Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003Potential2_Fe__MO_769582363439_005
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]
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: 0.012843835309253584
Energy: 1.636867205871691
Energy: 0.9274358088862844
Energy: 0.012843835307270785
Energy: 0.21459047762541744
Energy: 0.9270624851426341
Energy: 0.21459047762834976
Energy: 1.6368672058697082
Energy: 0.9270624851426341
Energy: 1.2546054728126543
Energy: 0.9270624851426341
Energy: 0.9274358088862844
Energy: 0.21459047762639488
Energy: 0.9270624851426341
Energy: 0.21459047762541744

minimum gb energy = 0.012742793958674226 eV
minimum distance =  2.43124160024749 Angstroms
sigma value = 1


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

Energy: 1.9810529045677387
Energy: 1.005725797939472
Energy: 0.8915274091207301
Energy: 0.8904070476544179
Energy: 1.7414369949627055
Energy: 0.9911251439591435
Energy: 0.990276570311831
Energy: 0.9911251439554856
Energy: 1.74418139708139
Energy: 0.8926358823452134
Energy: 0.8926617951269581
Energy: 0.892635882343994
Energy: 1.74533131679253
Energy: 0.9188547489974926
Energy: 0.8909798371862678
Energy: 0.9188547489962733
Energy: 1.8321060945155465
Energy: 0.8903706553295664
Energy: 1.2821240968050673
Energy: 0.8903706553332243
Energy: 1.755314447549689
Energy: 0.9190432211572356
Energy: 1.2012987085366242
Energy: 0.9190432211596742
Energy: 1.657312356785578
Energy: 0.8922359577228698
Energy: 1.2155538937258956
Energy: 0.8922359577192118
Energy: 1.5017651679149744
Energy: 0.8904379590158117
Energy: 1.1798878647681703
Energy: 0.8904379590182503
Energy: 1.4385893018038651
Energy: 0.8903114993390632
Energy: 1.1796211052382266
Energy: 0.8903114993439404
Energy: 1.5123466197421274
Energy: 0.955584525994899
Energy: 1.509219637775778
Energy: 0.955584525991241
Energy: 1.4987541749170101
Energy: 0.8904741759933895
Energy: 1.4214760540399685
Energy: 0.8904741759897871
Energy: 1.1824072839579092
Energy: 0.890623723672533
Energy: 1.5097578959622917
Energy: 0.890623723672533
Energy: 1.2468614116978773
Energy: 0.8919507191904146
Energy: 1.498497426811819
Energy: 0.8919507191904146
Energy: 1.200422467274825
Energy: 0.9187472507705227
Energy: 1.7545874205872147
Energy: 0.9187472507693034
Energy: 1.2087372329375496
Energy: 0.8907064024400673
Energy: 1.5700526809492743
Energy: 0.8907064024376287
Energy: 0.8905532358835966
Energy: 0.9187966749815458
Energy: 1.7589460051764205
Energy: 0.9187966749791072
Energy: 0.8926114748418162
Energy: 0.8921290569915775
Energy: 1.7627543456823018
Energy: 0.8921290569964546
Energy: 0.9597882680312084
Energy: 0.9239392684679335
Energy: 1.7325396257430925
Energy: 0.9239392684715915
Energy: 0.8910923417294947
Energy: 0.8905229591836249
Energy: 1.6548531959184736
Energy: 0.890522959188502
Energy: 1.035813772044107
Energy: 0.9575868886576958
Energy: 1.7441795735263854
Energy: 0.9575868886589152
Energy: 0.9982881188571185
Energy: 0.8919305906341883
Energy: 1.7437621390037736
Energy: 0.8919305906317497
Energy: 0.9960725767461993
Energy: 0.8901626520703688
Energy: 1.678476548096284
Energy: 0.8901626520715881
Energy: 0.991730534611311
Energy: 0.890104492253363
Energy: 1.4962250954545757
Energy: 0.8901044922387316
Energy: 1.3441107730004311
Energy: 0.8903081180284736
Energy: 1.6816808851703973
Energy: 0.890308118026035
Energy: 1.3700231886150562
Energy: 0.8916427211432645
Energy: 1.6664509587200158
Energy: 0.8916427211396066
Energy: 1.345619253814635
Energy: 1.1402443793495802
Energy: 1.341616718477946
Energy: 1.1402443793507995
Energy: 1.3452077951513515
Energy: 0.957176757723229
Energy: 1.4277106848321373
Energy: 0.9571767577281061
Energy: 1.6790693764675004
Energy: 0.8904390076746936
Energy: 1.340835746173925
Energy: 0.8904390076746936
Energy: 1.5728326318519055
Energy: 0.8903416822345104
Energy: 1.3499509864180284
Energy: 0.890341682236949
Energy: 1.5706292041920458
Energy: 0.8903210955695133
Energy: 0.9964438745792602
Energy: 0.8903210955731712
Energy: 1.6674437853027397
Energy: 0.891050319053286
Energy: 1.0099534202349174
Energy: 0.8910503190545054
Energy: 1.7508577155103124
Energy: 0.8919166018924739
Energy: 1.036969337329976
Energy: 0.891916601893693
Energy: 1.7470602045404404
Energy: 0.8906216020285764
Energy: 0.9826121602940325
Energy: 0.8906216020261378

minimum gb energy = 0.8901044922387316 eV
minimum distance =  2.3138212021484 Angstroms
sigma value = 1


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

Energy: 2.198632834780394
Energy: 1.0848027578163
Energy: 0.9228681187319978
Energy: 0.9237665437506399
Energy: 1.7012607202419916
Energy: 1.002374108998194
Energy: 1.0018160239999292
Energy: 1.002374108998194
Energy: 1.7080396619887892
Energy: 0.9233768092662212
Energy: 0.9230743320903497
Energy: 0.9233768092662212
Energy: 1.6966026720793241
Energy: 1.001946365225016
Energy: 1.0060150366753866
Energy: 1.0019463652236256
Energy: 1.8522417993435112
Energy: 0.9242297282205129
Energy: 1.0812816931668274
Energy: 0.9242297282191227
Energy: 1.6930107632209124
Energy: 1.0020546624651114
Energy: 1.22920596801849
Energy: 1.0020546624651114
Energy: 1.707927720139304
Energy: 0.9262516011682596
Energy: 1.1473687870639975
Energy: 0.9262516011682596
Energy: 1.5350120657271662
Energy: 0.9247031982045306
Energy: 1.1530685635067077
Energy: 0.9247031982059207
Energy: 1.5203868557516536
Energy: 0.9239881950066372
Energy: 1.1645265480527953
Energy: 0.9239881950066372
Energy: 1.5263930691459737
Energy: 1.0026588670145467
Energy: 1.5177333930079653
Energy: 1.0026588670145467
Energy: 1.5280920383952694
Energy: 0.923081011734024
Energy: 1.332760095339848
Energy: 0.923081011734024
Energy: 1.1408150619881963
Energy: 0.9245816227719165
Energy: 1.3330445110164728
Energy: 0.9245816227705261
Energy: 1.1983792681148335
Energy: 0.9236538666922489
Energy: 1.5189240380803204
Energy: 0.9236538666908588
Energy: 1.2161939486070206
Energy: 0.9236055650747601
Energy: 1.709191506590974
Energy: 0.9236055650733698
Energy: 1.0330252570382923
Energy: 0.9242729184389766
Energy: 1.681290477994279
Energy: 0.9242729184389766
Energy: 1.001847879086243
Energy: 1.00257194325519
Energy: 1.7114528395566024
Energy: 1.00257194325519
Energy: 0.9229075360448116
Energy: 0.9233703465174152
Energy: 1.7080571379750356
Energy: 0.9233703465188053
Energy: 1.005227459395098
Energy: 0.9258112426282498
Energy: 1.6952607422736663
Energy: 0.9258112426310302
Energy: 1.0031272404389437
Energy: 0.9244254781073487
Energy: 1.5034741900859543
Energy: 0.9244254781045682
Energy: 1.2222486214966164
Energy: 1.0021445764265746
Energy: 1.6937592984765546
Energy: 1.0021445764279648
Energy: 1.1442041549821054
Energy: 0.9262990759475295
Energy: 1.7079067079063788
Energy: 0.9262990759475295
Energy: 1.149747939554916
Energy: 0.9245155369317092
Energy: 1.526660033887839
Energy: 0.9245155369303188
Energy: 1.152628857374364
Energy: 0.9244161151126713
Energy: 1.5241228778113896
Energy: 0.9244161151140616
Energy: 1.5181270088065897
Energy: 1.0026275351141731
Energy: 1.531274951215506
Energy: 1.0026275351155636
Energy: 1.33009336596501
Energy: 0.924726287869398
Energy: 1.527128268072994
Energy: 0.9247262878652275
Energy: 1.3297944042462502
Energy: 0.9245480856102588
Energy: 1.2164907138758545
Energy: 0.9245480856102588
Energy: 1.5185044478593015
Energy: 0.9233233488398407
Energy: 1.2215875081445473
Energy: 0.923323348841231
Energy: 1.7095723525686084
Energy: 0.9235451486508613
Energy: 1.2161437212058774
Energy: 0.9235451486522517
Energy: 1.7030116159345994
Energy: 0.9244574886799847
Energy: 1.1417497840078916
Energy: 0.9244574886799847

