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=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855324655771256
cohesive_energy=4.122759316663293
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.3390607784579838e-19, 2.2042425695245197e-19, 2.91573716915124e-19, 3.54379040967924e-19, 4.05180857678796e-19, 4.455653219154e-19, 4.77759459198996e-19, 5.04128082241368e-19, 5.267876663760299e-19, 5.469991246139399e-19, 5.6516620546686595e-19, 5.81332167703926e-19, 5.955242483278979e-19, 6.0783377140692e-19, 6.184209546043919e-19, 6.275293287686819e-19, 6.35365574685576e-19, 6.420979209016439e-19, 6.478000675420499e-19, 6.524607993703559e-19, 6.560544815604179e-19, 6.585731032290661e-19, 6.600262774361039e-19, 6.604877043066959e-19, 6.60013460023032e-19, 6.585314466365819e-19, 6.5595514660911e-19, 6.52183622812674e-19, 6.47067872820312e-19, 6.403851940798979e-19, 6.31856807857116e-19, 6.211783005915059e-19, 6.080580761356799e-19, 5.919481900808099e-19, 5.71885734269862e-19, 5.4678283076835e-19, 5.15146250953386e-19, 4.758624820643399e-19, 4.2867838019304e-19, 3.7387913278033796e-19, 3.1210881483310196e-19, 2.4415409507862597e-19, 1.7058855275188197e-19, 7.56140853709764e-20, -6.34449129650928e-20, -2.67952826800062e-19, -5.565961626516e-19, -9.45904256417358e-19, -1.4631445522313819e-18, -2.2322165735541596e-18, -3.51796332233916e-18, -5.870647557003779e-18, -1.028618227324242e-17, -1.86470929724724e-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: 0.012742793958674226
Energy: 0.012843835395714825
Energy: 1.6368671958404557
Energy: 0.9274358177039905
Energy: 0.012843835395714825
Energy: 0.21459047748882767
Energy: 0.9270624854216781
Energy: 0.21459047748785023
Energy: 1.636867195843416
Energy: 0.9270624854216781
Energy: 1.2546054772342696
Energy: 0.9270624854236611
Energy: 0.9274358177039905
Energy: 0.21459047748882767
Energy: 0.9270624854246385
Energy: 0.21459047749276533

minimum gb energy = 0.012742793958674226 eV
minimum distance =  2.4312415812309 Angstroms
sigma value = 1


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

Energy: 1.9810529058157358
Energy: 1.0057257384962723
Energy: 0.8915726914802243
Energy: 0.8903928110939103
Energy: 1.7414356306203156
Energy: 0.9911251413998013
Energy: 0.9902765729991431
Energy: 0.9911251413998013
Energy: 1.7441813809329663
Energy: 0.8926358827083951
Energy: 0.8926617947881621
Energy: 0.8926358827083951
Energy: 1.7453310916850369
Energy: 0.9188547488548914
Energy: 0.8909798668834817
Energy: 0.9188547488548914
Energy: 1.8321060961011206
Energy: 0.8903707201864625
Energy: 1.282115033859456
Energy: 0.8903707201864625
Energy: 1.7553139929679318
Energy: 0.9190432211535776
Energy: 1.2012982408606503
Energy: 0.9190432211535776
Energy: 1.657312314881401
Energy: 0.8922359015946943
Energy: 1.2155539066019707
Energy: 0.8922359015946943
Energy: 1.501765323549012
Energy: 0.8904376995762564
Energy: 1.179887865672439
Energy: 0.8904376995701602
Energy: 1.4385888327043717
Energy: 0.8902248555577983
Energy: 1.1796232919644813
Energy: 0.8902248555614561
Energy: 1.5123466205879257
Energy: 0.9555845244629181
Energy: 1.509219634387652
Energy: 0.9555845244629181
Energy: 1.4987542273036323
Energy: 0.8904741360684505
Energy: 1.4214767985324104
Energy: 0.8904741360647928
Energy: 1.1824072794009846
Energy: 0.8905373624980264
Energy: 1.5097579531605039
Energy: 0.8905373625016844
Energy: 1.2468614124937403
Energy: 0.8919493094252584
Energy: 1.49849743605846
Energy: 0.8919493094252584
Energy: 1.2004224876084015
Energy: 0.9187472490569234
Energy: 1.7545877220918926
Energy: 0.9187472490581428
Energy: 1.2087376049882133
Energy: 0.890706387421425
Energy: 1.5702219082005857
Energy: 0.8907063874226443
Energy: 0.890553236361336
Energy: 0.9187966744391841
Energy: 1.7589460868397686
Energy: 0.9187966744391841
Energy: 0.8926114752463982
Energy: 0.8921290558569187
Energy: 1.7627567260431078
Energy: 0.8921290558569187
Energy: 0.9597882671951644
Energy: 0.9239392664923536
Energy: 1.7325394614230647
Energy: 0.9239392664935729
Energy: 0.8910923395430886
Energy: 0.890525231303807
Energy: 1.654853536791097
Energy: 0.8905252313050264
Energy: 1.0358181586566195
Energy: 0.9575872413484955
Energy: 1.7441780965887934
Energy: 0.9575872413472764
Energy: 0.9982881179125579
Energy: 0.8919305950960085
Energy: 1.7437620071974604
Energy: 0.8919305950947892
Energy: 0.9960725627793596
Energy: 0.8901626546443425
Energy: 1.6784764202899027
Energy: 0.8901626546406846
Energy: 0.991729884084229
Energy: 0.8901011809999906
Energy: 1.496118981714693
Energy: 0.8901011809560962
Energy: 1.344110825501611
Energy: 0.8903081141126176
Energy: 1.6816808701932107
Energy: 0.8903081141138368
Energy: 1.3700231744361715
Energy: 0.8916426265404385
Energy: 1.666450902469967
Energy: 0.8916426265379999
Energy: 1.345619254455704
Energy: 1.14024443416763
Energy: 1.341616717240922
Energy: 1.1402444341664109
Energy: 1.3452079096904321
Energy: 0.9571767765699386
Energy: 1.4277097837635355
Energy: 0.9571767765687194
Energy: 1.679069282057211
Energy: 0.8904390190065955
Energy: 1.3408357473975367
Energy: 0.8904390190065955
Energy: 1.572831573644165
Energy: 0.8903417861546962
Energy: 1.3499509013580193
Energy: 0.8903417861571348
Energy: 1.570628218843448
Energy: 0.8903211026589557
Energy: 0.9964422520573946
Energy: 0.8903211026589557
Energy: 1.6674438608943074
Energy: 0.8910501439217156
Energy: 1.0099534209344567
Energy: 0.8910501439217156
Energy: 1.7508595390401
Energy: 0.891915932529656
Energy: 1.0367666832449378
Energy: 0.891915932529656
Energy: 1.746950745930513
Energy: 0.8906215786579184
Energy: 0.9826131624711406
Energy: 0.8906215786579184

minimum gb energy = 0.8901011809560962 eV
minimum distance =  2.31382099499596 Angstroms
sigma value = 1


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

Energy: 2.198632790021833
Energy: 1.0848028083110584
Energy: 0.9230777257822473
Energy: 0.9237216507367121
Energy: 1.7012607370934936
Energy: 1.0023741094303573
Energy: 1.0018160242986964
Energy: 1.0023741094303573
Energy: 1.7078485329605393
Energy: 0.9233768092134251
Energy: 0.9230743309091829
Energy: 0.923376809212035
Energy: 1.6965956955062351
Energy: 1.0019463676943003
Energy: 1.006015045782732
Energy: 1.0019463676943003
Energy: 1.852241791087981
Energy: 0.924227040057354
Energy: 1.08130785526389
Energy: 0.9242270400559638
Energy: 1.6930106655080404
Energy: 1.0020546576807599
Energy: 1.2292059582149373
Energy: 1.0020546576793696
Energy: 1.7079244780539884
Energy: 0.9262516027537859
Energy: 1.1473688021062451
Energy: 0.9262516027537859
Energy: 1.5350120723429839
Energy: 0.924528750730853
Energy: 1.1530685293034524
Energy: 0.924528750729463
Energy: 1.5204830301493348
Energy: 0.9239883260153733
Energy: 1.1645258265840857
Energy: 0.9239883260153733
Energy: 1.5263932524545518
Energy: 1.0026588311201408
Energy: 1.5177156100219902
Energy: 1.0026588311201408
Energy: 1.528091354833063
Energy: 0.9230810174382473
Energy: 1.3327602003063561
Energy: 0.9230810174382473
Energy: 1.1400800533246547
Energy: 0.9245803166309002
Energy: 1.333044594085896
Energy: 0.9245803166336807
Energy: 1.1983793409916366
Energy: 0.9236541416759533
Energy: 1.518924096045492
Energy: 0.9236541416773434
Energy: 1.2161939626209919
Energy: 0.9236055611005491
Energy: 1.7091915040271872
Energy: 0.9236055610991589
Energy: 1.0330252747527309
Energy: 0.9242726298234171
Energy: 1.6809798885188754
Energy: 0.9242726298234171
Energy: 1.0018478787235583
Energy: 1.0026048467574575
Energy: 1.7114528274144125
Energy: 1.002604846754677
Energy: 0.9229075348622544
Energy: 0.9233703483725144
Energy: 1.7080571335047439
Energy: 0.9233703483725144
Energy: 1.0052274611626464
Energy: 0.9258112481782557
Energy: 1.6952605737850301
Energy: 0.9258112481768653
Energy: 1.0031277990565421
Energy: 0.9244267454956073
Energy: 1.5034735309318554
Energy: 0.9244267454956073
Energy: 1.222241999014924
Energy: 1.0021445759471443
Energy: 1.6937606231518816
Energy: 1.002144575945754
Energy: 1.144204400230066
Energy: 0.9262990806429395
Energy: 1.7079067114123125
Energy: 0.9262990806429395
Energy: 1.1497479644396105
Energy: 0.9245154993739888
Energy: 1.5266600356067621
Energy: 0.9245154993781595
Energy: 1.1563020604847245
Energy: 0.9244160851615407
Energy: 1.524419272369331
Energy: 0.9244160851657114
Energy: 1.5181270565360767
Energy: 1.0026275354560052
Energy: 1.5312749853909575
Energy: 1.0026275354573952
Energy: 1.330092893565644
Energy: 0.9247117950511795
Energy: 1.5271282695431654
Energy: 0.9247117950428699
Energy: 1.3297944026913082
Energy: 0.9245482915259999
Energy: 1.2164905448119268
Energy: 0.9245482915246096
Energy: 1.5185044776992793
Energy: 0.9233233540035597
Energy: 1.2215875192556804
Energy: 0.9233233540021695
Energy: 1.70957236519857
Energy: 0.923545152176258
Energy: 1.21614379326145
Energy: 0.9235451521776481
Energy: 1.7030116196350669
Energy: 0.9244569148492068
Energy: 1.1417489332577098
Energy: 0.9244569148492068

minimum gb energy = 0.9229075348622544 eV
minimum distance =  2.32035147461868 Angstroms
sigma value = 25


