
Energy: 0.46589089581681536
Energy: 0.7136531325961585
Energy: 0.2774050399388488
Energy: 0.7136531325330844
Energy: 0.5242139775094908
Energy: 0.39492815273178244
Energy: 0.3944952964298345
Energy: 0.3949263441518816
Energy: 0.6862478705769456
Energy: 0.7673493022207983
Energy: 0.3524475525789267
Energy: 0.76734930222412
Energy: 0.6295112118479255
Energy: 0.6124924145818116
Energy: 0.33399901522692926
Energy: 0.6124924145834724
Energy: 0.42154938639348677
Energy: 0.41257076253869934
Energy: 0.04996140786856648
Energy: 0.41257076287071687
Energy: 0.4063471709254036
Energy: 0.480493162664353
Energy: 0.4253033714774941
Energy: 0.480493162664353
Energy: 0.14403535113330831
Energy: 0.883679433000661
Energy: 0.4814460450151115
Energy: 0.883679433000661

minimum gb energy = 0.04996140786856648 eV
minimum distance =  2.18460397368691 Angstroms
sigma value = 13


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

Energy: 0.4616642452992737
Energy: 0.8232102175564674
Energy: -0.4655166763731264
Energy: 0.8232102175515946
Energy: 0.05170380831799522
Energy: 0.849736951440815
Energy: -0.22756088783611603
Energy: 0.8497369514366382
Energy: 0.42687148475473286
Energy: 0.8392125071326185
Energy: -0.33257903380506015
Energy: 0.8392125071416681
Energy: -0.3286384702321609
Energy: 0.8593657502480154
Energy: -0.4711297164049833
Energy: 0.8593657503628118
Energy: -0.14300418249830366
Energy: 0.451839406973667
Energy: -0.04060264985779847
Energy: 0.45159866183069886
Energy: -0.4569374934922092
Energy: 0.6627865159637907
Energy: -0.23121372932085074
Energy: 0.6627865160778912
Energy: -0.3026471337235064
Energy: 0.9692827778273579
Energy: 0.039507044848003034
Energy: 0.9692827778190045
Energy: -0.4692569351975382
Energy: 0.8498356171541204
Energy: -0.2299443979910375
Energy: 0.8498356171555127
Energy: -0.286316888509685
Energy: 0.8247347753658278
Energy: -0.11962863093856048
Energy: 0.8247347758508339
Energy: -0.2888237892388234
Energy: 0.6784141534678336
Energy: -0.17709129224329911
Energy: 0.6784140522182223
Energy: -0.12632022454174202
Energy: 0.6493517600561355
Energy: -0.4024486981595511
Energy: 0.649351760070754
Energy: 0.11825357505236349
Energy: 0.6644892968337262
Energy: -0.09143298613154355
Energy: 0.6644892614120913
Energy: 0.26133684980286254
Energy: 0.8412676520160228
Energy: -0.3925319875135827
Energy: 0.841267652018111
Energy: 0.12333007151651225
Energy: 0.7003934889454672
Energy: -0.4935158023292955
Energy: 0.700393488932241
Energy: -0.3190746784359608
Energy: 0.8138355576476541
Energy: -0.539750567701343
Energy: 0.813835557642085
Energy: -0.35670716386796214
Energy: 0.68224594783483
Energy: -0.3658602377539693
Energy: 0.6822459478431833
Energy: -0.13802009318647224
Energy: 0.9575120400793969
Energy: -0.33813129654576585
Energy: 0.9575120400793969
Energy: -0.4015000096801771
Energy: 0.8407898792724536
Energy: -0.23848823481743944
Energy: 0.8407898792731497
Energy: -0.16704895440514814
Energy: 0.8224558981769838
Energy: -0.2490170283383825
Energy: 0.8224558981790722
Energy: -0.14261396043174812
Energy: 0.8195716531561953
Energy: -0.25301291874083837
Energy: 0.8195716531659408
Energy: -0.4005117449601014
Energy: 0.8534260700780175
Energy: -0.2486880413784067
Energy: 0.8534260700780175
Energy: -0.14339951684922192
Energy: 0.9472880262764456
Energy: -0.4012508452443464
Energy: 0.9472880262764456
Energy: -0.347035103204488
Energy: 0.6842448217185364
Energy: -0.3922789018447843
Energy: 0.6842448223259961
Energy: -0.29520721936357497
Energy: 0.7779447552529488
Energy: -0.45978358722692236
Energy: 0.7779447552515566
Energy: 0.24072137644564492
Energy: 0.7026450826429367
Energy: -0.47420715813579495
Energy: 0.7026450832817219
Energy: 0.23099452855590444
Energy: 0.8435971965160864
Energy: -0.45023525369591116
Energy: 0.8435971966566393
Energy: 0.04904223750426626
Energy: 0.6209748945246084
Energy: -0.4977302317814523
Energy: 0.6209748945941572
Energy: -0.32042095254178943
Energy: 0.6671098750530091
Energy: -0.46112618300777264
Energy: 0.6671098750606663
Energy: -0.26219466260188845
Energy: 0.6553505498325594
Energy: -0.2519824249634551
Energy: 0.6553490919015156
Energy: -0.12849289301992584
Energy: 0.826107105584159
Energy: 0.298062907174216
Energy: 0.8261071056252302
Energy: -0.3842493196454669
Energy: 0.8393739179174587
Energy: -0.24857164580158872
Energy: 0.8393739179661239
Energy: -0.2855594867460929
Energy: 0.9750647298283788
Energy: 0.1623965547736816
Energy: 0.9750647299619707
Energy: -0.42545260822079745
Energy: 0.7262790956029841
Energy: -0.1995244759512423
Energy: 0.7262790955946308
Energy: -0.3026105653439518
Energy: 0.4318702579848247
Energy: 0.2992093061159566
Energy: 0.43187026129481315
Energy: -0.3261390432628039
Energy: 0.8686226368954919
Energy: -0.20004040093147077
Energy: 0.868622636896188