minimum gb energy = 0.9228681187319978 eV
minimum distance =  2.320357055052 Angstroms
sigma value = 25


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

Energy: 2.0818760625473667
Energy: 1.09073008058018
Energy: 0.98715012749885
Energy: 0.9874619494130984
Energy: 1.5956430051440236
Energy: 1.0265541874087658
Energy: 1.1085074856958153
Energy: 1.0265541874087658
Energy: 1.617369277140489
Energy: 0.9902465051550308
Energy: 0.9901581858982981
Energy: 0.9902465051517988
Energy: 1.6178169742126365
Energy: 1.0173531824609008
Energy: 1.0188065604557317
Energy: 1.0173531824625168
Energy: 1.5334502934314325
Energy: 0.9865913101627373
Energy: 1.3975936611917785
Energy: 0.9865913101627373
Energy: 1.6396133942476108
Energy: 1.0174860418797158
Energy: 1.3591217633910735
Energy: 1.017486041881332
Energy: 1.6179478513014471
Energy: 1.1383531182589544
Energy: 1.3415042601330323
Energy: 1.1383531182621864
Energy: 1.3306771112096727
Energy: 1.2280928872506103
Energy: 1.3405644458592316
Energy: 1.2280928872506103
Energy: 1.3409276200431985
Energy: 1.1383816240377334
Energy: 1.3407578139021055
Energy: 1.1383816240377334
Energy: 1.3632808560246608
Energy: 0.987222495447099
Energy: 1.6193469063107477
Energy: 0.987222495448715
Energy: 1.2958735226683016
Energy: 0.986951069295317
Energy: 1.6308331830802576
Energy: 0.9869510692920848
Energy: 1.0183596239760733
Energy: 1.0178793791861975
Energy: 1.6302011017715905
Energy: 1.0178793791861975
Energy: 0.982045918183558
Energy: 0.9864992785006742
Energy: 1.6169581126832688
Energy: 0.9864992785006742
Energy: 1.0673047093935366
Energy: 0.9871008471987218
Energy: 1.6142620889943304
Energy: 0.9871008472003379
Energy: 1.018593262185525
Energy: 0.9876014802384372
Energy: 1.5314744306810655
Energy: 0.9876014802384372
Energy: 1.2361717296853183
Energy: 1.1082914739883112
Energy: 1.6153972440560513
Energy: 1.1082914739899272
Energy: 1.124538631578741
Energy: 0.9869994871447926
Energy: 1.618136642987663
Energy: 0.9869994871447926
Energy: 1.123891959140317
Energy: 0.9874132098968882
Energy: 1.5281482260118675
Energy: 0.9874132098968882
Energy: 1.198011825007707
Energy: 0.987629227303418
Energy: 1.5005715931847323
Energy: 0.9876292272985698
Energy: 1.5469883992319307
Energy: 1.0744764082042866
Energy: 1.5284987380666106
Energy: 1.0744764082042866
Energy: 1.4342116180974558
Energy: 0.9866790196952075
Energy: 1.5280425204524386
Energy: 0.986679019698403
Energy: 1.435021358126339
Energy: 0.9870202568442792
Energy: 1.1667076490002188
Energy: 0.9870202568329666
Energy: 1.5282213451398694
Energy: 0.9888370753104184
Energy: 1.1566994318639439
Energy: 0.9888370753104184
Energy: 1.6174868155741273
Energy: 0.9828016783133632
Energy: 1.2325211622727443
Energy: 0.9828016783117473
Energy: 1.6293756313353
Energy: 0.9872581315789747
Energy: 1.1478237442497294
Energy: 0.9872581315789747

minimum gb energy = 0.982045918183558 eV
minimum distance =  2.30977869635524 Angstroms
sigma value = 9


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

Energy: 2.1753283789608044
Energy: 1.1786851167463483
Energy: 1.186052864417694
Energy: 1.1658184908314804
Energy: 1.5241348131922532
Energy: 1.0895909482041497
Energy: 1.1344473681250842
Energy: 1.089590948206253
Energy: 1.6202652517359946
Energy: 1.0829735624354169
Energy: 1.0822096703580453
Energy: 1.0829735624350445
Energy: 1.621386998513715
Energy: 1.1820046663351742
Energy: 1.1864531975402952
Energy: 1.1820046663357437
Energy: 1.6458145528183885
Energy: 1.0888684684486862
Energy: 1.1946519124625108
Energy: 1.0888684684511838
Energy: 1.6229288268863324
Energy: 1.0829404492119739
Energy: 1.3078890374062366
Energy: 1.0829404492071544
Energy: 1.528145579998624
Energy: 1.0982502471062687
Energy: 1.2166684248277164
Energy: 1.0982502471070357
Energy: 1.4925663670857734
Energy: 1.1808167313372067
Energy: 1.3147284675149482
Energy: 1.1808167313372067
Energy: 1.3813379071188057
Energy: 1.0973425060235906
Energy: 1.2302768045172399
Energy: 1.097342506023963
Energy: 1.373194069312844
Energy: 1.1497266981042649
Energy: 1.4848045931095826
Energy: 1.1497266981036955
Energy: 1.2237886361997545
Energy: 1.0038610669790717
Energy: 1.485217450004807
Energy: 1.0038610669786994
Energy: 1.1322201675249846
Energy: 1.003206208091879
Energy: 1.4850301132436845
Energy: 1.0032062080920763
Energy: 1.1400845027350035
Energy: 1.00475791398957
Energy: 1.5033595795561916
Energy: 1.004757913989767
Energy: 1.3562491069287514
Energy: 1.2412073789741218
Energy: 1.4477679642436307
Energy: 1.2412073789741218
Energy: 1.1317718371811472
Energy: 1.003796721020458
Energy: 1.645598744848317
Energy: 1.0037967210194942
Energy: 1.4786611948094246
Energy: 1.3321378254092
Energy: 1.4475750788149229
Energy: 1.332137825411128
Energy: 1.2166439051648705
Energy: 1.2511831260899648
Energy: 1.4472651109357515
Energy: 1.2511831260893735
Energy: 1.2165584456880836
Energy: 1.2515728474395988
Energy: 1.3934688414498964
Energy: 1.2515728474394237
Energy: 1.3735669822903742
Energy: 1.2430832347447232
Energy: 1.5028902276919183
Energy: 1.2430832347449203
Energy: 1.6208465102822192
Energy: 1.2431637197593155
Energy: 1.3937657567658237
Energy: 1.243163719756424
Energy: 1.5231878189292531
Energy: 1.134571215004408
Energy: 1.3943870653281654
Energy: 1.1345712150103886

minimum gb energy = 1.003206208091879 eV
minimum distance =  2.27094524620001 Angstroms
sigma value = 25