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

Energy: 2.0818760679798127
Energy: 1.0907304683959254
Energy: 0.9871500634982681
Energy: 0.9874128792487635
Energy: 1.5956430044477878
Energy: 1.0265541859145548
Energy: 1.1085071107060365
Energy: 1.0265541859129388
Energy: 1.617369279851056
Energy: 0.9902465078575172
Energy: 0.9901581861906981
Energy: 0.9902465078591335
Energy: 1.617816972208002
Energy: 1.017353180239785
Energy: 1.0188065579277084
Energy: 1.017353180239785
Energy: 1.533454590615062
Energy: 0.986591304202054
Energy: 1.3975955322218305
Energy: 0.98659130420367
Energy: 1.6396124408602497
Energy: 1.0174864915621589
Energy: 1.3591217721624838
Energy: 1.0174864915621589
Energy: 1.6179474503851126
Energy: 1.1383531223506433
Energy: 1.3415058718654276
Energy: 1.1383531223506433
Energy: 1.3306771099755401
Energy: 1.2280928878175965
Energy: 1.3405644443763332
Energy: 1.2280928878175965
Energy: 1.3409587600808195
Energy: 1.1383816351982579
Energy: 1.3407574751432527
Energy: 1.138381635199874
Energy: 1.363280855851814
Energy: 0.9872224961029328
Energy: 1.6193467363021345
Energy: 0.9872224961045489
Energy: 1.295873596763274
Energy: 0.9869510587421808
Energy: 1.630830274601078
Energy: 0.9869510587421808
Energy: 1.0183596244655244
Energy: 1.0178793853488173
Energy: 1.6302005383403229
Energy: 1.017879385350433
Energy: 0.9820459174970554
Energy: 0.9864992776558328
Energy: 1.616958112663876
Energy: 0.9864992776558328
Energy: 1.0673047099330861
Energy: 0.9871017665036224
Energy: 1.61426154150828
Energy: 0.9871017665036224
Energy: 1.0185932623309353
Energy: 0.9875695702343773
Energy: 1.5314754658412018
Energy: 0.9875695702489221
Energy: 1.2361719454570734
Energy: 1.1082895399074901
Energy: 1.6153978805452467
Energy: 1.1082895399091064
Energy: 1.1245379505701967
Energy: 0.9869994897374591
Energy: 1.6181490345956784
Energy: 0.9869994897374591
Energy: 1.123891976190454
Energy: 0.9874132140968547
Energy: 1.5281482214226103
Energy: 0.9874132140984706
Energy: 1.198011868375307
Energy: 0.9876296238808768
Energy: 1.5005714498311586
Energy: 0.9876296238792609
Energy: 1.54698840529439
Energy: 1.0744764401383182
Energy: 1.5284989530985325
Energy: 1.0744764401383182
Energy: 1.434211740233248
Energy: 0.9866792099054938
Energy: 1.5280406065216126
Energy: 0.9866792099087258
Energy: 1.4350204163501679
Energy: 0.9872029270572781
Energy: 1.1667072448466964
Energy: 0.9872029270556619
Energy: 1.5282213446697746
Energy: 0.9888369281365462
Energy: 1.1566994359104195
Energy: 0.9888369281365462
Energy: 1.617486661677114
Energy: 0.9828016796880212
Energy: 1.2325211651077124
Energy: 0.9828016796880212
Energy: 1.6294256935103053
Energy: 0.987258269348228
Energy: 1.1478237502653594
Energy: 0.9872582693466118

minimum gb energy = 0.9820459174970554 eV
minimum distance =  2.30978704429046 Angstroms
sigma value = 9


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

Energy: 2.1753283786068223
Energy: 1.1786850878044142
Energy: 1.1861181468425526
Energy: 1.1658276697722032
Energy: 1.524134741625476
Energy: 1.089590441599568
Energy: 1.134447371402936
Energy: 1.0895904416016713
Energy: 1.6202652481656332
Energy: 1.082973561440113
Energy: 1.082209670009058
Energy: 1.0829735614405076
Energy: 1.621386746887834
Energy: 1.1820046234112493
Energy: 1.186453203720985
Energy: 1.1820046234112493
Energy: 1.645814549058417
Energy: 1.0889494143638234
Energy: 1.1946519102913413
Energy: 1.088949414357273
Energy: 1.6229278815257975
Energy: 1.0827838640183638
Energy: 1.3078891224499476
Energy: 1.0827838640187364
Energy: 1.5281468092560895
Energy: 1.098250208610605
Energy: 1.2166684254940565
Energy: 1.0982502086113717
Energy: 1.4925663704881036
Energy: 1.1808167321120548
Energy: 1.314728507281469
Energy: 1.1808167321118577
Energy: 1.381337897331914
Energy: 1.0973433092550984
Energy: 1.2302768019323462
Energy: 1.0973433092541343
Energy: 1.3731940694905143
Energy: 1.1497267181068012
Energy: 1.484804591348106
Energy: 1.149726718106604
Energy: 1.2237886346691178
Energy: 1.0038610682125546
Energy: 1.4852174579034214
Energy: 1.0038610682127518
Energy: 1.1322201677754975
Energy: 1.0032062079739508
Energy: 1.4850301082230655
Energy: 1.0032062079735566
Energy: 1.1400846104002327
Energy: 1.0047579139664355
Energy: 1.503359579117208
Energy: 1.004757913966633
Energy: 1.35624915679358
Energy: 1.241207531985725
Energy: 1.4477678765653177
Energy: 1.241207531986119
Energy: 1.1317718826791654
Energy: 1.003796722026343
Energy: 1.6455987476178038
Energy: 1.003796722025971
Energy: 1.4786611841388044
Energy: 1.332137985320652
Energy: 1.4475750645641265
Energy: 1.332137985321419
Energy: 1.216643902911416
Energy: 1.2511828161354481
Energy: 1.447265111115547
Energy: 1.2511828161354481
Energy: 1.2165584450043927
Energy: 1.2515751377817845
Energy: 1.3934688407584943
Energy: 1.2515751377812148
Energy: 1.3735686343868843
Energy: 1.2430832355444363
Energy: 1.5028902176926766
Energy: 1.243083235544831
Energy: 1.6208465056485528
Energy: 1.2431637198307999
Energy: 1.3937657568991748
Energy: 1.2431637198307999
Energy: 1.5231878180181617
Energy: 1.134435071374695
Energy: 1.3943870977710797
Energy: 1.1344350713752647

minimum gb energy = 1.0032062079735566 eV
minimum distance =  2.26741171886524 Angstroms
sigma value = 25


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

Energy: 1.6245742405577348
Energy: 1.1870294774826755
Energy: 1.2489260192407292
Energy: 1.203085946979731
Energy: 1.3540056664634037
Energy: 1.131906795553726
Energy: 1.2128028500774783
Energy: 1.1319067955525342
Energy: 1.4496394468983733
Energy: 1.1174736831359737
Energy: 1.1156556629880838
Energy: 1.11747368313573
Energy: 1.4364273191052135
Energy: 1.119557857639842
Energy: 1.11896382927664
Energy: 1.1195578576405463
Energy: 1.3586085791522786
Energy: 1.1165336927096536
Energy: 1.495741033687805
Energy: 1.116533692684403
Energy: 1.4566396000955275
Energy: 1.2391073416741003
Energy: 1.4259466408831705
Energy: 1.239107341673152
Energy: 1.449164951241916
Energy: 1.1185417006857095
Energy: 1.5010407383449764
Energy: 1.118541700686197
Energy: 1.118659146180911
Energy: 1.119396692118655
Energy: 1.4967938036567432
Energy: 1.1193966921181673
Energy: 1.1192400805421714
Energy: 1.1173872301154744
Energy: 1.4418350076530424
Energy: 1.11738723011477
Energy: 1.1861523550274828
Energy: 1.1173849972958005
Energy: 1.4401510944674116
Energy: 1.1173849972931724
Energy: 1.1172453591210099
Energy: 1.1333229178864788
Energy: 1.4348684134695704
Energy: 1.133322917886235
Energy: 1.4478278212614604
Energy: 1.1319697596571958
Energy: 1.4337286227570938
Energy: 1.131969759656708
Energy: 1.3040538044535646
Energy: 1.117058970559999
Energy: 1.4422209405483821
Energy: 1.1170589705595382
Energy: 1.3025958876777257
Energy: 1.2417766346330288
Energy: 1.3667390922022913
Energy: 1.2417766346339771
Energy: 1.390943443460617
Energy: 1.2414795287100242
Energy: 1.3626888555295598
Energy: 1.2414795287097804
Energy: 1.4411084775927219
Energy: 1.2413365722483873
Energy: 1.3692760117412344
Energy: 1.2413365722467076
Energy: 1.354170366866497
Energy: 1.2495828137990688
Energy: 1.3812933221998085
Energy: 1.2495828137995564

minimum gb energy = 1.1156556629880838 eV
minimum distance =  2.30397741125645 Angstroms
sigma value = 17