minimum gb energy = -0.539750567701343 eV
minimum distance =  2.19942966677886 Angstroms
sigma value = 37


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

Energy: 0.37921941449294394
Energy: 0.36606640097088555
Energy: 0.06228187892687274
Energy: 0.36606640097088555
Energy: 0.4986977797308845
Energy: 0.713740536695794
Energy: -0.07471002749646766
Energy: 0.7137405366993869
Energy: 0.36114976150261546
Energy: 0.9743214409191514
Energy: 0.06908466984418532
Energy: 0.9743214409179538
Energy: -0.0002002150904597053
Energy: 0.7044614003320423
Energy: -0.07570999454925384
Energy: 0.7044613911034372
Energy: 0.17417636935823588
Energy: 0.7242661359830818
Energy: 0.07845083506818099
Energy: 0.7242661359842795
Energy: -0.1699272428190268
Energy: 0.7135682073745149
Energy: 0.3258524797442995
Energy: 0.7135682073673288
Energy: 0.23022145563779536
Energy: 1.0693109156443306
Energy: 0.5444407714776976
Energy: 1.0693109156443306
Energy: 0.09047391181354622
Energy: 0.3736973291175222
Energy: 0.38127932797698616
Energy: 0.3736973291187198
Energy: 0.18657251727625568
Energy: 0.7146541502975248
Energy: 0.49660081884258384
Energy: 0.7146541503023154
Energy: 0.0350473521829801
Energy: 0.7117128622782286
Energy: 0.3332695556780794
Energy: 0.7117128622566709
Energy: 0.23056396014169672
Energy: 1.0706776654909584
Energy: 0.10840426270140713
Energy: 1.0706776654909584
Energy: 0.3500026385973429
Energy: 0.7207144471022028
Energy: -0.05395872412498244
Energy: 0.7207144471034006
Energy: 0.08175689970174164
Energy: 0.6907064500212124
Energy: -0.14797794354733584
Energy: 0.6907064500236078
Energy: 0.48864214455987304
Energy: 1.07771971831037
Energy: 0.16891954126336914
Energy: 1.0777197183091722
Energy: 0.3878834674038588
Energy: 0.4185270154962857
Energy: 0.10725689581152885
Energy: 0.4185270154962857
Energy: 0.294051607564582
Energy: 0.6615080788773764
Energy: -0.05293616705736883
Energy: 0.6615080788821669
Energy: 0.10970937252278001
Energy: 0.7289564902241101
Energy: -0.30807753391711035
Energy: 0.7289564902528539
Energy: 0.10758338440420807
Energy: 1.0731845779916307
Energy: 0.13970060727697342
Energy: 1.0731845779916307
Energy: 0.1925254904772085
Energy: 0.3556063617748801
Energy: 0.0879459094770543
Energy: 0.3556063617748801
Energy: 0.09289396218581784
Energy: 0.6466788529453384
Energy: 0.1072433074022333
Energy: 0.6466788529429432

minimum gb energy = -0.30807753391711035 eV
minimum distance =  2.26343663851512 Angstroms
sigma value = 25