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

Energy: 1.6245742404878891
Energy: 1.1870294765332305
Energy: 1.2489224586642356
Energy: 1.2030916960155804
Energy: 1.3540056666423523
Energy: 1.1319041384901003
Energy: 1.212802866053667
Energy: 1.1319041384901003
Energy: 1.4496393283281508
Energy: 1.117473681888886
Energy: 1.1156556618055855
Energy: 1.1174736818898343
Energy: 1.4351480885583294
Energy: 1.1195579477293756
Energy: 1.1189638262977448
Energy: 1.119557947730324
Energy: 1.3586085802187107
Energy: 1.1165395921575363
Energy: 1.4957658801220237
Energy: 1.1165395921534724
Energy: 1.4568634055358303
Energy: 1.2391073319986443
Energy: 1.4259397361975004
Energy: 1.239107331999105
Energy: 1.449164968372968
Energy: 1.1185444833461642
Energy: 1.5010407211726888
Energy: 1.1185444833449723
Energy: 1.118651122267346
Energy: 1.119396696561273
Energy: 1.496793803378634
Energy: 1.1193966965591324
Energy: 1.1192400801861433
Energy: 1.117387222426337
Energy: 1.4418351337717628
Energy: 1.1173872224268249
Energy: 1.1861523546721588
Energy: 1.1173869558143605
Energy: 1.4401512222295625
Energy: 1.1173869558181537
Energy: 1.1172453593443101
Energy: 1.1333228698184656
Energy: 1.4348673852487386
Energy: 1.1333228698177613
Energy: 1.4478278308952202
Energy: 1.131969751777649
Energy: 1.433421922044066
Energy: 1.131969751777649
Energy: 1.3040512003154714
Energy: 1.1170587291447496
Energy: 1.4422209429515256
Energy: 1.1170587291456977
Energy: 1.302595832452003
Energy: 1.2417766408579827
Energy: 1.3667390976493796
Energy: 1.2417766408572783
Energy: 1.3909434267823693
Energy: 1.2414790626123386
Energy: 1.3626888588359003
Energy: 1.2414790626109027
Energy: 1.4411083899058434
Energy: 1.2413367589019617
Energy: 1.3692760141965588
Energy: 1.241336758901474
Energy: 1.3541703661568247
Energy: 1.249582985741397
Energy: 1.381293323713572
Energy: 1.2495829857416407

minimum gb energy = 1.1156556618055855 eV
minimum distance =  2.30397841744912 Angstroms
sigma value = 17


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

Energy: 1.615064610445264
Energy: 1.2305271297519889
Energy: 1.292330919135909
Energy: 1.1971406903840338
Energy: 1.337475712661426
Energy: 1.1321846699477742
Energy: 1.2963243125255282
Energy: 1.1321846699491245
Energy: 1.3937962482491666
Energy: 1.1328794705106742
Energy: 1.133669584564997
Energy: 1.1328794705106742
Energy: 1.411302858039839
Energy: 1.1233125196261475
Energy: 1.1222304665930074
Energy: 1.1233125196247973
Energy: 1.4077430029332596
Energy: 1.2717441487822285
Energy: 1.4349584856911335
Energy: 1.271744148779528
Energy: 1.3600405640938455
Energy: 1.13840027155645
Energy: 1.3505349962746693
Energy: 1.13840027155645
Energy: 1.38636444148237
Energy: 1.1569869349084931
Energy: 1.4420909586825272
Energy: 1.1569869348895891
Energy: 1.2267622272989183
Energy: 1.2272163958623077
Energy: 1.3860716942294609
Energy: 1.227216395863658
Energy: 1.1550859529300181
Energy: 1.1384114161421013
Energy: 1.366141358283068
Energy: 1.138411416144802
Energy: 1.1472973599976233
Energy: 1.1388919183924606
Energy: 1.366722228104846
Energy: 1.1388919183897601
Energy: 1.1408587567049602
Energy: 1.2378272353342925
Energy: 1.4124980370203986
Energy: 1.2378272353342925
Energy: 1.3616747024837401
Energy: 1.1317695113604072
Energy: 1.3671984321365391
Energy: 1.131769511355006
Energy: 1.4428742824204457
Energy: 1.2579472662364892
Energy: 1.370164287240025
Energy: 1.2579472662364892
Energy: 1.4433432996865327
Energy: 1.1486662400456866
Energy: 1.1488149021496799
Energy: 1.148666240042986
Energy: 1.3450856724551938
Energy: 1.1312408899663406
Energy: 1.1506039260486918
Energy: 1.1312408899690414
Energy: 1.3448399851812378
Energy: 1.1384226011832237
Energy: 1.1793625570992958
Energy: 1.138422601184574
Energy: 1.4223908408895898
Energy: 1.226227745353087
Energy: 1.2275901018220394
Energy: 1.2262277453517367
Energy: 1.4227112098468029
Energy: 1.2262631408446145
Energy: 1.4268365313366658
Energy: 1.2262631408473152
Energy: 1.3446301510783434
Energy: 1.1380459896623247
Energy: 1.3761721677342045
Energy: 1.1380459896609743
Energy: 1.1624412091926353
Energy: 1.2715694807122806
Energy: 1.4283550329967813
Energy: 1.2715694807109303
Energy: 1.1212152766454546
Energy: 1.1337640032113305
Energy: 1.3754540761478227
Energy: 1.1337640032113305
Energy: 1.1912939172303392
Energy: 1.1330100344106313
Energy: 1.3754772074050738
Energy: 1.1330100344106313
Energy: 1.1873640987106284
Energy: 1.184863784338697
Energy: 1.375277400369432
Energy: 1.1848637843359966
Energy: 1.31274291664632
Energy: 1.134972368534479
Energy: 1.4222217415632605
Energy: 1.1349723685331594
Energy: 1.3773548211796536
Energy: 1.1328559963295253
Energy: 1.3775865720420426
Energy: 1.1328559963308757
Energy: 1.246029295603076
Energy: 1.2346336635873072
Energy: 1.3772275116574333
Energy: 1.2346336635886574
Energy: 1.295208820324538
Energy: 1.2372284611731639
Energy: 1.2894915723735956
Energy: 1.2372284611758644
Energy: 1.3841544963071912
Energy: 1.234488400051935
Energy: 1.2505266614034556
Energy: 1.2344884000478842
Energy: 1.392759644869306
Energy: 1.1324337453505362
Energy: 1.3694164842790337
Energy: 1.132433745349186
Energy: 1.384071804862271
Energy: 1.135426077138747
Energy: 1.3120199030709283
Energy: 1.1354260771360467

minimum gb energy = 1.1212152766454546 eV
minimum distance =  2.28704962474338 Angstroms
sigma value = 53


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

Energy: 1.000981128890748
Energy: 1.0179077815915292
Energy: 1.0345297233963302
Energy: 1.5489303247775377
Energy: 1.0030528229397726
Energy: 1.0306022410670534
Energy: 1.0424371696892496
Energy: 1.030602241066135
Energy: 1.3543920107494691
Energy: 1.049705885277356
Energy: 1.030531966198381
Energy: 1.0497058852767203
Energy: 1.2039666590659435
Energy: 1.0546386054373853
Energy: 1.0362247112210046
Energy: 1.0546386054364314
Energy: 1.2050051222930778
Energy: 1.0333855445891893
Energy: 1.0426723166941367
Energy: 1.033385544589507
Energy: 1.200556504574324
Energy: 1.0533833370119623
Energy: 1.266307581001945
Energy: 1.0533833370110441
Energy: 1.2650720284290042
Energy: 1.0520557453702677
Energy: 1.0031603186721751
Energy: 1.0520557453705857
Energy: 1.0373313112221552
Energy: 1.0345842759854316
Energy: 1.0032100479078614
Energy: 1.0345842759845127
Energy: 1.0351548033750635
Energy: 1.0514006326594183
Energy: 1.2663956010360853
Energy: 1.0514006326594183
Energy: 1.0386049241042836
Energy: 1.0545990609097138
Energy: 1.1997926634933422
Energy: 1.0545990609097138
Energy: 1.0367608863244033
Energy: 1.031053208385698
Energy: 1.2049119474145915
Energy: 1.0310532083872521
Energy: 1.3556951975667744
Energy: 1.13882814842342
Energy: 1.2040678027760043
Energy: 1.1388281484231018
Energy: 1.0032041794472384
Energy: 1.0503983688337153
Energy: 1.354531005744676
Energy: 1.050398368832479

minimum gb energy = 1.000981128890748 eV
minimum distance =  2.2977168242481 Angstroms
sigma value = 9