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

Energy: 1.6150133722337614
Energy: 1.2305271887426603
Energy: 1.2923313137324894
Energy: 1.1971862524390664
Energy: 1.3374757153580972
Energy: 1.1321847151203719
Energy: 1.2963227018642172
Energy: 1.1321847151163211
Energy: 1.393796599230672
Energy: 1.1328780442298052
Energy: 1.1343912951586506
Energy: 1.1328780442298052
Energy: 1.411303350291533
Energy: 1.123310041959666
Energy: 1.1222304636074978
Energy: 1.1233100419583157
Energy: 1.4077429998627127
Energy: 1.271744238491747
Energy: 1.434958484981191
Energy: 1.271744238491747
Energy: 1.3600204997215148
Energy: 1.138400265218338
Energy: 1.3505349960317408
Energy: 1.1384002652169876
Energy: 1.386364431753847
Energy: 1.1569857624493864
Energy: 1.4420933042364485
Energy: 1.1569857624493864
Energy: 1.2267622303019814
Energy: 1.2272163939295597
Energy: 1.3860716896391998
Energy: 1.2272163939309098
Energy: 1.155085954723748
Energy: 1.138411410945808
Energy: 1.3661413586015816
Energy: 1.1384114109444579
Energy: 1.1472973601609464
Energy: 1.1388928937246865
Energy: 1.3667222278942937
Energy: 1.1388928937206355
Energy: 1.1408587398527972
Energy: 1.2378277703979494
Energy: 1.412492789479298
Energy: 1.2378277703992997
Energy: 1.3616747031126963
Energy: 1.1317694058110097
Energy: 1.3671984213633566
Energy: 1.1317694058110097
Energy: 1.4428742890473958
Energy: 1.2579457671846828
Energy: 1.370164289386026
Energy: 1.2579457671833325
Energy: 1.4433432732016562
Energy: 1.1487016503041387
Energy: 1.1488149005394965
Energy: 1.1487016502973875
Energy: 1.3450856730544438
Energy: 1.1312408893832633
Energy: 1.150603919135604
Energy: 1.1312408893832633
Energy: 1.3448399871976724
Energy: 1.138422628496776
Energy: 1.1793625546766093
Energy: 1.1384226284954257
Energy: 1.4223914534521747
Energy: 1.2262290986686084
Energy: 1.227590100435942
Energy: 1.2262290986672582
Energy: 1.4227091936632081
Energy: 1.2262631400429138
Energy: 1.4268365733807158
Energy: 1.226263140044264
Energy: 1.3446301508583391
Energy: 1.1380459604686546
Energy: 1.3760439998231624
Energy: 1.1380459604686546
Energy: 1.162441240007291
Energy: 1.27156959254449
Energy: 1.4283539658319913
Energy: 1.27156959254449
Energy: 1.1212152756696288
Energy: 1.1337640357320093
Energy: 1.3754561077852994
Energy: 1.1337640357320093
Energy: 1.191293727811526
Energy: 1.133010052411395
Energy: 1.3754773394244948
Energy: 1.1330100524086946
Energy: 1.1873608505023103
Energy: 1.1848644503204344
Energy: 1.3752777182283387
Energy: 1.1848644503163834
Energy: 1.312742611811888
Energy: 1.1346750213332668
Energy: 1.42317463564417
Energy: 1.1346750213265153
Energy: 1.377354921804073
Energy: 1.1328560028943933
Energy: 1.37758653501614
Energy: 1.1328560028943933
Energy: 1.2460291414312576
Energy: 1.2346337337331381
Energy: 1.377227511947591
Energy: 1.2346337337344884
Energy: 1.2952088585219657
Energy: 1.2372284572105088
Energy: 1.2894915677590293
Energy: 1.2372284572105088
Energy: 1.384154467701969
Energy: 1.2344883968018927
Energy: 1.2505245123798348
Energy: 1.2344883968018927
Energy: 1.3927481177951049
Energy: 1.13243375702666
Energy: 1.3695827374078837
Energy: 1.1324337570239595
Energy: 1.3840716935078783
Energy: 1.1354115610780533
Energy: 1.3120186481717122
Energy: 1.1354115610753526

minimum gb energy = 1.1212152756696288 eV
minimum distance =  2.28708307594549 Angstroms
sigma value = 53


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

Energy: 1.000981128836065
Energy: 1.017907782209255
Energy: 1.0348232275063907
Energy: 1.5489304835207323
Energy: 1.0030528220794004
Energy: 1.0306022454879957
Energy: 1.0424376036298126
Energy: 1.03060224549174
Energy: 1.354392009852712
Energy: 1.0497058908572716
Energy: 1.030531883148953
Energy: 1.0497058908569536
Energy: 1.2039666555607278
Energy: 1.0546386010173614
Energy: 1.036224715433742
Energy: 1.054638601016443
Energy: 1.2050050749743269
Energy: 1.0333855022068756
Energy: 1.0426723193346352
Energy: 1.0333855022065934
Energy: 1.200556521748178
Energy: 1.053383194986472
Energy: 1.2663075707615141
Energy: 1.053383194986472
Energy: 1.2650720282984789
Energy: 1.0520541716135672
Energy: 1.003160318745792
Energy: 1.0520541716095047
Energy: 1.037331311331203
Energy: 1.0345839573157654
Energy: 1.0032100477267156
Energy: 1.0345839573157654
Energy: 1.0351548503927055
Energy: 1.0514005913773685
Energy: 1.266395601331613
Energy: 1.0514005913761322
Energy: 1.0386049048768893
Energy: 1.0545977732022507
Energy: 1.199792670409668
Energy: 1.0545977732010143
Energy: 1.036760663054409
Energy: 1.0310531922269743
Energy: 1.204912018855209
Energy: 1.0310531922263737
Energy: 1.355695197578255
Energy: 1.1388281433925587
Energy: 1.204067798425606
Energy: 1.138828143393477
Energy: 1.0032041799055784
Energy: 1.050397700827844
Energy: 1.3545310045275578
Energy: 1.050397700827526

minimum gb energy = 1.000981128836065 eV
minimum distance =  2.29771285508428 Angstroms
sigma value = 9


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

Energy: 1.7127682647619982
Energy: 1.3073311004016681
Energy: 1.3379107779181638
Energy: 1.314180329267881
Energy: 1.5300751549754272
Energy: 1.2621423639284852
Energy: 1.3742164668919676
Energy: 1.2621423639273348
Energy: 1.241864988360441
Energy: 1.2212525215015912
Energy: 1.263940427442076
Energy: 1.2212525215027419
Energy: 1.2386438063727594
Energy: 1.2207102537578836
Energy: 1.2397292120551524
Energy: 1.2207102537578836
Energy: 1.2147320319929844
Energy: 1.2202331682579732
Energy: 1.24120111346503
Energy: 1.2202331682579732
Energy: 1.329541055054826
Energy: 1.2631784273237727
Energy: 1.470919797243809
Energy: 1.2631784273249236
Energy: 1.404144015243309
Energy: 1.3755845358115013
Energy: 1.5959670583854046
Energy: 1.3755845358011467
Energy: 1.4812322835231777
Energy: 1.2803064930671295
Energy: 1.5895985294924504
Energy: 1.2803064930498715
Energy: 1.3921366243628148
Energy: 1.2352589020062361
Energy: 1.3166931920131686
Energy: 1.2352589020085372
Energy: 1.2606554603025124
Energy: 1.2675422003021055
Energy: 1.1669665324977623
Energy: 1.267542200303256
Energy: 1.3907005089848947
Energy: 1.2299883133774125
Energy: 1.1645692362604727
Energy: 1.2299883133774125
Energy: 1.3572291351935617
Energy: 1.275040347915572
Energy: 1.2210873735406906
Energy: 1.2750403479144214
Energy: 1.5961727745893772
Energy: 1.3135001475429873
Energy: 1.3123008961460314
Energy: 1.313500147544138
Energy: 1.596668567586466
Energy: 1.3116081819450973
Energy: 1.5277258414714237
Energy: 1.3116081819416456
Energy: 1.3998096485602014
Energy: 1.274690115644282
Energy: 1.5102171423965545
Energy: 1.274690115644282
Energy: 1.2745364655482936
Energy: 1.306429744801875
Energy: 1.4747695461224826
Energy: 1.306429744801875
Energy: 1.1797727707272667
Energy: 1.1832489109433626
Energy: 1.5480097123874346
Energy: 1.1832489109433626
Energy: 1.1988036364331802
Energy: 1.2383318460022232
Energy: 1.5395872818972487
Energy: 1.2383318460033739
Energy: 1.234475493672407
Energy: 1.282490484112109
Energy: 1.548529230749205
Energy: 1.2824904841109586
Energy: 1.2339737124672143
Energy: 1.3040169812161522
Energy: 1.5479353704944785
Energy: 1.3040169812161522
Energy: 1.4938903878927081
Energy: 1.2342321716515685
Energy: 1.512196786732256
Energy: 1.2342321716515685
Energy: 1.617987437082606
Energy: 1.2337557269376276
Energy: 1.5046924231393668
Energy: 1.2337557269376276
Energy: 1.6192749134410303
Energy: 1.233795782375002
Energy: 1.2337868257516609
Energy: 1.2337957823761527
Energy: 1.5561377271004897
Energy: 1.2334852945858774
Energy: 1.2215160032144432
Energy: 1.2334852945858774
Energy: 1.5382377162078524
Energy: 1.2664438466680685
Energy: 1.1787518891625979
Energy: 1.2664438466680685
Energy: 1.3687759792729615
Energy: 1.305483551036373
Energy: 1.180067838905644
Energy: 1.3054835510375236
Energy: 1.5506342077448674
Energy: 1.2699056738845584
Energy: 1.4762911630354183
Energy: 1.2699056738857089
Energy: 1.5199392722839764
Energy: 1.3031891283697146
Energy: 1.6076179283930445
Energy: 1.3031891283708652
Energy: 1.314573938454249
Energy: 1.2864347002436363
Energy: 1.6185049779729308
Energy: 1.2864347002505394
Energy: 1.311404436582583
Energy: 1.2977129095839801
Energy: 1.6111869607474325
Energy: 1.2977129095828295
Energy: 1.2137681031881074
Energy: 1.2265397723891283
Energy: 1.3907373002620664
Energy: 1.2265397723868272
Energy: 1.16560081673819
Energy: 1.1665365726829104
Energy: 1.3884978664467913
Energy: 1.1665365726829104
Energy: 1.2668045339358207
Energy: 1.2684575782033312
Energy: 1.390662993763175
Energy: 1.2684575782044816
Energy: 1.4587104436910947
Energy: 1.2629184514382474
Energy: 1.5083415318523015
Energy: 1.2629184514382474
Energy: 1.6160283100090944
Energy: 1.388650307920729
Energy: 1.4986581709024995
Energy: 1.388650307920729

minimum gb energy = 1.1645692362604727 eV
minimum distance =  2.24034736617695 Angstroms
sigma value = 73