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

Energy: 0.29283319100998395
Energy: 0.7465688058257223
Energy: -0.49213140664422267
Energy: 0.7465688058275928
Energy: 0.13521060042727337
Energy: 0.7454473754239799
Energy: 0.22809663177772177
Energy: 0.7454473754211742
Energy: 0.24766875387935844
Energy: 0.023484257964837177
Energy: -0.4583245809242216
Energy: 0.023484257962966763
Energy: -0.15882421102791938
Energy: 0.7789968066880806
Energy: 0.2265090074458775
Energy: 0.7789968066862101
Energy: 0.20823759200350653
Energy: 0.8076002645916472
Energy: -0.27255425224452523
Energy: 0.8076002645897769
Energy: -0.5477806383466856
Energy: 0.7982342420493685
Energy: 0.22786060465139704
Energy: 0.798234242051239
Energy: 0.21852524634596796
Energy: 0.5539648202597577
Energy: -0.20078915103753317
Energy: 0.5539648421684915
Energy: -0.6798129829524555
Energy: 0.5835561706403927
Energy: 0.24911503398589274
Energy: 0.583556170637587
Energy: 0.20703465014569675
Energy: 0.7871329416336735
Energy: 0.07330137745323537
Energy: 0.7871329416383496
Energy: -0.5746996341677532
Energy: 0.7760835767030531
Energy: 0.29569933388231645
Energy: 0.7760835767021178
Energy: 0.21202557752320028
Energy: 0.5404383562760849
Energy: 0.08057431575144106
Energy: 0.5404383562882427
Energy: -0.5142820077033242
Energy: 0.8317248543288052
Energy: 0.24791075247845956
Energy: 0.8317248543306756
Energy: 0.20865865547486767
Energy: 0.7827618336702648
Energy: -0.16985382672931262
Energy: 0.7827618336721351
Energy: -0.24397931788504842
Energy: 0.7898839030945591
Energy: 0.22748021889136535
Energy: 0.7898839030936239
Energy: 0.22494644235889205
Energy: 0.5363171117119225
Energy: -0.5450935309230586
Energy: 0.5363171117044411
Energy: 0.2290831350360851
Energy: 0.8102088994051401
Energy: 0.21495038254965104
Energy: 0.8102088994032697
Energy: 0.20883299979522876
Energy: 0.5811590054411765
Energy: -0.668958497985442
Energy: 0.5811590054411765
Energy: 0.08276593111443269
Energy: 0.790878473135793
Energy: 0.225477104495373
Energy: 0.7908784731339226
Energy: 0.30892388432219914
Energy: 0.779938425395785
Energy: -0.4940326055631724
Energy: 0.7799384253948499
Energy: 0.1408337585750537
Energy: 0.7987898233600665
Energy: 0.17138673683953354
Energy: 0.7987898233628722
Energy: 0.2092930659443647
Energy: 0.8187015201808278
Energy: -0.17796482573423877
Energy: 0.8187015201855038
Energy: -0.24350946344590155
Energy: 0.7569982701246246
Energy: 0.22901008945114398
Energy: 0.7569982701910245
Energy: 0.18594975920414775
Energy: 0.14377733178293714
Energy: -0.24197330884258011
Energy: 0.14374885180801722
Energy: -0.20772937285487722
Energy: 0.7910635615830067
Energy: 0.1837327294214531
Energy: 0.7910635615792659
Energy: -0.2699126027694799
Energy: 0.818474305930752
Energy: 0.22140787258807149
Energy: 0.8184743058662651
Energy: -0.1473549904867809
Energy: 0.578983500468708
Energy: 0.18814427897038472
Energy: 0.578983500468708

minimum gb energy = -0.6798129829524555 eV
minimum distance =  2.21451487123496 Angstroms
sigma value = 41