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

Energy: 1.7127696513200912
Energy: 1.3073377043963885
Energy: 1.3378833374817216
Energy: 1.3140626022723951
Energy: 1.5300738671853418
Energy: 1.2621423315620672
Energy: 1.3741984587781306
Energy: 1.2621423315597662
Energy: 1.2417782341288512
Energy: 1.2212474505246356
Energy: 1.2639404247153483
Energy: 1.2212474505177322
Energy: 1.2386438037736893
Energy: 1.2207104377913176
Energy: 1.2397292110465472
Energy: 1.2207104377913176
Energy: 1.2147320363101768
Energy: 1.2202333178250444
Energy: 1.2412002712548995
Energy: 1.2202333178227434
Energy: 1.3295410625829143
Energy: 1.2631784600582068
Energy: 1.4709144647985164
Energy: 1.2631784600582068
Energy: 1.404310583359223
Energy: 1.3750829498697459
Energy: 1.5959671593337907
Energy: 1.3750829498318307
Energy: 1.4812174115276648
Energy: 1.2800738099186153
Energy: 1.5895985446854888
Energy: 1.2800738099427766
Energy: 1.392136684938331
Energy: 1.2352588885106628
Energy: 1.3166930780878416
Energy: 1.2352588885129638
Energy: 1.2606554572353816
Energy: 1.2675422021858533
Energy: 1.1669665345160711
Energy: 1.267542202183552
Energy: 1.3906998576681364
Energy: 1.2299883126321767
Energy: 1.1645692368504381
Energy: 1.229988312631026
Energy: 1.3575288400427157
Energy: 1.2750404103644288
Energy: 1.221088876075733
Energy: 1.2750404103655797
Energy: 1.596172770311251
Energy: 1.3135001493335936
Energy: 1.3123033078907609
Energy: 1.3135001493266905
Energy: 1.596669961881941
Energy: 1.311604137494582
Energy: 1.5277258332935417
Energy: 1.311604137494582
Energy: 1.3998376571927391
Energy: 1.2746901143252403
Energy: 1.5102211156579262
Energy: 1.2746901143240896
Energy: 1.2744748221123676
Energy: 1.306429755801875
Energy: 1.4747695264064098
Energy: 1.3064297558007245
Energy: 1.1797727708399672
Energy: 1.1832489124763526
Energy: 1.5480097355168463
Energy: 1.1832489124786536
Energy: 1.198803640645778
Energy: 1.2383315580625218
Energy: 1.5395872787656881
Energy: 1.238331558064823
Energy: 1.2344754950052552
Energy: 1.2824904942737836
Energy: 1.548514376109903
Energy: 1.282490494270332
Energy: 1.2339737159161674
Energy: 1.3040184643088455
Energy: 1.5479105957120023
Energy: 1.3040184643111465
Energy: 1.4938903861124564
Energy: 1.234232171460631
Energy: 1.5121956817473505
Energy: 1.2342321714617817
Energy: 1.6179874794726856
Energy: 1.2337725201122165
Energy: 1.5046924232279582
Energy: 1.233772520111066
Energy: 1.619279478939869
Energy: 1.2337969859461824
Energy: 1.2337868251110713
Energy: 1.2337969859450317
Energy: 1.5561377371160978
Energy: 1.2334852961338247
Energy: 1.2215160031523664
Energy: 1.2334852961338247
Energy: 1.5382377134650176
Energy: 1.2664438497903727
Energy: 1.1787519006053988
Energy: 1.26644384978462
Energy: 1.3687759805931539
Energy: 1.305483548777706
Energy: 1.180067841718662
Energy: 1.3054835487788563
Energy: 1.5506343039459678
Energy: 1.269904231820281
Energy: 1.4762911783745232
Energy: 1.2699042318237326
Energy: 1.5199400270964685
Energy: 1.3031427565725844
Energy: 1.6076179226118943
Energy: 1.3031427565702833
Energy: 1.3145739708160646
Energy: 1.2863675357679818
Energy: 1.618504967751428
Energy: 1.2863675357944442
Energy: 1.3114044367781224
Energy: 1.2977129099646518
Energy: 1.6111869611453622
Energy: 1.2977129099612001
Energy: 1.2137686980292466
Energy: 1.2265397673036886
Energy: 1.3911186145431245
Energy: 1.2265397673013876
Energy: 1.1656007854539594
Energy: 1.1665355826629498
Energy: 1.3884978826047145
Energy: 1.1665355826675519
Energy: 1.2668045410475701
Energy: 1.268457575152308
Energy: 1.3906628810487913
Energy: 1.2684575751488565
Energy: 1.458710439598153
Energy: 1.2629184381416128
Energy: 1.508341044852904
Energy: 1.2629184381404621
Energy: 1.616027304853622
Energy: 1.3886529124357276
Energy: 1.498512378222698
Energy: 1.3886529124334264

minimum gb energy = 1.1645692368504381 eV
minimum distance =  2.24033577640024 Angstroms
sigma value = 73


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

Energy: 1.6994290539710835
Energy: 1.2990167082640622
Energy: 1.3637669918746338
Energy: 1.36278845149253
Energy: 1.5710542665909522
Energy: 1.3259871252020787
Energy: 1.3885069425278176
Energy: 1.3259871252037174
Energy: 1.2991192097560653
Energy: 1.2515678121947809
Energy: 1.3232527448838554
Energy: 1.2515678121953202
Energy: 1.2938645165162148
Energy: 1.251640880223209
Energy: 1.2932128683674249
Energy: 1.251640880224661
Energy: 1.2954443120207317
Energy: 1.2510333311608257
Energy: 1.327717675143462
Energy: 1.2510333311597264
Energy: 1.3870572368399752
Energy: 1.32994146449346
Energy: 1.4816968420867562
Energy: 1.3299414644943728
Energy: 1.3902309546522225
Energy: 1.3887141868120558
Energy: 1.598112783871303
Energy: 1.3887141868118689
Energy: 1.5624959213433167
Energy: 1.3078571715039513
Energy: 1.6385444677491265
Energy: 1.3078571715044907
Energy: 1.5077515809763389
Energy: 1.263093995872499
Energy: 1.3979475166887025
Energy: 1.2630939958735985
Energy: 1.3233977983552971
Energy: 1.3207299519695084
Energy: 1.1860409089164343
Energy: 1.3207299519680564
Energy: 1.5077940775990981
Energy: 1.271910452250773
Energy: 1.1807249967744051
Energy: 1.271910452253511
Energy: 1.5262080725061784
Energy: 1.2971999190366499
Energy: 1.2553105524012615
Energy: 1.29719991903721
Energy: 1.471660465382015
Energy: 1.2366878713930574
Energy: 1.2366882719889882
Energy: 1.2366878713914187
Energy: 1.4713584550649204
Energy: 1.3325172179504277
Energy: 1.5396443538334885
Energy: 1.332517217950241
Energy: 1.5720462306166805
Energy: 1.3047942405056958
Energy: 1.6091242307932305
Energy: 1.3047942405049697
Energy: 1.5321730370754985
Energy: 1.3327651764861392
Energy: 1.6298281497892997
Energy: 1.3327651764835877
Energy: 1.2366892392263493
Energy: 1.2855254270117744
Energy: 1.6218293866169649
Energy: 1.2855254270134133
Energy: 1.2552556721572965
Energy: 1.297068598976015
Energy: 1.593258907486521
Energy: 1.297068598976928
Energy: 1.1807290628225804
Energy: 1.1841183208612986
Energy: 1.5041757546695838
Energy: 1.1841183208605723
Energy: 1.2278167253205023
Energy: 1.321170146606706
Energy: 1.4877036280910538
Energy: 1.321170146605959
Energy: 1.3705225121520572
Energy: 1.2702407052600313
Energy: 1.5037917911542384
Energy: 1.2702407052605915
Energy: 1.6158631875189953
Energy: 1.312865248433998
Energy: 1.5851689862295295
Energy: 1.31286524843545

minimum gb energy = 1.1807249967744051 eV
minimum distance =  2.26343321793186 Angstroms
sigma value = 7