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

Energy: 1.6994309910321648
Energy: 1.2990191327112952
Energy: 1.3637422758555362
Energy: 1.362215750854049
Energy: 1.5710517080760904
Energy: 1.3259871284280003
Energy: 1.3885069400822867
Energy: 1.3259871284285394
Energy: 1.299117985214382
Energy: 1.2515642605248307
Energy: 1.323252736809748
Energy: 1.2515642605235444
Energy: 1.2938644895998554
Energy: 1.2516243134737153
Energy: 1.2932128714866005
Energy: 1.2516243134751879
Energy: 1.2954441155581828
Energy: 1.2510337901592423
Energy: 1.3277175661794411
Energy: 1.2510337901588688
Energy: 1.3870572304209692
Energy: 1.3299413828501305
Energy: 1.4816968398056165
Energy: 1.3299413828508773
Energy: 1.3902309461843625
Energy: 1.3887145690474392
Energy: 1.5981100901905905
Energy: 1.388714569046713
Energy: 1.56249593560653
Energy: 1.3078570472615108
Energy: 1.6385728800438613
Energy: 1.307857047274102
Energy: 1.507751606368053
Energy: 1.2630939805734602
Energy: 1.3979475161593706
Energy: 1.263093980573647
Energy: 1.3233980490711388
Energy: 1.32072991256203
Energy: 1.1862806244078687
Energy: 1.320729912562756
Energy: 1.5077920211466664
Energy: 1.2719103976887547
Energy: 1.1807249700861204
Energy: 1.2719103976862034
Energy: 1.5262080605356168
Energy: 1.2972001048187984
Energy: 1.2553105519865373
Energy: 1.2972001048209971
Energy: 1.4716604687009918
Energy: 1.2366880186798388
Energy: 1.2366882716946799
Energy: 1.2366880186802123
Energy: 1.4713581885685425
Energy: 1.3325166164984594
Energy: 1.539644099974554
Energy: 1.3325166164970075
Energy: 1.572046767381844
Energy: 1.3047942414876919
Energy: 1.6091238392725493
Energy: 1.304794241487526
Energy: 1.5321730369437565
Energy: 1.3327610018021878
Energy: 1.6298279790255514
Energy: 1.3327610018009226
Energy: 1.236689239130556
Energy: 1.2855322348544882
Energy: 1.621829408669996
Energy: 1.2855322348543012
Energy: 1.2552556728955362
Energy: 1.297068076589025
Energy: 1.5932588901526723
Energy: 1.297068076588838
Energy: 1.1807290741278986
Energy: 1.1841184605848847
Energy: 1.5041757547633652
Energy: 1.1841184605848847
Energy: 1.2278169716760448
Energy: 1.3211701703505998
Energy: 1.4877036912960895
Energy: 1.321170170350973
Energy: 1.3705220836028216
Energy: 1.2702407326026277
Energy: 1.5037917945744848
Energy: 1.2702407326019018
Energy: 1.615863201292289
Energy: 1.312865576260077
Energy: 1.5851690107149612
Energy: 1.312865576260077

minimum gb energy = 1.1807249700861204 eV
minimum distance =  2.26344609558996 Angstroms
sigma value = 7


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

Energy: 2.532395063780754
Energy: 1.3990068587074553
Energy: 1.4649497801754117
Energy: 1.4679336959748779
Energy: 1.6519565512253647
Energy: 1.2964399276404772
Energy: 1.386720600052356
Energy: 1.2964399276417677
Energy: 1.416068083182884
Energy: 1.2849649817377047
Energy: 1.3859949486058185
Energy: 1.2849649817402862
Energy: 1.326840638897539
Energy: 1.292760679310439
Energy: 1.3064475285619779
Energy: 1.2927606793078574
Energy: 1.3331790862023005
Energy: 1.2826502573593663
Energy: 1.333031133662655
Energy: 1.2826502573580756
Energy: 1.4040073499485015
Energy: 1.2837209504042586
Energy: 1.5134347727540058
Energy: 1.2837209504068403
Energy: 1.389428134458433
Energy: 1.478609489990754
Energy: 1.6973518158606118
Energy: 1.4786094899920448
Energy: 1.4904042980326957
Energy: 1.3155377329029856
Energy: 1.6971733414388381
Energy: 1.3155377329120213
Energy: 1.4493983481466752
Energy: 1.3447802526329293
Energy: 1.425325622591374
Energy: 1.3447802526316386
Energy: 1.4990101288743245
Energy: 1.4474806844690806
Energy: 1.2768686111324035
Energy: 1.4474806844690806
Energy: 1.4476770958062168
Energy: 1.2836271129502588
Energy: 1.249966083356604
Energy: 1.2836271129515495
Energy: 1.5448485486337842
Energy: 1.3310377121835708
Energy: 1.3201739317259364
Energy: 1.3310377121835708
Energy: 1.662748924363407
Energy: 1.280524924390203
Energy: 1.2589104481924247
Energy: 1.2805249243914938
Energy: 1.6699900950784972
Energy: 1.3209981074044554
Energy: 1.5045322057207817
Energy: 1.3209981074044554
Energy: 1.5469200238692185
Energy: 1.3418306938726785
Energy: 1.6810810192783185
Energy: 1.3418306938726785
Energy: 1.4736574390488084
Energy: 1.2175255649464654
Energy: 1.7824791529947583
Energy: 1.2175255649451744
Energy: 1.3331630761161877
Energy: 1.2152441339282118
Energy: 1.7918938288590538
Energy: 1.2152441339282118
Energy: 1.4309730823597786
Energy: 1.301810627726875
Energy: 1.4817420728311066
Energy: 1.301810627726875
Energy: 1.3718963522020717
Energy: 1.3054673026155408
Energy: 1.3309081645592142
Energy: 1.3054673026155408
Energy: 1.3744935198627275
Energy: 1.3056719613710106
Energy: 1.3317891490088296
Energy: 1.3056719613723013
Energy: 1.390048421318695
Energy: 1.2083638882581746
Energy: 1.3395398683766488
Energy: 1.208363888256884
Energy: 1.7070644229089882
Energy: 1.416549481222307
Energy: 1.3867207702101136
Energy: 1.4165494812210162
Energy: 1.7013014797774892
Energy: 1.5015391568737348
Energy: 1.5547525526948986
Energy: 1.5015391568737348
Energy: 1.3901597496550286
Energy: 1.2088344338703934
Energy: 1.5292224298006845
Energy: 1.2088344338729748
Energy: 1.341014759556313
Energy: 1.3669126263810092
Energy: 1.4932404870780134
Energy: 1.3669126263797182
Energy: 1.2479660192859978
Energy: 1.2807475079112136
Energy: 1.4831822100365788
Energy: 1.2807475079125044
Energy: 1.3307930114119386
Energy: 1.2563775584789607
Energy: 1.5555709935806326
Energy: 1.256377558619596
Energy: 1.2334029045700245
Energy: 1.23094408679262
Energy: 1.630000479115987
Energy: 1.230944086793911
Energy: 1.2586889423582546
Energy: 1.3089174564745796
Energy: 1.614463495352693
Energy: 1.308917456446212
Energy: 1.5413833912378299
Energy: 1.322147494478017
Energy: 1.6299437363333846
Energy: 1.322147494476726
Energy: 1.6509313505072583
Energy: 1.416008213840537
Energy: 1.6429510041422284
Energy: 1.416008213835374

minimum gb energy = 1.208363888256884 eV
minimum distance =  2.25049059758051 Angstroms
sigma value = 29


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

Energy: 1.6209113729678624
Energy: 1.258858304296506
Energy: 1.3930651892177506
Energy: 1.4748981911306733
Energy: 1.4106099802253436
Energy: 1.2256075505666646
Energy: 1.390363527220114
Energy: 1.2256075505745827
Energy: 1.3595926580338882
Energy: 1.2191711525008497
Energy: 1.2823997521537833
Energy: 1.219171152499526
Energy: 1.2877480187810932
Energy: 1.2170703192530556
Energy: 1.1116431495903734
Energy: 1.2170703192495336
Energy: 1.2908759567255061
Energy: 1.2260142993405128
Energy: 1.2768295583567857
Energy: 1.2260142993440348
Energy: 1.2862859771613973
Energy: 1.2181647008751066
Energy: 1.3404431892468975
Energy: 1.2181647008746819
Energy: 1.3961418882977357
Energy: 1.3919778009577373
Energy: 1.2633411726659602
Energy: 1.3919778009577373
Energy: 1.4366418081626786
Energy: 1.2217488944799326
Energy: 1.340849581743703
Energy: 1.2217488944786086
Energy: 1.4099208374731222
Energy: 1.256365345670013
Energy: 1.4368352927355217
Energy: 1.256365345670013

minimum gb energy = 1.1116431495903734 eV
minimum distance =  2.2550685498027 Angstroms
sigma value = 5