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

Energy: 0.1690849593269815
Energy: 0.5884791559355849
Energy: -1.2539118134715552
Energy: 0.5884791559363517
Energy: -0.2608512100017177
Energy: 0.6435871862721475
Energy: -0.45662802147274245
Energy: 0.6435871862744478
Energy: -0.19642504899499064
Energy: 0.5386368737560436
Energy: -0.4090081527725597
Energy: 0.538636873762944
Energy: -0.4838298750031323
Energy: 0.5978025174454503
Energy: -0.46832519372077835
Energy: 0.5978025174500508
Energy: -0.0923006880845442
Energy: 0.6705963191443636
Energy: -0.31927548287869145
Energy: 0.6705963191397633
Energy: -0.7097581760921186
Energy: 0.6029954897513989
Energy: -0.45978883524390796
Energy: 0.6029954897605996
Energy: -0.32731049677200913
Energy: 0.566956063995873
Energy: -0.3635022309248525
Energy: 0.566956063995873
Energy: -0.4325390124973368
Energy: 0.43676719886112897
Energy: -0.560997324636824
Energy: 0.4367671989637994
Energy: -0.6113184487518328
Energy: 0.007281509303944759
Energy: -0.5212501874350992
Energy: 0.007308938125053228
Energy: -0.4648946633327701
Energy: 0.6137230591363655
Energy: -0.2002062693630022
Energy: 0.6137230592498047
Energy: -0.63635537662422
Energy: 0.6481771319596972
Energy: -0.18466759785315928
Energy: 0.6481771319497647
Energy: -0.4111179915714478
Energy: 0.6167160659115549
Energy: 0.27193883182767736
Energy: 0.6167160659123215
Energy: -0.2317153717328532
Energy: -0.019366275811431848
Energy: -0.247406674894216
Energy: -0.019347153113650265
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Energy: 0.2979458379377546
Energy: -0.18572844875113856
Energy: 0.29790858822886596
Energy: -0.2798497758435764
Energy: 0.5622054379846997
Energy: -0.48113074075509465
Energy: 0.5622054379892999
Energy: -0.22154698057932587
Energy: -0.032157126692735044
Energy: -0.4803534999930965
Energy: -0.021320691568242574
Energy: -0.36079170044364295
Energy: 0.1287803527308394
Energy: -0.8007674803364431
Energy: 0.12857755803051965
Energy: -0.15049407249921126
Energy: 0.6352725779206075
Energy: -0.565197382199863
Energy: 0.6352725779236743
Energy: -0.3610605409928439
Energy: 0.4280700212536681
Energy: -0.5358847875666132
Energy: 0.4280700211839317
Energy: 0.0785641329987782
Energy: 0.005259523394722545
Energy: -0.62243362373429
Energy: 0.005260303006833519
Energy: -0.041960884881107094
Energy: 0.6139152122791587
Energy: -0.9879650201223164
Energy: 0.6139152117687342
Energy: -0.23967143099317703
Energy: 0.49602904148074184
Energy: -0.4817646323361093
Energy: 0.49602904126846575
Energy: 0.12299294789516596
Energy: 0.6058628964534876
Energy: -0.5235914049793816
Energy: 0.6058628964588546
Energy: -0.23774742855659328
Energy: 0.6766482450383668
Energy: -0.559602086161908
Energy: 0.6766482450368333
Energy: -0.04619191322729008
Energy: 0.6398308898976037
Energy: -1.4398943146317784
Energy: 0.639830889899904
Energy: -0.4657219871393137
Energy: 0.6478360557948325
Energy: -0.513474129514829
Energy: 0.6478360557955991
Energy: -0.4069819334403036
Energy: 0.6162782721891517
Energy: -0.28432490536510036
Energy: 0.6162782721991189
Energy: -0.19935216891840324
Energy: 0.6303763280240371
Energy: -0.608780408732197
Energy: 0.6303763280240371
Energy: -0.056786125671561154
Energy: 0.04591341149920575
Energy: -0.17234137568161823
Energy: 0.04617379136217965
Energy: -0.4917878739852294
Energy: 0.6294401405793999
Energy: -0.3891584815674511
Energy: 0.6294401405801667
Energy: -0.5109442843230038
Energy: 0.2984137484221246
Energy: 0.06969642637352085
Energy: 0.29841374975868695
Energy: -0.4650515141363124
Energy: 0.6344927466487204
Energy: -0.18996839438008042
Energy: 0.6344927466464202

minimum gb energy = -1.4398943146317784 eV
minimum distance =  2.20899311143005 Angstroms
sigma value = 15