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

Energy: 2.532395034547432
Energy: 1.3990068690741944
Energy: 1.4651557105150455
Energy: 1.4677819670699161
Energy: 1.6520065544503577
Energy: 1.2964400443491992
Energy: 1.3867205784080048
Energy: 1.2964400443479085
Energy: 1.4160682918401435
Energy: 1.2849649649418997
Energy: 1.3859949554180382
Energy: 1.2849649649418997
Energy: 1.3268406385181988
Energy: 1.2927608448402252
Energy: 1.3064474921100195
Energy: 1.2927608448402252
Energy: 1.3331790916636992
Energy: 1.2826502555247115
Energy: 1.3330341488125272
Energy: 1.28265025552213
Energy: 1.404007350237517
Energy: 1.2837144706744408
Energy: 1.5134347834278308
Energy: 1.2837144706757315
Energy: 1.3894277272603601
Energy: 1.4786102794680094
Energy: 1.697348478966368
Energy: 1.478610279465428
Energy: 1.4904042957335688
Energy: 1.3150595045726654
Energy: 1.6971733313352995
Energy: 1.3150595045675022
Energy: 1.449398311283137
Energy: 1.3447802546353258
Energy: 1.425325621519213
Energy: 1.3447802546314536
Energy: 1.4990101558046176
Energy: 1.447480481475812
Energy: 1.276868625765815
Energy: 1.4474804814719398
Energy: 1.4476771019785075
Energy: 1.2836271684081444
Energy: 1.2499660826508459
Energy: 1.283627168410726
Energy: 1.544848557494868
Energy: 1.3310376549091303
Energy: 1.320173930452503
Energy: 1.331037654905258
Energy: 1.6627489836363718
Energy: 1.280521133732092
Energy: 1.2589104228413313
Energy: 1.2805211337308013
Energy: 1.6699900909227725
Energy: 1.32099810788958
Energy: 1.5045321789285424
Energy: 1.3209981078857076
Energy: 1.546872450721598
Energy: 1.3418306956454058
Energy: 1.681081866366759
Energy: 1.3418306956454058
Energy: 1.4736574447656623
Energy: 1.2175255652535222
Energy: 1.782479101553253
Energy: 1.2175255652522314
Energy: 1.3331630740918774
Energy: 1.2152441338920994
Energy: 1.791894036713806
Energy: 1.2152441338946811
Energy: 1.4309730749346774
Energy: 1.3018106254716049
Energy: 1.4817420644358155
Energy: 1.3018106254728956
Energy: 1.3719033495966926
Energy: 1.3054673012543936
Energy: 1.330908163201939
Energy: 1.3054673012505211
Energy: 1.3745058528668093
Energy: 1.3056718828637404
Energy: 1.331789168986238
Energy: 1.3056718828598972
Energy: 1.3900484200181844
Energy: 1.2083642025826085
Energy: 1.3395398567868166
Energy: 1.2083642025813177
Energy: 1.7070647757793924
Energy: 1.4165502010159727
Energy: 1.386720638822803
Energy: 1.4165502010159727
Energy: 1.7013015130891191
Energy: 1.501539132274838
Energy: 1.5547525458736142
Energy: 1.5015391322800011
Energy: 1.3901581078085543
Energy: 1.2627855905457392
Energy: 1.5292224271403179
Energy: 1.2627855905444483
Energy: 1.3410147470052671
Energy: 1.3669126062964958
Energy: 1.4932381250366493
Energy: 1.3669126062990773
Energy: 1.247966018168689
Energy: 1.2807470285536766
Energy: 1.4831822146000113
Energy: 1.280747028556258
Energy: 1.3307930081670871
Energy: 1.256374843552994
Energy: 1.5555709958797597
Energy: 1.2563748435607385
Energy: 1.233402878207407
Energy: 1.2309441121217706
Energy: 1.630000462385982
Energy: 1.230944112119189
Energy: 1.2586899899640889
Energy: 1.3078523960336619
Energy: 1.6144625944204176
Energy: 1.307852396011719
Energy: 1.5413674405679278
Energy: 1.3221457155002718
Energy: 1.6299437666427106
Energy: 1.32214571549769
Energy: 1.6509286663228204
Energy: 1.4160069963272373
Energy: 1.6429510063265353
Energy: 1.4160069963311097

minimum gb energy = 1.2083642025813177 eV
minimum distance =  2.25030962556828 Angstroms
sigma value = 29


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

Energy: 1.6209115421001283
Energy: 1.2588583053915612
Energy: 1.3930647851277058
Energy: 1.474445411830909
Energy: 1.4106099788631439
Energy: 1.22499131465095
Energy: 1.3903635383213122
Energy: 1.2249913146500757
Energy: 1.3596127695496587
Energy: 1.2191712009009452
Energy: 1.2823996999214686
Energy: 1.219171200900496
Energy: 1.2877475746879588
Energy: 1.217076005179032
Energy: 1.1116431496066341
Energy: 1.2170760051794813
Energy: 1.2908757195965503
Energy: 1.2260146035556942
Energy: 1.2768295820620355
Energy: 1.2260146035565935
Energy: 1.286286023330068
Energy: 1.2181659111199137
Energy: 1.3404432052714235
Energy: 1.218165911119464
Energy: 1.3961418809865929
Energy: 1.3919777793990606
Energy: 1.2633411788943623
Energy: 1.391977779398636
Energy: 1.4366416682412375
Energy: 1.221749764702499
Energy: 1.3408276966540793
Energy: 1.2217497647060211
Energy: 1.4099208372977734
Energy: 1.2563656126671767
Energy: 1.4368360036421537
Energy: 1.256365612665878

minimum gb energy = 1.1116431496066341 eV
minimum distance =  2.25510894136037 Angstroms
sigma value = 5