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

Energy: 1.6915188016716787
Energy: 1.569118581417379
Energy: 1.7359368160599877
Energy: 1.6607826385254556
Energy: 1.3035796664685042
Energy: 1.2503075889758932
Energy: 1.5054411808353225
Energy: 1.250307588971016
Energy: 1.1881453311920238
Energy: 1.1961745568822375
Energy: 1.4915129762735835
Energy: 1.1961745568810183
Energy: 1.186496260245881
Energy: 1.249872382587757
Energy: 1.4213962682614463
Energy: 1.2498723825962919
Energy: 1.2307553420363933
Energy: 1.2126736562047464
Energy: 1.4425538309648078
Energy: 1.212673656177922
Energy: 1.2127279100648176
Energy: 1.229217918621374
Energy: 1.4012918947028605
Energy: 1.229217918622593
Energy: 1.2043485984946258
Energy: 1.2837715537362655
Energy: 1.3619842807008522
Energy: 1.2837715537326078
Energy: 1.2052672916718106
Energy: 1.2293618671356243
Energy: 1.3585308067491106
Energy: 1.2293618671356243
Energy: 1.5298194320942708
Energy: 1.2795634068878436
Energy: 1.4013718455703938
Energy: 1.2795634069280801
Energy: 1.4847723313405776
Energy: 1.4300865816035875
Energy: 1.49152404033027
Energy: 1.430086581606026
Energy: 1.5298799034457375
Energy: 1.259483589518189
Energy: 1.5594304843827531
Energy: 1.2594835895169698
Energy: 1.4161697649623048
Energy: 1.2307059320603424
Energy: 1.5493757971818864
Energy: 1.2307059320603424
Energy: 1.3455220897292806
Energy: 1.3375278816195006
Energy: 1.5548917872096981
Energy: 1.3375278813623417
Energy: 1.3967434785884916
Energy: 1.3212580158758038
Energy: 1.2069128196003265
Energy: 1.3212580158758038
Energy: 1.3651258014928904
Energy: 1.2870389008988696
Energy: 1.205439530379208
Energy: 1.287038900900089
Energy: 1.3609138630950426
Energy: 1.2299978494985562
Energy: 1.205365947524465
Energy: 1.2299978494973371
Energy: 1.4431909598691126
Energy: 1.3149314472256999
Energy: 1.2547756770801497
Energy: 1.3149314472256999
Energy: 1.4927887619536246
Energy: 1.1998663641987082
Energy: 1.1888999110946186
Energy: 1.1998663641987082
Energy: 1.4971408064311178
Energy: 1.334715244620231
Energy: 1.187209857898402
Energy: 1.334715244620231
Energy: 1.5107580986883675
Energy: 1.195617988659062
Energy: 1.1904190322826858
Energy: 1.195617988659062
Energy: 1.5180757507019549
Energy: 1.258552776821251
Energy: 1.6183864334857234
Energy: 1.258552776821251
Energy: 1.636863965551157
Energy: 1.4390890006313373
Energy: 1.6215720807407807
Energy: 1.4390890006325565
Energy: 1.5859514835101651
Energy: 1.2127029668927618
Energy: 1.2865003268764927
Energy: 1.2127029669281213
Energy: 1.554726450647612
Energy: 1.235633507902386
Energy: 1.2829052256669036
Energy: 1.2356335079060439
Energy: 1.5536398602258408
Energy: 1.198900634513086
Energy: 1.2322001113145968
Energy: 1.1989006345155246
Energy: 1.3675229652608758
Energy: 1.259385063136688
Energy: 1.3097314721337852
Energy: 1.2593850631379073
Energy: 1.2541857328035677
Energy: 1.2548065826792967
Energy: 1.2620109441490857
Energy: 1.2548065826805157
Energy: 1.2600105534254413
Energy: 1.2514836355039662
Energy: 1.2556107954692195
Energy: 1.2514836355039662
Energy: 1.290469906842096
Energy: 1.281383340156635
Energy: 1.3308554886035897
Energy: 1.2813833401578545
Energy: 1.2521488771627878
Energy: 1.232901706715213
Energy: 1.4853970466945792
Energy: 1.232901706713994
Energy: 1.297415519480748
Energy: 1.2356420194855435
Energy: 1.4871518448902943
Energy: 1.2356420194843245
Energy: 1.2155238930417072
Energy: 1.2090309967824626
Energy: 1.5818604889316754
Energy: 1.2090309967836819
Energy: 1.6867117659361217
Energy: 1.4397334284141186
Energy: 1.5775058709304672
Energy: 1.4397334284214345

minimum gb energy = 1.186496260245881 eV
minimum distance =  2.23384439510083 Angstroms
sigma value = 1


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

Energy: 2.178625028335053
Energy: 1.4193689037944124
Energy: 1.5227901461947404
Energy: 1.6128719258672817
Energy: 1.3244622447384258
Energy: 1.3232404746771789
Energy: 1.3349577344200974
Energy: 1.3232404746771789
Energy: 1.2241627193686921
Energy: 1.2347122361541383
Energy: 1.4180961049176377
Energy: 1.234712236155824
Energy: 1.2204444973219868
Energy: 1.2345359326736884
Energy: 1.2825647017247483
Energy: 1.2345359326753742
Energy: 1.2834539603687802
Energy: 1.2346079084825567
Energy: 1.2564604762061728
Energy: 1.2346079084825567
Energy: 1.2479580925606941
Energy: 1.2328037409157593
Energy: 1.4360794151682603
Energy: 1.2328037409174453
Energy: 1.2273102944871104
Energy: 1.3307572491437976
Energy: 1.4630562504368558
Energy: 1.3307572491437976
Energy: 1.2841460671988483
Energy: 1.2320851597113238
Energy: 1.456196688935657
Energy: 1.2320851597113238
Energy: 1.338772120823384
Energy: 1.3083820275787543
Energy: 1.428142219784207
Energy: 1.3083820275787543
Energy: 1.4581113748469943
Energy: 1.679782565768662
Energy: 1.7262209976627625
Energy: 1.67978256576529
Energy: 1.151934084529136
Energy: 1.427039393348969
Energy: 1.5242693879939595
Energy: 1.427039393348969
Energy: 1.1525037765403023
Energy: 1.1155565457740655
Energy: 1.5504978026505793
Energy: 1.1155565457740655
Energy: 1.1491355908121828
Energy: 1.1165100423318242
Energy: 1.5461532388248143
Energy: 1.1165100423318242
Energy: 1.151847383363888
Energy: 1.1158336933817259
Energy: 1.4666228624296154
Energy: 1.1158336933800401
Energy: 1.2824728162774073
Energy: 1.3215570908931458
Energy: 1.3658132407481374
Energy: 1.3215570908914602
Energy: 1.2827570113151798
Energy: 1.1819106723668424
Energy: 1.3326124499377727
Energy: 1.1819106723668424
Energy: 1.4275185991303523
Energy: 1.1884221857350143
Energy: 1.2799160323152061
Energy: 1.1884221857367
Energy: 1.4376983928781937
Energy: 1.243774409849543
Energy: 1.2452632371562606
Energy: 1.2437744098478571
Energy: 1.447382613224174
Energy: 1.3211273346613808
Energy: 1.266644893114709
Energy: 1.3211273346613808
Energy: 1.4652974318792058
Energy: 1.259648327063484
Energy: 1.2968871977281364
Energy: 1.259648327061798
Energy: 1.402159278904284
Energy: 1.2357130982819142
Energy: 1.4581379291027583
Energy: 1.2357130982819142
Energy: 1.4316470093744933
Energy: 1.23504261338126
Energy: 1.4591312049849812
Energy: 1.23504261338126
Energy: 1.4392317635174179
Energy: 1.2953496755073493
Energy: 1.3636775891454331
Energy: 1.2953496755073493
Energy: 1.396138871180147
Energy: 1.3888656671071513
Energy: 1.4409165722104198
Energy: 1.3888656671122088

minimum gb energy = 1.1155565457740655 eV
minimum distance =  2.22789237333708 Angstroms
sigma value = 17


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

Energy: 1.7830421469718376
Energy: 1.5513029663745537
Energy: 1.7265948128832063
Energy: 1.6818012847794648
Energy: 1.1646900101135274
Energy: 1.2024007283618563
Energy: 1.4528478742969564
Energy: 1.2024007283618563
Energy: 1.1661023719569898
Energy: 1.1613060891612932
Energy: 1.464739160929489
Energy: 1.1613060891602514
Energy: 1.1585394894814054
Energy: 1.1629562658939527
Energy: 1.4711859827757394
Energy: 1.1629562658939527
Energy: 1.163708934288012
Energy: 1.2327247647199508
Energy: 1.313355893905135
Energy: 1.2327247647157829
Energy: 1.2210829989076977
Energy: 1.2046860177857208
Energy: 1.2506889962897711
Energy: 1.2046860177846788
Energy: 1.2298821728548714
Energy: 1.2058785935952299
Energy: 1.2214974223254838
Energy: 1.2058785935952299
Energy: 1.286930360075053
Energy: 1.2079029285703744
Energy: 1.2184964028183816
Energy: 1.2079029285714165
Energy: 1.451720722296329
Energy: 1.1624153750588173
Energy: 1.1560466926897655
Energy: 1.1624153750588173
Energy: 1.4056465664950717
Energy: 1.1654830326878738
Energy: 1.1664738706465623
Energy: 1.165483032669118
Energy: 1.5013688966706171
Energy: 1.1625316343159884
Energy: 1.1631790806245779
Energy: 1.1625316343139043
Energy: 1.468732212092408
Energy: 1.1997368157909185
Energy: 1.505744421519505
Energy: 1.1997368157909185
Energy: 1.6700185924669828
Energy: 1.1975268997971706
Energy: 1.5152234280671795
Energy: 1.1975268997971706
Energy: 1.3668638592689795
Energy: 1.278373341241544
Energy: 1.162154760119298
Energy: 1.278373341247796
Energy: 1.4572735280991103
Energy: 1.1641161133505369
Energy: 1.2964448634984342
Energy: 1.1641161133484528
Energy: 1.6023116674573068
Energy: 1.1635014531659233
Energy: 1.250882800941
Energy: 1.1635014531659233
Energy: 1.1984157768408685
Energy: 1.1977163436559668
Energy: 1.337834910550883
Energy: 1.1977163436570089
Energy: 1.199295877314818
Energy: 1.2277739225926456
Energy: 1.3058970910775252
Energy: 1.2277739225916033
Energy: 1.1954939412095136
Energy: 1.1986377164697992
Energy: 1.2952113147892756
Energy: 1.198637716467715
Energy: 1.2342640828692515
Energy: 1.278949632274767
Energy: 1.4242239494639395
Energy: 1.2789496322758094
Energy: 1.173017007723491
Energy: 1.1797307741593972
Energy: 1.407197564569949
Energy: 1.1797307741593972
Energy: 1.1759028017315762
Energy: 1.1809464280763204
Energy: 1.404382549917858
Energy: 1.1809464280763204
Energy: 1.1771965604383345
Energy: 1.3101802274794614
Energy: 1.3096458551138703
Energy: 1.3101802274794614
Energy: 1.515756135942876
Energy: 1.2639469545842217
Energy: 1.3850839097883982
Energy: 1.2639469545237858
Energy: 1.509417283031159
Energy: 1.1809329829863506
Energy: 1.3162965898036958
Energy: 1.1809329829884345
Energy: 1.3125470467434615
Energy: 1.187289684084294
Energy: 1.3777815034454723
Energy: 1.1872896840832519
Energy: 1.4879477391058293
Energy: 1.467145481758939
Energy: 1.5785509963773614
Energy: 1.4671454817610232
Energy: 1.3275245269937481
Energy: 1.1808475843672321
Energy: 1.4270371199061922
Energy: 1.1808475843661899
Energy: 1.4052762600177287
Energy: 1.1810435284812038
Energy: 1.1792560984659541
Energy: 1.1810435284801617
Energy: 1.3610192634895204
Energy: 1.1823706903807232
Energy: 1.1761541068305275
Energy: 1.182370690381765
Energy: 1.3999549643221691
Energy: 1.1827760435398529
Energy: 1.1772493949967453
Energy: 1.182776043538811
Energy: 1.3389971433097172
Energy: 1.2029009789720109
Energy: 1.1876481833769879
Energy: 1.2029009789720109
Energy: 1.3018125269411063
Energy: 1.2018983532246235
Energy: 1.1948846438523328
Energy: 1.2018983532235814
Energy: 1.2938403696130303
Energy: 1.197181054406332
Energy: 1.1918898390886492
Energy: 1.1971810544052899
Energy: 1.2497174684949541
Energy: 1.1626950715236757
Energy: 1.2798762992203574
Energy: 1.1626950715309696
Energy: 1.2685470712297227
Energy: 1.2693585474594768
Energy: 1.5217400012477231
Energy: 1.2693585474594768
Energy: 1.2995066094519852
Energy: 1.1616526388674793
Energy: 1.4530996029708205
Energy: 1.1616526388653954
Energy: 1.4274618696126946
Energy: 1.2010396327451864
Energy: 1.4925714943397652
Energy: 1.2010396327441442

minimum gb energy = 1.1560466926897655 eV
minimum distance =  2.23648668665203 Angstroms
sigma value = 89