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

Energy: 0.22718317664595739
Energy: -0.41197447970178697
Energy: -1.2196478453678972
Energy: -0.41245161750281
Energy: -0.6174763333106728
Energy: -0.5500878085650147
Energy: -0.799832202557866
Energy: -0.7444597013492631
Energy: -0.5841788919226798
Energy: 0.4749307889143786
Energy: -2.0093863311066262
Energy: 0.474930788909832
Energy: -0.7479685649993933
Energy: -0.9341080009535854
Energy: -0.8810587035232538
Energy: -0.9495035852966413
Energy: -0.9688682033023626
Energy: -0.4870188731215903
Energy: -1.854070487375045
Energy: -0.48821974648760874
Energy: -0.948607902477274
Energy: -0.7452949549991456
Energy: -0.8702386439643583
Energy: -0.6167548925741173
Energy: -0.821919269389187
Energy: -0.7552702018112445
Energy: -1.1215942766376636
Energy: -0.7335153343069679
Energy: -1.0295713494636993
Energy: 0.4796465585432871
Energy: -0.6761518302569368
Energy: 0.4796465585510813
Energy: -1.350048930996558
Energy: -0.5334145654817021
Energy: -0.8566119949740396
Energy: -0.5446594208738137
Energy: -1.3695683031866084
Energy: -0.7385617881309787
Energy: -0.9398890497836706
Energy: -0.6914107372511544
Energy: -0.7692674966477705
Energy: -1.026875359565463
Energy: -0.6706010867692495
Energy: -0.9042169181185368
Energy: -1.17341561431662
Energy: -0.8757415159483964
Energy: -0.7570897309430401
Energy: -0.8406975072982001
Energy: -1.3387438900909436
Energy: 0.5268511714151966
Energy: -0.48332015567874553
Energy: 0.5268511714145471
Energy: -1.2943299567539432
Energy: -0.6354924750724974
Energy: 0.10506569019103568
Energy: -0.602738802467473
Energy: -0.8182312550775661
Energy: -0.7939479040185947
Energy: -0.5780597876995935
Energy: -0.899444748868058
Energy: -1.1700502598805442
Energy: 0.5471094309919186
Energy: -0.7622077576244651
Energy: 0.5471094309964653
Energy: -1.2384452509502495
Energy: 0.5419264102049297
Energy: -0.7777411694757933
Energy: 0.5419264102042801
Energy: -1.1544394196504357
Energy: -0.6030923880145179
Energy: -0.863599451540627
Energy: -0.622962376283188
Energy: -0.8142761795859436
Energy: 0.5037226217119976
Energy: -0.8863638129023238
Energy: 0.5037226217204412
Energy: -1.1654985360429229
Energy: -1.021870696094099
Energy: -0.7425977536488992
Energy: -1.042313030074146
Energy: -0.8133592765515969
Energy: -0.4066969188591005
Energy: -1.1899756659558147
Energy: -0.23049489909832932
Energy: -0.5206878219321972
Energy: -0.7156947920256893
Energy: -1.4165972546674486
Energy: -0.7042563494416704
Energy: -0.7644886294308118
Energy: 0.5172849509232573
Energy: -1.430877059865369
Energy: 0.5172849509148136
Energy: -0.7117048539372216
Energy: 0.5254830439687252
Energy: -0.763363274935362
Energy: 0.5254830439765195
Energy: -0.003812582252477374
Energy: -0.04604578583692416
Energy: -1.4553717804576918
Energy: -0.00985937742158894
Energy: -0.5683417684911711
Energy: -0.3266249635865871
Energy: -1.246729482237249
Energy: -0.4564169482477619
Energy: 0.10201849556773153
Energy: -0.6102157653454519
Energy: -1.180152316845615
Energy: -0.6041774666728711
Energy: -0.4188207530840304
Energy: -0.3252864324450737
Energy: -0.8770880934428021
Energy: -0.3230338266198732
Energy: -0.0060160634724377065
Energy: 0.5981980734832194
Energy: -1.4196203139150152
Energy: 0.5981980734845184
Energy: -0.5183962051119867
Energy: 0.5394067507464088
Energy: -1.2094127797313317
Energy: 0.5394067507412126
Energy: -0.8238654290619614
Energy: -0.7010313171402907
Energy: -1.0415734396250893
Energy: -0.6898924144033198
Energy: -0.8920519330229342
Energy: -0.44070991094286494
Energy: -0.7521284992848789
Energy: -0.42102810871135826
Energy: -1.311977034127482
Energy: 0.5451308645477463
Energy: -1.0243666495788388
Energy: 0.5451308645321579
Energy: -1.2476175058370502
Energy: -0.3445258900893819
Energy: -1.2532382461518912
Energy: -0.3586706708292826
Energy: -1.5062876852806757
Energy: 0.4795770922125476
Energy: -0.8050139315179272
Energy: 0.4795770922385283
Energy: -1.4253835843986002
Energy: -0.29726755800118904
Energy: -0.21322110634660238
Energy: -0.29329170405803684
Energy: -0.8725424554997252
Energy: 0.1778071911309026
Energy: -0.7670429790581406
Energy: 0.1778041956190223