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

Energy: 1.6915218872069162
Energy: 1.5691183033821212
Energy: 1.735936818036787
Energy: 1.6617618072575489
Energy: 1.3034602159204383
Energy: 1.2503081805143486
Energy: 1.5054411816226507
Energy: 1.250308180520445
Energy: 1.1881417826120584
Energy: 1.1961746408806893
Energy: 1.4915122552285593
Energy: 1.1961746408819085
Energy: 1.1864962222928643
Energy: 1.2498879181451559
Energy: 1.4213962113849603
Energy: 1.2498879181414981
Energy: 1.2307553420083497
Energy: 1.215438918144647
Energy: 1.4425538315047313
Energy: 1.2154389181970209
Energy: 1.2127279150665609
Energy: 1.2292179361262565
Energy: 1.401291909235173
Energy: 1.2292179361262565
Energy: 1.2043485990942941
Energy: 1.2837694022379176
Energy: 1.3619832994667433
Energy: 1.2837694022403563
Energy: 1.2052673020177511
Energy: 1.2293618424730743
Energy: 1.3585308032269183
Energy: 1.229361842470636
Energy: 1.529819110767896
Energy: 1.2795635435813422
Energy: 1.4013718466575005
Energy: 1.2795635436008508
Energy: 1.4847722565167734
Energy: 1.430087583143285
Energy: 1.4915240842502633
Energy: 1.430087583139627
Energy: 1.5298801047425756
Energy: 1.259483861989833
Energy: 1.5594304880670553
Energy: 1.25948386199471
Energy: 1.4161689867385776
Energy: 1.230705946793782
Energy: 1.5493756389580244
Energy: 1.230705946793782
Energy: 1.3455221146563605
Energy: 1.3377178415831905
Energy: 1.5549012788618792
Energy: 1.3377178415880677
Energy: 1.3967433562347686
Energy: 1.3212579159495086
Energy: 1.2069132737542796
Energy: 1.3212579159495086
Energy: 1.3651258004459652
Energy: 1.2870390504976508
Energy: 1.205436899702395
Energy: 1.2870390504988702
Energy: 1.360913796667204
Energy: 1.229997857364353
Energy: 1.2053659582348066
Energy: 1.2299978573606951
Energy: 1.4431909587064102
Energy: 1.31493144709773
Energy: 1.2547756595301536
Energy: 1.3149314470965106
Energy: 1.4927890370699608
Energy: 1.1998661696708062
Energy: 1.188903098837662
Energy: 1.1998661696708062
Energy: 1.4971405488330762
Energy: 1.3347152586358422
Energy: 1.1872098480046511
Energy: 1.3347152586382809
Energy: 1.5107581000935977
Energy: 1.1956158156315142
Energy: 1.1904193288575031
Energy: 1.1956158156315142
Energy: 1.518075756550716
Energy: 1.258552619240896
Energy: 1.6184043736618408
Energy: 1.258552619240896
Energy: 1.636864385908038
Energy: 1.4390889324631306
Energy: 1.6215717900281368
Energy: 1.439088932457034
Energy: 1.5859515085054698
Energy: 1.2127545183503172
Energy: 1.286498679600686
Energy: 1.2127545183466595
Energy: 1.5544938086715485
Energy: 1.2356347083940076
Energy: 1.2887162410819144
Energy: 1.2356347083927883
Energy: 1.5536420087577705
Energy: 1.1989024935340913
Energy: 1.2322001122213595
Energy: 1.198902493532872
Energy: 1.3675230982712916
Energy: 1.2593850620434852
Energy: 1.3097314721082354
Energy: 1.2593850620459237
Energy: 1.2541857662069755
Energy: 1.2548065836201439
Energy: 1.261955487686472
Energy: 1.2548065836201439
Energy: 1.2600032039604006
Energy: 1.2514836353394179
Energy: 1.2556107984063747
Energy: 1.2514836353418564
Energy: 1.290786047496675
Energy: 1.2813833534592398
Energy: 1.330854386626937
Energy: 1.281383353456801
Energy: 1.2521488781767924
Energy: 1.2329018570354806
Energy: 1.4853962108070378
Energy: 1.2329018570354806
Energy: 1.2973889232194287
Energy: 1.2356418786459096
Energy: 1.4871521698241563
Energy: 1.235641878647129
Energy: 1.2159305625487378
Energy: 1.209030735576879
Energy: 1.581860481393756
Energy: 1.2090307355829752
Energy: 1.686712787803299
Energy: 1.4397888999123893
Energy: 1.5775060941245087
Energy: 1.4397888999087314

minimum gb energy = 1.1864962222928643 eV
minimum distance =  2.2350490102015 Angstroms
sigma value = 1


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

Energy: 2.1786250160707423
Energy: 1.4193689059311356
Energy: 1.5227901360183014
Energy: 1.612870821808608
Energy: 1.3214460565306299
Energy: 1.323247845652064
Energy: 1.33495771206866
Energy: 1.3232478456503785
Energy: 1.2241627256727297
Energy: 1.2347122369832024
Energy: 1.418096109150662
Energy: 1.2347122369815164
Energy: 1.220444495507111
Energy: 1.2345359298864877
Energy: 1.2825647025672995
Energy: 1.234535929884802
Energy: 1.2834539635536542
Energy: 1.2346079042276545
Energy: 1.2564599804219143
Energy: 1.2346079042293403
Energy: 1.247958090723902
Energy: 1.2328036982384174
Energy: 1.4360794154479612
Energy: 1.2328036982384174
Energy: 1.2273102923621881
Energy: 1.3307572489988895
Energy: 1.4630562990576126
Energy: 1.3307572489972037
Energy: 1.284146060760018
Energy: 1.2320851541201023
Energy: 1.4561966876364651
Energy: 1.232085154121788
Energy: 1.3387721193994766
Energy: 1.3083820955396424
Energy: 1.4281421914556378
Energy: 1.3083820955396424
Energy: 1.4581113681688473
Energy: 1.6797834795098598
Energy: 1.7262210011863812
Energy: 1.6797834795098598
Energy: 1.151934201837083
Energy: 1.4270393936876753
Energy: 1.5242693887691146
Energy: 1.4270393936876753
Energy: 1.1525037767795807
Energy: 1.115556545853263
Energy: 1.5504977365079393
Energy: 1.115556545851577
Energy: 1.1491355911728054
Energy: 1.1165100131910493
Energy: 1.5461532289651652
Energy: 1.116510013192735
Energy: 1.1518473821624
Energy: 1.1158336923959526
Energy: 1.4666228715916219
Energy: 1.1158336923942669
Energy: 1.2824728174232616
Energy: 1.3215570861798405
Energy: 1.3658132286473175
Energy: 1.3215570861798405
Energy: 1.282757000405694
Energy: 1.1819106862336863
Energy: 1.332612266598414
Energy: 1.1819106862336863
Energy: 1.4275174692994226
Energy: 1.1884221323082678
Energy: 1.2799160335335524
Energy: 1.1884221323082678
Energy: 1.4376983899410276
Energy: 1.243774564541856
Energy: 1.2452632397732268
Energy: 1.243774564541856
Energy: 1.4473826025539673
Energy: 1.3211273366616254
Energy: 1.2666448909257617
Energy: 1.3211273366616254
Energy: 1.465297417971901
Energy: 1.2596485200114123
Energy: 1.2968868976621866
Energy: 1.259648520014784
Energy: 1.4021583348039262
Energy: 1.235713125258992
Energy: 1.4581379536381234
Energy: 1.235713125258992
Energy: 1.4316469917818415
Energy: 1.235042614500179
Energy: 1.4591311971912873
Energy: 1.2350426144984927
Energy: 1.4392316694085165
Energy: 1.2953496746951436
Energy: 1.3636770948474595
Energy: 1.2953496746951436
Energy: 1.3954464706605825
Energy: 1.3888814322988867
Energy: 1.4409166358641434
Energy: 1.3888814323022585

minimum gb energy = 1.115556545851577 eV
minimum distance =  2.22745095616175 Angstroms
sigma value = 17