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

Energy: 2.0782010241432975
Energy: 1.2396568534030459
Energy: 1.3701062826351327
Energy: 1.3668078437074787
Energy: 1.1301215446356494
Energy: 1.133322795921376
Energy: 1.126821913740574
Energy: 1.1333227958047292
Energy: 1.128139150983037
Energy: 1.1314476965801854
Energy: 1.2314479141292287
Energy: 1.1314476965793798
Energy: 1.1245450814701163
Energy: 1.131665652178444
Energy: 1.2318029626856124
Energy: 1.131665652178444
Energy: 1.1237504539787018
Energy: 1.1550314706547575
Energy: 1.2495733276660497
Energy: 1.1550314706550362
Energy: 1.1827655638612642
Energy: 1.1394606389782074
Energy: 1.240931828508915
Energy: 1.139460638979013
Energy: 1.187512650796079
Energy: 1.1382007454157845
Energy: 1.1839222602833033
Energy: 1.1382007454155365
Energy: 1.2488949535765042
Energy: 1.146332951582429
Energy: 1.1828450454536712
Energy: 1.1463329515816234
Energy: 1.298689128643334
Energy: 1.1320635007336652
Energy: 1.1209460422876245
Energy: 1.132063500733944
Energy: 1.2996374196242815
Energy: 1.1316839744315834
Energy: 1.1228030598904886
Energy: 1.1316839744324199
Energy: 1.3011823619229572
Energy: 1.1329702059258246
Energy: 1.1284790800571758
Energy: 1.132970205926909
Energy: 1.3907941708588665
Energy: 1.130648552641249
Energy: 1.3899084506741672
Energy: 1.1306485526420544
Energy: 1.4129589414393
Energy: 1.1312270906587436
Energy: 1.3893934599159927
Energy: 1.131227090654654
Energy: 1.1276974706493597
Energy: 1.2250641612266686
Energy: 1.128028834906322
Energy: 1.2250641612250266
Energy: 1.1318092257461503
Energy: 1.1316045774812287
Energy: 1.1273657415266098
Energy: 1.1316045774815076

minimum gb energy = 1.1209460422876245 eV
minimum distance =  2.25498855739755 Angstroms
sigma value = 13


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

Energy: 1.3004457077980949
Energy: 1.190759248817549
Energy: 1.3653838713690196
Energy: 1.3975204525950315
Energy: 1.0912510864710414
Energy: 1.1021528483786662
Energy: 1.0978161069769172
Energy: 1.1021528482495884
Energy: 1.0973546496622457
Energy: 1.099211123731414
Energy: 1.2713554814731092
Energy: 1.0992111237325566
Energy: 1.0935216195908857
Energy: 1.0986942296655378
Energy: 1.267515654821043
Energy: 1.0986942296678233
Energy: 1.1011202569408691
Energy: 1.194007692924497
Energy: 1.1744480764726588
Energy: 1.1940076929233543
Energy: 1.2050281648210968
Energy: 1.0830099051090665
Energy: 1.1275645765860896
Energy: 1.0830099051090665
Energy: 1.202796244308433
Energy: 1.0821079515732563
Energy: 1.1147586924923287
Energy: 1.0821079515732563
Energy: 1.2448464362679401
Energy: 1.0842393189863453
Energy: 1.1199143206215112
Energy: 1.0842393190377688
Energy: 1.20074642541414
Energy: 1.0852765927270096
Energy: 1.1187526592961194
Energy: 1.0852765927270096
Energy: 1.2032382800486587
Energy: 1.084642022817675
Energy: 1.1122184610402996
Energy: 1.084642022816532
Energy: 1.1898102438508802
Energy: 1.089318512216832
Energy: 1.1787946949037933
Energy: 1.089318512216832
Energy: 1.0990143019133225
Energy: 1.0996046004247009
Energy: 1.2034007949966674
Energy: 1.0996046004224154
Energy: 1.0970245268685699
Energy: 1.0982341964542306
Energy: 1.2013906276878732
Energy: 1.0982341964542306
Energy: 1.0973670399478452
Energy: 1.2473921604286442
Energy: 1.2040756531535015
Energy: 1.24739216108546
Energy: 1.3998950191953285
Energy: 1.10059781028816
Energy: 1.0964658490542845
Energy: 1.1005978102938736
Energy: 1.4005374603683824
Energy: 1.098539316293275
Energy: 1.0963573716228856
Energy: 1.098539316293275
Energy: 1.0973694489604349
Energy: 1.1033388663356551
Energy: 1.0971020000998841
Energy: 1.1033388663345125
Energy: 1.1003758097292426
Energy: 1.0992290752447769
Energy: 1.2665359399711085
Energy: 1.0992290752425433
Energy: 1.0976025361407953
Energy: 1.0998587806926137
Energy: 1.0907544785340881
Energy: 1.099858780691471
Energy: 1.2010428642381874
Energy: 1.101951057263825
Energy: 1.101321398525266
Energy: 1.1019510572649678
Energy: 1.2681974430421126
Energy: 1.1474963758186378
Energy: 1.0955846235142999
Energy: 1.1474963758209233
Energy: 1.1750735198917373
Energy: 1.194453234525372
Energy: 1.1020402791419506
Energy: 1.194453234525372
Energy: 1.1765237795926802
Energy: 1.0839635621284638
Energy: 1.2010411262002805
Energy: 1.0839635621273211
Energy: 1.1172502443666885
Energy: 1.0840446680996478
Energy: 1.1312240554413169
Energy: 1.0840446680996478
Energy: 1.1174353089826916
Energy: 1.0934785333412653
Energy: 1.1949200246715899
Energy: 1.0934785333412653
Energy: 1.116446258750254
Energy: 1.0889540389677344
Energy: 1.2541211494992233
Energy: 1.0889540389654488
Energy: 1.1138031185488884
Energy: 1.0857245983663515
Energy: 1.2038433300043385
Energy: 1.0857245983652086
Energy: 1.1769158350838635
Energy: 1.0865445967783456
Energy: 1.1997887718699198
Energy: 1.0865445967783456
Energy: 1.175124783969936
Energy: 1.1002523978782157
Energy: 1.099980581988061
Energy: 1.1002523978850205
Energy: 1.199610649176466
Energy: 1.0992317549801942
Energy: 1.0996979135781197
Energy: 1.099231754977909
Energy: 1.1997854172042783
Energy: 1.1036976553727968
Energy: 1.097249131719489
Energy: 1.1036976553727968
Energy: 1.099595532681758
Energy: 1.098716950507318
Energy: 1.1997428690964975
Energy: 1.0987169505096035
Energy: 1.0968779582473152
Energy: 1.1070551557789283
Energy: 1.3994075392403742
Energy: 1.1070551557869275
Energy: 1.095891912981496
Energy: 1.1074832907512233
Energy: 1.0962912259395279
Energy: 1.107483290739796
Energy: 1.0906225117315769
Energy: 1.0987204621864861
Energy: 1.0980721895722954
Energy: 1.098720462183058

minimum gb energy = 1.0821079515732563 eV
minimum distance =  2.26157548120699 Angstroms
sigma value = 37


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

Energy: 1.3186277853090518
Energy: 1.1306298487455293
Energy: 1.2984553399324905
Energy: 1.3346024940126036
Energy: 1.0412306888260359
Energy: 1.0592335825630121
Energy: 1.055822399807962
Energy: 1.0592335825626096
Energy: 1.0552976702858419
Energy: 1.0609119900089352
Energy: 1.2667855991511685
Energy: 1.0609119900085553
Energy: 1.0529170144300892
Energy: 1.0602851161251232
Energy: 1.2669703625875517
Energy: 1.0602851161251232
Energy: 1.1725813220318282
Energy: 1.114506720696134
Energy: 1.1121566634281033
Energy: 1.1145067206959554
Energy: 1.2009405594139722
Energy: 1.0278364791213805
Energy: 1.0601235737285037
Energy: 1.0278364791219838
Energy: 1.127172234774841
Energy: 1.0274115098897412
Energy: 1.056979264362447
Energy: 1.027411509890143
Energy: 1.1749836529922835
Energy: 1.013634452775578
Energy: 1.0654953905541917
Energy: 1.0136344527759575
Energy: 1.1015190520605271
Energy: 1.00704148214135
Energy: 1.0999342858388106
Energy: 1.00704148214135
Energy: 1.1000981594920707
Energy: 1.006253543338276
Energy: 1.1017899721877167
Energy: 1.006253543338075
Energy: 1.1543225646632438
Energy: 1.1013140952372362
Energy: 1.175200771276797
Energy: 1.1013140952417713
Energy: 1.0572385837046088
Energy: 1.0272938511628675
Energy: 1.2019121251141784
Energy: 1.0272938511624652
Energy: 1.059537957298043
Energy: 1.0274767496259847
Energy: 1.2015779102033404
Energy: 1.027476749626387
Energy: 1.1126411484601095
Energy: 1.0487079719951669
Energy: 1.1719768967925137
Energy: 1.048707972048831
Energy: 1.1945621926009162
Energy: 1.0597939095317803
Energy: 1.0541560256333895
Energy: 1.0597939095319815
Energy: 1.1192867771992274
Energy: 1.0603085062295228
Energy: 1.0551331305255043
Energy: 1.0603085062297237
Energy: 1.1849001574341391
Energy: 1.1129984025022917
Energy: 1.0549358249065015
Energy: 1.1129984025024928
Energy: 1.0556885776779312
Energy: 1.0551123944684802
Energy: 1.1792241512234884
Energy: 1.055112394468681
Energy: 1.0553653754794414
Energy: 1.060777586308602
Energy: 1.179571414221084
Energy: 1.060777586308602
Energy: 1.0549878198879417
Energy: 1.0592772237239896
Energy: 1.0552112542245153
Energy: 1.0592772237241905

minimum gb energy = 1.006253543338075 eV
minimum distance =  2.26062017738198 Angstroms
sigma value = 25