minimum gb energy = -2.0093863311066262 eV
minimum distance =  2.243386893713 Angstroms
sigma value = 85


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

Energy: 0.6543818631600519
Energy: 0.47645807205342544
Energy: -0.8910568810058888
Energy: 0.4764580720551154
Energy: 0.47307950189032105
Energy: 0.22545189647760988
Energy: -0.05966465408358554
Energy: 0.2254518957067475
Energy: 0.5859701748688269
Energy: 0.2335284747116568
Energy: -0.597827870760856
Energy: 0.23352847584793943
Energy: 0.057694511345732835
Energy: 0.19464026138989737
Energy: -0.18476329014595444
Energy: 0.1946580614306187
Energy: 0.24668794647439607
Energy: 0.1873972530470708
Energy: -0.6862467363521217
Energy: 0.187402849187609
Energy: 0.02443516453560592
Energy: 0.302223912994729
Energy: -0.026564467635901798
Energy: 0.30222391262590315
Energy: 0.14585540713235914
Energy: 0.4631140460311128
Energy: -0.09807864995476397
Energy: 0.46311404602998607
Energy: 0.03777477031661585
Energy: 0.2672259753255865
Energy: 0.07658211321236123
Energy: 0.26722627925727155
Energy: 0.06419501844516037
Energy: 0.43621636907158995
Energy: -0.34036241420637586
Energy: 0.43621636907046324
Energy: -0.1356506769993132
Energy: 0.5003947211678037
Energy: -0.35659544604187177
Energy: 0.500394721168367
Energy: -0.08674308446131063
Energy: 0.46079466621352216
Energy: -0.027056985861164614
Energy: 0.46079466620450893
Energy: -0.3128531886654286
Energy: 0.20567658489553559
Energy: 0.273391294743885
Energy: 0.1961790227951785
Energy: 0.011303685566433437
Energy: 0.4289692312286036
Energy: 0.08578413254413288
Energy: 0.4289692312646565
Energy: -0.9949066487762392
Energy: 0.4826083727397204
Energy: 0.3314673010787561
Energy: 0.48260837273859375
Energy: -0.14509686339980832
Energy: 0.23431854199301705
Energy: 0.38090916283514575
Energy: 0.23431861974385182
Energy: -1.0162018273518902
Energy: 0.4609646524071003
Energy: 0.4122116943847828
Energy: 0.4609646524442543
Energy: 0.018892314933590507
Energy: 0.04768710690620489
Energy: 0.26676933730493
Energy: 0.04768710678739402
Energy: -0.6785174270139468
Energy: 0.2529319304766314
Energy: 0.2381845862122521
Energy: 0.2529319299968813
Energy: -0.008195839583897857
Energy: 0.28148523199081876
Energy: 0.3358760446079415
Energy: 0.2814852320122252
Energy: -0.44455646706846447
Energy: 0.44764099032497323
Energy: 0.2737395050603291
Energy: 0.44764099031933996
Energy: -0.009258783735017269
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Energy: -0.08059500581541927
Energy: 0.40134509131146356
Energy: -0.05186842482628621
Energy: 0.30295019015835917
Energy: -0.20243574091252983
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Energy: 0.007313086286074464
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Energy: 0.2723905181852827
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Energy: 0.46349764797158216
Energy: 0.08122684919580925
Energy: 0.46349764797383547
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Energy: -0.07411531932259567