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

Energy: 1.7830421526534432
Energy: 1.5507283134115715
Energy: 1.72659481312694
Energy: 1.681792138745826
Energy: 1.163140187646687
Energy: 1.2024007298283306
Energy: 1.4528478672082232
Energy: 1.2024007298283306
Energy: 1.1661078692730404
Energy: 1.161306088984248
Energy: 1.4647391428692416
Energy: 1.16130608898529
Energy: 1.1585394810668201
Energy: 1.162987629976302
Energy: 1.4711858650808636
Energy: 1.162987629976302
Energy: 1.1637090531348202
Energy: 1.232724769385037
Energy: 1.3133584799014377
Energy: 1.2327247693839951
Energy: 1.2210829752845855
Energy: 1.2046860153224774
Energy: 1.2506889956304685
Energy: 1.2046860153162255
Energy: 1.2298821694386237
Energy: 1.2058785939254024
Energy: 1.2214979689519634
Energy: 1.2058785939306123
Energy: 1.2869303596053
Energy: 1.207902928227698
Energy: 1.2184964027923315
Energy: 1.2079029282256142
Energy: 1.4517366691689728
Energy: 1.1624155485687189
Energy: 1.1560466939270941
Energy: 1.162415548562467
Energy: 1.405644854350583
Energy: 1.1654034488530318
Energy: 1.1664738726067085
Energy: 1.16540344883636
Energy: 1.50136814692227
Energy: 1.1625303947539978
Energy: 1.1631617781989758
Energy: 1.1625303947539978
Energy: 1.4687322107717662
Energy: 1.1997293126987814
Energy: 1.5045344541693342
Energy: 1.1997293126998234
Energy: 1.67001860001917
Energy: 1.1975267854789469
Energy: 1.5152238129469082
Energy: 1.1975267854851988
Energy: 1.3669222624409925
Energy: 1.2783706861298298
Energy: 1.1605304244143733
Energy: 1.2783706861204518
Energy: 1.4572730326871737
Energy: 1.1641154873911141
Energy: 1.2966712293690235
Energy: 1.1641154873952824
Energy: 1.6023126461295527
Energy: 1.1622464787136677
Energy: 1.2508828927505322
Energy: 1.162246478727214
Energy: 1.1984156662586445
Energy: 1.197716385982004
Energy: 1.3378349106519098
Energy: 1.197716385984088
Energy: 1.1992958793656183
Energy: 1.227773923125913
Energy: 1.3058940101254928
Energy: 1.2277739231207034
Energy: 1.1954939423468578
Energy: 1.1986377014091416
Energy: 1.2952111900712646
Energy: 1.1986377014133096
Energy: 1.2342640851491973
Energy: 1.2789496455366942
Energy: 1.424223949183736
Energy: 1.278949645538778
Energy: 1.1730255405045316
Energy: 1.1797307839415139
Energy: 1.4072004219546785
Energy: 1.179730783942556
Energy: 1.1759024221876986
Energy: 1.1809464977906456
Energy: 1.4043826801320458
Energy: 1.1809464977896038
Energy: 1.177167976987672
Energy: 1.3101802601108623
Energy: 1.3096916399920948
Energy: 1.3101802601129464
Energy: 1.5157548959413027
Energy: 1.2637283205296517
Energy: 1.3850848965669387
Energy: 1.2637283205452816
Energy: 1.5094155579549162
Energy: 1.1809328132156227
Energy: 1.3163415395409679
Energy: 1.1809328132114545
Energy: 1.3123683869521228
Energy: 1.1872896543900573
Energy: 1.3779885462600314
Energy: 1.187289654393183
Energy: 1.487949479916573
Energy: 1.4671464966298766
Energy: 1.583097699489853
Energy: 1.4671464966330028
Energy: 1.3275245174000916
Energy: 1.1808484718424053
Energy: 1.427039898184046
Energy: 1.1808484718403214
Energy: 1.4052762578804896
Energy: 1.1810435363927392
Energy: 1.1792566820066488
Energy: 1.1810435363937812
Energy: 1.3610190999585794
Energy: 1.1823695504626919
Energy: 1.1761541058483465
Energy: 1.1823695504553977
Energy: 1.3999549230001949
Energy: 1.1827760404194385
Energy: 1.1772493945947222
Energy: 1.1827760404183967
Energy: 1.3389971444387256
Energy: 1.2029009770795474
Energy: 1.1876481829551668
Energy: 1.2029009770743373
Energy: 1.3018107030322437
Energy: 1.2018983564731567
Energy: 1.1948846439095955
Energy: 1.2018983564804506
Energy: 1.2938403862099765
Energy: 1.1971810486102008
Energy: 1.1918898500737563
Energy: 1.1971810486112429
Energy: 1.2497174864802245
Energy: 1.162697309786736
Energy: 1.280189285545107
Energy: 1.1626973097950721
Energy: 1.2685470717306884
Energy: 1.269351113053731
Energy: 1.5232140175137319
Energy: 1.2693511130443529
Energy: 1.2973575718464432
Energy: 1.1616611279757438
Energy: 1.4530997832517871
Energy: 1.161661127980954
Energy: 1.427493261436381
Energy: 1.201039666255657
Energy: 1.4925714946418034
Energy: 1.201039666250447

minimum gb energy = 1.1560466939270941 eV
minimum distance =  2.23648731424802 Angstroms
sigma value = 89


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

Energy: 2.078202117655795
Energy: 1.2396568507988577
Energy: 1.370096675286917
Energy: 1.3668573480280488
Energy: 1.1300717037071906
Energy: 1.133267782240746
Energy: 1.1271662070417514
Energy: 1.133267782142936
Energy: 1.1281401829485165
Energy: 1.1314474630900975
Energy: 1.231447916115358
Energy: 1.1314474630914606
Energy: 1.1245450814305833
Energy: 1.131665643953509
Energy: 1.2318036568105546
Energy: 1.1316656439532304
Energy: 1.1237505695087109
Energy: 1.1550345608936428
Energy: 1.249594828184534
Energy: 1.155034560893364
Energy: 1.1827650983398428
Energy: 1.1394606373589047
Energy: 1.2409318399413805
Energy: 1.1394606373569838
Energy: 1.1875126741303557
Energy: 1.1382007485920236
Energy: 1.1839222498400603
Energy: 1.1382007485923025
Energy: 1.2488949075159712
Energy: 1.1463329465081111
Energy: 1.1828452843322959
Energy: 1.146332946515454
Energy: 1.2986891339187554
Energy: 1.1320634802049905
Energy: 1.1209796672366943
Energy: 1.1320634802047114
Energy: 1.301972189942099
Energy: 1.1316853926180928
Energy: 1.1228030849021284
Energy: 1.1316853926254353
Energy: 1.3011827644706722
Energy: 1.1329702107919433
Energy: 1.128479096255224
Energy: 1.1329702107916646
Energy: 1.3907941734061098
Energy: 1.130648358671465
Energy: 1.3899084654191618
Energy: 1.1306483586709384
Energy: 1.412958942924513
Energy: 1.1312147833924837
Energy: 1.3893925944104895
Energy: 1.1312147833938468
Energy: 1.1276904521086313
Energy: 1.2250658181015732
Energy: 1.1280315824535467
Energy: 1.2250658181018519
Energy: 1.1318128283403615
Energy: 1.13160425831268
Energy: 1.1273658131122157
Energy: 1.131604258312432

minimum gb energy = 1.1209796672366943 eV
minimum distance =  2.25498731720629 Angstroms
sigma value = 13


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

Energy: 1.3004457197915635
Energy: 1.190759262220483
Energy: 1.3653838727453975
Energy: 1.3975204493888154
Energy: 1.0908082010892994
Energy: 1.1019974849748333
Energy: 1.0978160430084778
Energy: 1.1019974849714052
Energy: 1.0973617396470334
Energy: 1.0992111161458558
Energy: 1.271355481258326
Energy: 1.0992111161458558
Energy: 1.0935216190700041
Energy: 1.0986945144686333
Energy: 1.267515650880357
Energy: 1.0986945144663478
Energy: 1.1011202226110464
Energy: 1.1940077439617456
Energy: 1.174521115899517
Energy: 1.194007743964031
Energy: 1.2050281589511547
Energy: 1.083008593742948
Energy: 1.127564591061589
Energy: 1.083008593742948
Energy: 1.2025459436601096
Energy: 1.0821079530935678
Energy: 1.1147584463857763
Energy: 1.0821079530947106
Energy: 1.2448464414114113
Energy: 1.0842392482844683
Energy: 1.1199143190235454
Energy: 1.084239248271898
Energy: 1.2007464327073125
Energy: 1.0852765755820701
Energy: 1.1187526594000567
Energy: 1.0852765755809273
Energy: 1.20323823937715
Energy: 1.0846420193703927
Energy: 1.1122184808979991
Energy: 1.0846420193703927
Energy: 1.189810213297345
Energy: 1.0893185251857331
Energy: 1.1787946567132765
Energy: 1.0893185251845905
Energy: 1.0990143180187844
Energy: 1.0996045964577317
Energy: 1.203400239374858
Energy: 1.0996045964588745
Energy: 1.0970321768726894
Energy: 1.0982341913941271
Energy: 1.2013479182355307
Energy: 1.0982341913941271
Energy: 1.0968612196921577
Energy: 1.2473929715598324
Energy: 1.204075218345614
Energy: 1.247392966363847
Energy: 1.399873946121979
Energy: 1.100624461031739
Energy: 1.0964658504660878
Energy: 1.1006244610260254
Energy: 1.4005457112129893
Energy: 1.0985413663639465
Energy: 1.0961400762800648
Energy: 1.0985413663673749
Energy: 1.0970775762902034
Energy: 1.1033388398861137
Energy: 1.0979556046955785
Energy: 1.1033388398861137
Energy: 1.1003748819613137
Energy: 1.099229090767753
Energy: 1.2665366989684852
Energy: 1.099229090767753
Energy: 1.0976031729764926
Energy: 1.0998564021810455
Energy: 1.0908888401055619
Energy: 1.0998564021810455
Energy: 1.2010432580490413
Energy: 1.1019508854115114
Energy: 1.101321010562642
Energy: 1.101950885413797
Energy: 1.2681993735438768
Energy: 1.1474963694712381
Energy: 1.095584623531441
Energy: 1.1474963694712381
Energy: 1.1750739808955823
Energy: 1.1944530781263278
Energy: 1.102040005628708
Energy: 1.1944530781286133
Energy: 1.1765240623980067
Energy: 1.0839635654569528
Energy: 1.201041124221938
Energy: 1.0839635654569528
Energy: 1.1172503209214184
Energy: 1.0840446821707734
Energy: 1.1312241001940162
Energy: 1.0840446821707734
Energy: 1.1174353143134683
Energy: 1.093478533976317
Energy: 1.194920017379612
Energy: 1.093478533976317
Energy: 1.116446255782715
Energy: 1.0889540472671932
Energy: 1.2541211480086232
Energy: 1.0889540472683361
Energy: 1.113803125736929
Energy: 1.085724604221438
Energy: 1.2038433021441366
Energy: 1.0857246042225805
Energy: 1.176915900089443
Energy: 1.0865445956440725
Energy: 1.1997888054104209
Energy: 1.0865445956452153
Energy: 1.1752427949032702
Energy: 1.100248390590136
Energy: 1.0999805842542698
Energy: 1.1002483905832794
Energy: 1.1996106759423906
Energy: 1.099232098200455
Energy: 1.0996979135084644
Energy: 1.099232098197027
Energy: 1.1997264993765788
Energy: 1.1036737984553
Energy: 1.0972546515870873
Energy: 1.1036737984553
Energy: 1.0995955315623405
Energy: 1.0987167759764747
Energy: 1.200155912114757
Energy: 1.0987167759810457
Energy: 1.0968778867561166
Energy: 1.1075821796057235
Energy: 1.3994080594895593
Energy: 1.1075821796091516
Energy: 1.0962470450121182
Energy: 1.1074966932042862
Energy: 1.0962952117662292
Energy: 1.1074966932134283
Energy: 1.0908152434749268
Energy: 1.0987287718560608
Energy: 1.0980574838789283
Energy: 1.0987287718560608