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

Energy: 1.3047361022417423
Energy: 1.0406560947851553
Energy: 1.1774183990097824
Energy: 1.200193316190264
Energy: 0.9696521932668661
Energy: 0.9816600891091276
Energy: 1.0214916958656504
Energy: 0.9816600891091276
Energy: 0.9839448508565405
Energy: 0.9895512364089957
Energy: 1.0601858353424531
Energy: 0.9895512364105307
Energy: 0.9835248878594511
Energy: 0.98837581387246
Energy: 1.1243263298782287
Energy: 0.9883758138739953
Energy: 1.0192111705950984
Energy: 0.980864784083652
Energy: 1.0220178923820205
Energy: 0.9808647840790461
Energy: 1.1259667623256608
Energy: 0.9519196547861313
Energy: 0.9737704571189922
Energy: 0.9519196547845961
Energy: 1.1260649966053569
Energy: 0.9523511071820496
Energy: 0.9727380055122932
Energy: 0.9523511071805143
Energy: 1.057361696877425
Energy: 1.0615939429020127
Energy: 1.0715311372593932
Energy: 1.0615939429004775
Energy: 0.9905717761179862
Energy: 0.9177867452822169
Energy: 1.0910618241970367
Energy: 0.9177867452822169
Energy: 0.9909494587857481
Energy: 0.9172961015371385
Energy: 1.0908010907672232
Energy: 0.9172961015371385
Energy: 1.0262141410942398
Energy: 1.0718816209080575
Energy: 1.0640845884258376
Energy: 1.071881620904987
Energy: 1.029818015215783
Energy: 0.9068182770197666
Energy: 1.0323861765264015
Energy: 0.9068182770197666
Energy: 1.0309009886432512
Energy: 0.9092208037086482
Energy: 1.0294682002969067
Energy: 0.9092208037086482
Energy: 1.0642615106680635
Energy: 0.9604349754291359
Energy: 1.0094734939063035
Energy: 0.9604349754245303
Energy: 1.0915102550435507
Energy: 0.918738737283878
Energy: 0.9872535071502693
Energy: 0.918738737283878
Energy: 1.0911061623883425
Energy: 0.9167774530010393
Energy: 0.9900443644787008
Energy: 0.9167774530010393
Energy: 0.9891897834618555
Energy: 0.9570986984245734
Energy: 1.0576886245341053
Energy: 0.9570986984261085
Energy: 0.9714552411237594
Energy: 0.9518794553168645
Energy: 1.0883197807477025
Energy: 0.9518794553153292
Energy: 0.9738215794008688
Energy: 0.9525912371158974
Energy: 1.1806287433453737
Energy: 0.9525912371143623
Energy: 1.0216099672208265
Energy: 0.9863471910588377
Energy: 1.1007089837664306
Energy: 0.9863471910573026
Energy: 1.1784702434539926
Energy: 1.0115644631552274
Energy: 0.9837885098118401
Energy: 1.0115644631567626
Energy: 1.021694697171612
Energy: 0.9895883305450092
Energy: 0.9837471887790663
Energy: 0.9895883305450092
Energy: 1.0214820600216
Energy: 0.9892799396265755
Energy: 1.018119235730201
Energy: 0.9892799396281108
Energy: 0.9868611713489669
Energy: 0.9896354481592302
Energy: 1.1866346298985013
Energy: 0.9896354481576949
Energy: 0.9841886734430022
Energy: 0.9870559041357252
Energy: 0.9842968581613823
Energy: 0.9870559041341899
Energy: 1.2254467844402028
Energy: 0.9885525565274252
Energy: 0.9839351104212888
Energy: 0.9885525565289256

minimum gb energy = 0.9068182770197666 eV
minimum distance =  2.27142218285355 Angstroms
sigma value = 41


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

Energy: 1.248824635688128
Energy: 0.9670705907012056
Energy: 1.0754765966362836
Energy: 1.0947260136486952
Energy: 0.9062269675702789
Energy: 0.9126571372500349
Energy: 0.9042697048666111
Energy: 0.9126571372487762
Energy: 0.9191232744338509
Energy: 0.9228381336083459
Energy: 0.944862482645199
Energy: 0.9228381336083459
Energy: 0.9191621841831404
Energy: 0.9225098865515522
Energy: 0.952512708818137
Energy: 0.9225098865515522
Energy: 0.9514054884094331
Energy: 0.9134586282917581
Energy: 0.9490019917240474
Energy: 0.913458628301827
Energy: 0.9058634770971923
Energy: 0.8910177655972992
Energy: 0.9038484729649054
Energy: 0.8910177655972992
Energy: 0.9090142678693297
Energy: 0.8908124083982264
Energy: 0.9041981695357276
Energy: 0.8908124083982264
Energy: 0.9760018478388895
Energy: 0.9301537700635718
Energy: 0.9315267691802388
Energy: 0.9301537700610546
Energy: 0.9098243447049822
Energy: 0.8552319435853213
Energy: 1.0423206801408205
Energy: 0.8552319435840625
Energy: 0.9061136243021513
Energy: 0.8555651057937543
Energy: 1.0439837927021947
Energy: 0.8555651057937543
Energy: 0.9441681478279063
Energy: 0.9954944727901414
Energy: 0.9830191481441831
Energy: 0.9954944612473265
Energy: 1.016774887471501
Energy: 0.83677409403416
Energy: 0.928683307554151
Energy: 0.8367740940391944
Energy: 0.9950823947528955
Energy: 0.8395861183085105
Energy: 0.9352981471288638
Energy: 0.8395861183085105
Energy: 0.9849859153599957
Energy: 0.8300375048147427
Energy: 0.9655949192984076
Energy: 0.8300375048147427
Energy: 0.9686613132925064
Energy: 0.8304396040333686
Energy: 0.9661552128527922
Energy: 0.8304396040333686
Energy: 0.9707509576620241
Energy: 0.8359427260610189
Energy: 0.968393964922386
Energy: 0.8359427260610189
Energy: 0.9444402562746855
Energy: 0.8387683374873749
Energy: 0.984629407811517
Energy: 0.8387683374886336
Energy: 0.9334329358282895
Energy: 0.8372022333057126
Energy: 1.016554841462234
Energy: 0.8372022333057126
Energy: 0.9508355212534728
Energy: 0.837917546269432
Energy: 1.0184617368609066
Energy: 0.837917546269432
Energy: 0.9789547443550459
Energy: 0.8558827577063901
Energy: 0.934701831107397
Energy: 0.8558827577038729
Energy: 0.9312588798657075
Energy: 0.8557583484716619
Energy: 0.9071523850570569
Energy: 0.8557583484704034
Energy: 0.928756071974558
Energy: 0.8582147082138144
Energy: 0.9382254095504687
Energy: 0.8582147082150728
Energy: 0.9147896261076588
Energy: 0.8905602593159858
Energy: 0.976336725231855
Energy: 0.8905602593159858
Energy: 0.9062363514672882
Energy: 0.8907479229930585
Energy: 1.0163106711027519
Energy: 0.8907479229930585
Energy: 0.948409198844386
Energy: 0.8929466936677913
Energy: 0.9085933933157432
Energy: 0.8929466936715387
Energy: 0.904364173956033
Energy: 0.9229114875599064
Energy: 0.9210923298481123
Energy: 0.922911487561165
Energy: 0.9042048198203064
Energy: 0.9235887509708381
Energy: 0.9256530734501076
Energy: 0.9235887509733555
Energy: 0.94858007716872
Energy: 1.013327043080607
Energy: 0.9210265274532394
Energy: 1.01332704302148
Energy: 0.9230043097549989
Energy: 0.9229561389824766
Energy: 0.9253866749199593
Energy: 0.9229561389862524
Energy: 0.9185586179861249
Energy: 0.9241560147520792
Energy: 0.925452006159453
Energy: 0.9241560147483034
Energy: 0.9215435808886354
Energy: 0.9151149515646257
Energy: 0.9220358825252449
Energy: 0.9151149515935743
Energy: 0.8965433550020657
Energy: 0.9225686140920156
Energy: 0.9229979838634157
Energy: 0.9225686140945328

minimum gb energy = 0.8300375048147427 eV
minimum distance =  2.2643083540553 Angstroms
sigma value = 15