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Energy: -0.10488786278425846
Energy: 0.3033031790845011
Energy: -0.11624793031363993
Energy: 0.30330317907720344
Energy: 0.28209177596032103
Energy: 0.08286573709278545
Energy: -0.39106467598422723
Energy: 0.07988196356042464
Energy: 0.38882355938242336
Energy: 0.46579560734172376
Energy: 0.06858673933926712
Energy: 0.46579560659508445
Energy: 0.20847586000533688
Energy: 0.23318184973602765
Energy: -0.679157475462278
Energy: 0.23317583745487144
Energy: 0.49853595752920005
Energy: 0.25771486422570855
Energy: -0.13662240460017752
Energy: 0.25770068356602366
Energy: 0.6532805464169734
Energy: 0.48053508358494695
Energy: -0.5374143452245094
Energy: 0.4805350835855102
Energy: 0.5652531518055729
Energy: 0.4853895036322874
Energy: -0.18264806469582892
Energy: 0.48538950363397737
Energy: 0.19287911464905597
Energy: 0.19268168129101854
Energy: -1.1046639205853996
Energy: 0.19275557278215338
Energy: 0.415335322092463
Energy: 0.45789826169591213
Energy: -0.11430985094672019
Energy: 0.45789826154163715
Energy: 0.29176882576394997
Energy: 0.40307973481412385
Energy: -0.34080477653680247
Energy: 0.4030797380608359
Energy: 0.07424452233215713
Energy: 0.48200906080544464
Energy: -0.4527811641120647
Energy: 0.48200906077786726
Energy: 0.0334865140251935
Energy: 0.30103572368875237
Energy: -0.09365619634132688
Energy: 0.3010357237411162
Energy: 0.1302893302488636
Energy: 0.18446547997215698
Energy: -0.12569956572269209
Energy: 0.18450955411384126
Energy: -0.028744244585167462
Energy: 0.11872957505428659
Energy: 0.07118950631174051
Energy: 0.12169994307781037
Energy: -0.1347778365276448
Energy: 0.5333633157359274
Energy: 0.18111945389372486
Energy: 0.5333633157364908
Energy: -0.11406223788926857
Energy: 0.471529861797354
Energy: 0.3427288626284257
Energy: 0.4715298617979173
Energy: -0.20964420385494642
Energy: 0.24044543766728055
Energy: 0.28694831205685856
Energy: 0.2404449400319282
Energy: -0.020337070275418968
Energy: 0.41374739876153366
Energy: 0.3696719569702973
Energy: 0.41374739926829784

minimum gb energy = -1.1046639205853996 eV
minimum distance =  2.24427992222598 Angstroms
sigma value = 113


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

Energy: 0.017065260496568074
Energy: 0.017757870085833075
Energy: 0.4547463253634141
Energy: 0.017757870086266135
Energy: 0.453533373980102
Energy: 0.0823844789920485
Energy: -5.340112843187781
Energy: 0.08238447899289056
Energy: 0.017065260496568074
Energy: 0.017757870087132248
Energy: -1.353047638074266
Energy: 0.017757870087565304
Energy: 0.45353337398094407
Energy: 0.0823844789933236
Energy: -5.340112843188215
Energy: 0.08238447899248157
Energy: 0.017065260496568074
Energy: 0.01775787008669919
Energy: -1.3413619904031135
Energy: 0.017757870086266135
Energy: 0.4535333739775517
Energy: 0.08238447899289056
Energy: -5.340112843187781
Energy: 0.08238447899373261

minimum gb energy = -5.340112843188215 eV
minimum distance =  2.55705223913485 Angstroms
sigma value = 1