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

Energy: 1.0342061201775479
Energy: 0.9471131231017209
Energy: 1.0347365919056555
Energy: 0.9950392099704255
Energy: 0.8520408505388098
Energy: 0.8564103410844632
Energy: 0.8491853240000207
Energy: 0.8564103411377264
Energy: 0.8629684689648061
Energy: 0.86736511409712
Energy: 0.8434884744991292
Energy: 0.8673651141120475
Energy: 0.8688908879611997
Energy: 0.8663491755214872
Energy: 0.8909837955097681
Energy: 0.8663491755225533
Energy: 0.8736043040674801
Energy: 0.8485176030005119
Energy: 0.8505591615978616
Energy: 0.8485176030580888
Energy: 0.8917645851773082
Energy: 0.8374277633388025
Energy: 0.847651216616438
Energy: 0.8374277633388025
Energy: 0.8787735836216262
Energy: 0.8378413907227122
Energy: 0.85194290544112
Energy: 0.8378413907237784
Energy: 0.8746167936820508
Energy: 0.8970412704059468
Energy: 0.8700276919614137
Energy: 0.897041271062458
Energy: 0.8505001282458702
Energy: 0.8059125567260417
Energy: 0.8711063282650949
Energy: 0.8059125567249754
Energy: 0.8548159964123208
Energy: 0.8053554605192602
Energy: 0.9651028007499033
Energy: 0.8053554605192602
Energy: 0.8780748246752743
Energy: 0.8779521151152864
Energy: 0.9029295549221336
Energy: 0.8779521151270149
Energy: 0.9775785013845862
Energy: 0.784977903714
Energy: 0.8574315030225866
Energy: 0.784977903714
Energy: 0.949704502709074
Energy: 0.787275529944794
Energy: 0.8647800295790345
Energy: 0.787275529944794
Energy: 0.9169732123394361
Energy: 0.7735820251401302
Energy: 0.8889348815699557
Energy: 0.7735820251401302
Energy: 0.8833014827905861
Energy: 0.774465357715424
Energy: 0.9546247655284
Energy: 0.7744653577143576
Energy: 0.886741165400559
Energy: 0.7769214714150302
Energy: 0.9151917713888826
Energy: 0.7769214714160966
Energy: 0.9193347858018865
Energy: 0.7792646678006804
Energy: 0.9155801022379656
Energy: 0.7792646678006804
Energy: 0.9129222070753866
Energy: 0.7697032029701902
Energy: 0.9202249064766115
Energy: 0.7697032029701902
Energy: 0.9160742086737773
Energy: 0.7776547883163368
Energy: 0.9188880031133891
Energy: 0.7776547883163368
Energy: 0.9159904818087823
Energy: 0.7783565259960653
Energy: 0.8917651241555624
Energy: 0.7783565259960653
Energy: 0.9565917965745694
Energy: 0.774013632427007
Energy: 0.8843295792832934
Energy: 0.774013632427007
Energy: 0.955797214466451
Energy: 0.7741617613233805
Energy: 0.915806751610172
Energy: 0.7741617613223143
Energy: 0.8736059835562787
Energy: 0.7856482410553483
Energy: 0.9098426709004863
Energy: 0.7856482410553483
Energy: 0.8574896984371597
Energy: 0.7847128458163013
Energy: 0.9407585756018129
Energy: 0.7847128458163013
Energy: 0.9029921898407822
Energy: 0.9159674142107279
Energy: 0.8785781983534492
Energy: 0.9159674141809218
Energy: 0.9034631213583042
Energy: 0.8061370437002815
Energy: 0.8514264548678065
Energy: 0.8061370437013476
Energy: 0.9413181888173795
Energy: 0.8056760578667778
Energy: 0.8497881895251667
Energy: 0.8056760578667778
Energy: 0.8738932151045097
Energy: 0.8957353421425104
Energy: 0.8770485116419203
Energy: 0.895735342140378
Energy: 0.8476904417118643
Energy: 0.8374064610703907
Energy: 0.8835299397407157
Energy: 0.8374064610693246
Energy: 0.8553822125144056
Energy: 0.837476273815899
Energy: 0.8824274782406718
Energy: 0.8374762738148328
Energy: 0.8480060848309854
Energy: 0.8795696942168593
Energy: 0.8939947218046932
Energy: 0.8795696942264554
Energy: 0.8897582979154557
Energy: 0.8658495376855464
Energy: 0.8614363893381363
Energy: 0.8658495376866125
Energy: 0.8675074378064545
Energy: 0.8660491411391961
Energy: 0.8740648294890271
Energy: 0.8660491411381298
Energy: 0.8486493421301246
Energy: 0.8556982238760875
Energy: 0.8688344364981221
Energy: 0.855698223873955
Energy: 0.9948415537946108
Energy: 0.8683830488137542
Energy: 0.8660477283659275
Energy: 0.8683830488116216
Energy: 0.8627498991054867
Energy: 0.8691193234336831
Energy: 0.848569414520641
Energy: 0.8691193234347494
Energy: 0.8404814614345776
Energy: 0.8678662663212279
Energy: 0.8626054971223883
Energy: 0.8678662663201616

minimum gb energy = 0.7697032029701902 eV
minimum distance =  2.27191707137749 Angstroms
sigma value = 85


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

Energy: 1.106889715790604
Energy: 0.7829771223676876
Energy: 0.8819370417948429
Energy: 0.8949566353162395
Energy: 0.7493673419423086
Energy: 0.7600061661701224
Energy: 0.7903188501401294
Energy: 0.7600061661719718
Energy: 0.7618176122396304
Energy: 0.7636704822651292
Energy: 0.7941145963015863
Energy: 0.7636704822642044
Energy: 0.7622996747658967
Energy: 0.7637485759791817
Energy: 0.7708691714252068
Energy: 0.7637485759717837
Energy: 0.7898387066535991
Energy: 0.7890002799620552
Energy: 0.7901946590324999
Energy: 0.7890002796930793
Energy: 0.7487127648073415
Energy: 0.7454326228296793
Energy: 0.7579717344660329
Energy: 0.7454326228287544
Energy: 0.7476320318342997
Energy: 0.7457207329264806
Energy: 0.7581381974735406
Energy: 0.7457207329274053
Energy: 0.818275516256619
Energy: 0.7910102332671026
Energy: 0.7588709170272079
Energy: 0.7910102332754253
Energy: 0.764204323265313
Energy: 0.7252666651709364
Energy: 0.7570983114258195
Energy: 0.7252666651690871
Energy: 0.7641223089015223
Energy: 0.7248343381250296
Energy: 0.7534151979834648
Energy: 0.7248343381250296
Energy: 0.7854443013417455
Energy: 0.821701629346985
Energy: 0.8183376100546713
Energy: 0.8217016293506629
Energy: 0.9406462888230098
Energy: 0.7134648301552731
Energy: 0.7806847515360198
Energy: 0.7134648301561978
Energy: 0.8310553417728967
Energy: 0.7148113213909182
Energy: 0.795661627304641
Energy: 0.7148113213918428
Energy: 0.8300999091692869
Energy: 0.7086885434712894
Energy: 0.8072835254857169
Energy: 0.7086885434712894
Energy: 0.8051175118222869
Energy: 0.7081166815314958
Energy: 0.9064341734094784
Energy: 0.7081166815314958
Energy: 0.8176445393968815
Energy: 0.7093704552507781
Energy: 0.8415735443298891
Energy: 0.7093704552498534
Energy: 0.8907116160398894
Energy: 0.707261424245762
Energy: 0.8421000930517275
Energy: 0.7072614242448371
Energy: 0.8911913628973335
Energy: 0.7056694701492153
Energy: 0.8307172221330119
Energy: 0.7056694701482906
Energy: 0.8469196466112555
Energy: 0.7060175587949604
Energy: 0.8400599165276362
Energy: 0.7060175587949604
Energy: 0.8467611568330917
Energy: 0.7062533231632444
Energy: 0.8655749084328653
Energy: 0.7062533231632444
Energy: 0.8593850160387564
Energy: 0.7076071917487582
Energy: 0.8600489862818153
Energy: 0.7076071917487582
Energy: 0.8315487655928284
Energy: 0.7050538443817161
Energy: 0.8470820014678895
Energy: 0.7050538443807912
Energy: 0.8357276103074984
Energy: 0.7058869037716667
Energy: 0.8529981859452916
Energy: 0.7058869037716667
Energy: 0.831871830555543
Energy: 0.7061499217908197
Energy: 0.8910581425413491
Energy: 0.7061499217908197
Energy: 0.8422469224738323
Energy: 0.8722656820177174
Energy: 0.8224878630643482
Energy: 0.8722656820962791
Energy: 0.9118431124549842
Energy: 0.7085125424585056
Energy: 0.8062625989303611
Energy: 0.7085125424594304
Energy: 0.8676036161173992
Energy: 0.7085077925088112
Energy: 0.8036464069675209
Energy: 0.7085077925097361
Energy: 0.8059365115560037
Energy: 0.8055114138114254
Energy: 0.8302328539827173
Energy: 0.8055114138049522
Energy: 0.783680562444035
Energy: 0.7133787777655373
Energy: 0.7711750884078531
Energy: 0.7133787777664621
Energy: 0.7804377327580944
Energy: 0.7144007167674881
Energy: 0.7667961074882925
Energy: 0.7144007167674881
Energy: 0.8188701513765401
Energy: 0.7668403430568489
Energy: 0.7670513299960635
Energy: 0.7668403430559241
Energy: 0.845129828868704
Energy: 0.7243727195989996
Energy: 0.7692066909443812
Energy: 0.7243727195989996
Energy: 0.762524434954102
Energy: 0.7261166031106782
Energy: 0.7644075068122016
Energy: 0.7261166031097532
Energy: 0.7585231196886366
Energy: 0.758638034929767
Energy: 0.8181906646086582
Energy: 0.7586380349306917
Energy: 0.7640513248571914
Energy: 0.7447412078869626
Energy: 0.7796657623940945
Energy: 0.7447412078869626
Energy: 0.7589250051183256
Energy: 0.7473830648925662
Energy: 0.7896501890708578
Energy: 0.7473830648916414
Energy: 0.7768677615481655
Energy: 0.792909388728082
Energy: 0.7893740619335128
Energy: 0.792909388728082
Energy: 0.7746006566474337
Energy: 0.7624178044287565
Energy: 0.7637430373948721
Energy: 0.7624178044287565
Energy: 0.7911677796125768
Energy: 0.7645801850402429
Energy: 0.7621033111335159
Energy: 0.7645801850383935
Energy: 0.790240965514242
Energy: 0.7609775495685479
Energy: 0.8152433452436891
Energy: 0.7609775495722471
Energy: 0.7620234920859721
Energy: 0.7630721565938736
Energy: 0.7801484792267294
Energy: 0.7630721565947985
Energy: 0.7619353559652281
Energy: 0.7633992074923367
Energy: 0.762021972789394
Energy: 0.7633992074969604
Energy: 0.7874112582524821
Energy: 0.7627080745431615
Energy: 0.7620778759339885
Energy: 0.7627080745431615

minimum gb energy = 0.7050538443807912 eV
minimum distance =  2.26974155038144 Angstroms
sigma value = 113


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

Energy: 0.014416825660434967
Energy: 0.01455152932080769
Energy: 0.8613561004414756
Energy: 0.10389564827045866
Energy: 0.015224051530872638
Energy: 0.10489372554800587
Energy: 0.09389451991070659
Energy: 0.10489372554800587
Energy: 0.09047270183525749
Energy: 0.10475975505317003
Energy: 0.015065320504201875
Energy: 0.10475975505455233
Energy: 0.09021048392764244
Energy: 0.10596959163650974
Energy: 0.016569940775973936
Energy: 0.10596959163579883
Energy: 0.09191209522040954
Energy: 0.10394249440950803
Energy: 0.0917307951642557
Energy: 0.10394249440812574
Energy: 0.015111761995958518
Energy: 0.10539118088419548
Energy: 0.09013913001889927
Energy: 0.10539118088557778

minimum gb energy = 0.014416825660434967 eV
minimum distance =  2.44469844766865 Angstroms
sigma value = 1