minimum gb energy = 1.0821079530935678 eV
minimum distance =  2.26169256290131 Angstroms
sigma value = 37


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

Energy: 1.3186277849380281
Energy: 1.1306288323082705
Energy: 1.298455346105488
Energy: 1.3346016409071755
Energy: 1.0413328627081195
Energy: 1.059233342754381
Energy: 1.055795853893856
Energy: 1.059233342753197
Energy: 1.0552976294989018
Energy: 1.0609125071902328
Energy: 1.2667852481803026
Energy: 1.060912507190434
Energy: 1.052916999926741
Energy: 1.0602850862850033
Energy: 1.2669704333256488
Energy: 1.0602850862859863
Energy: 1.1725813217266445
Energy: 1.1145057012099213
Energy: 1.1121567103219772
Energy: 1.1145057012057884
Energy: 1.2009397926322072
Energy: 1.027836486515537
Energy: 1.0601235523468397
Energy: 1.027836486515939
Energy: 1.1271709356080495
Energy: 1.0274115060551068
Energy: 1.0569792678832288
Energy: 1.0274115060543247
Energy: 1.1749836616417813
Energy: 1.0136308604106194
Energy: 1.0654953949770083
Energy: 1.0136308604094355
Energy: 1.1015190503437693
Energy: 1.0070415175611918
Energy: 1.0999342921395339
Energy: 1.0070415175617948
Energy: 1.1001150598423683
Energy: 1.0062535421628946
Energy: 1.1017900039169817
Energy: 1.0062535421628946
Energy: 1.1543225652050453
Energy: 1.1013132217726436
Energy: 1.17520077572792
Energy: 1.1013132217722414
Energy: 1.057238600267656
Energy: 1.0272938503526339
Energy: 1.2019126872418724
Energy: 1.0272938503522318
Energy: 1.0595379421241622
Energy: 1.0274767494182768
Energy: 1.2015779069340777
Energy: 1.0274767494180759
Energy: 1.112641272867805
Energy: 1.0486909629298673
Energy: 1.171976897757595
Energy: 1.0486909633065877
Energy: 1.1945574725378043
Energy: 1.0597939073816878
Energy: 1.054156018042316
Energy: 1.0597939073816878
Energy: 1.1192569680078897
Energy: 1.0603085060402686
Energy: 1.0552477031079786
Energy: 1.0603085060404698
Energy: 1.1849001414299845
Energy: 1.1130006547431432
Energy: 1.0549344416351072
Energy: 1.1130006547472764
Energy: 1.0556885044699917
Energy: 1.0551144983324354
Energy: 1.1792240856119398
Energy: 1.0551144983316536
Energy: 1.0553624941814952
Energy: 1.0607681821709425
Energy: 1.1795720300956098
Energy: 1.0607681821717243
Energy: 1.054984216779403
Energy: 1.0592772259078842
Energy: 1.0552114485728532
Energy: 1.0592772259080854

minimum gb energy = 1.0062535421628946 eV
minimum distance =  2.26062082925237 Angstroms
sigma value = 25


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

Energy: 1.3046940526305657
Energy: 1.0406561113950386
Energy: 1.1774183993734906
Energy: 1.2001923388796918
Energy: 0.9696522179959816
Energy: 0.9816618892065961
Energy: 1.0214920329704449
Energy: 0.9816618892065961
Energy: 0.983944897885631
Energy: 0.9896299355752283
Energy: 1.0601923203449022
Energy: 0.9896299355736929
Energy: 0.9835248880543197
Energy: 0.9885640590680009
Energy: 1.124326308087738
Energy: 0.9885640590664656
Energy: 1.019211166494799
Energy: 0.9808259720723809
Energy: 1.0220178921426306
Energy: 0.9808259720877331
Energy: 1.12596637497231
Energy: 0.9519196263066076
Energy: 0.9737703010592914
Energy: 0.9519196263081426
Energy: 1.126064877161299
Energy: 0.9523504256541956
Energy: 0.9727380089619376
Energy: 0.9523504256526605
Energy: 1.0573616932267713
Energy: 1.0615937536916302
Energy: 1.0715311373437957
Energy: 1.0615937536916302
Energy: 0.9905717793742973
Energy: 0.917786742458664
Energy: 1.0910620626861338
Energy: 0.917786742458664
Energy: 0.9909494676277559
Energy: 0.9172961021325257
Energy: 1.090800796990168
Energy: 0.9172961021325257
Energy: 1.0262141412354102
Energy: 1.0430973051337515
Energy: 1.0640845873485654
Energy: 1.0430973102852246
Energy: 1.0298110829515295
Energy: 0.9068182726417314
Energy: 1.0323861713258362
Energy: 0.9068182726401961
Energy: 1.0309010183488596
Energy: 0.9092208052324608
Energy: 1.0294681970022153
Energy: 0.9092208052324608
Energy: 1.064261506491038
Energy: 0.9604331934115959
Energy: 1.0094734920357047
Energy: 0.960433193413131
Energy: 1.0915107629948881
Energy: 0.9187387452420164
Energy: 0.9872535065978336
Energy: 0.9187387452435517
Energy: 1.0911409705821224
Energy: 0.916777461672742
Energy: 0.9900444151400225
Energy: 0.9167774616742773
Energy: 0.989191154988222
Energy: 0.957098932965323
Energy: 1.0576886247919182
Energy: 0.9570989329683934
Energy: 0.9714552476240994
Energy: 0.9518790513137494
Energy: 1.0883193004779224
Energy: 0.9518790513122143
Energy: 0.9738215793701991
Energy: 0.9525913006704342
Energy: 1.1806289188783916
Energy: 0.952591300668899
Energy: 1.0216099104029148
Energy: 0.9863471942645212
Energy: 1.100708971780148
Energy: 0.9863471942645212
Energy: 1.1784563888278434
Energy: 1.0115644675977418
Energy: 0.9837884898858418
Energy: 1.011564467599277
Energy: 1.0216946997128236
Energy: 0.9895882906884071
Energy: 0.9837471981505164
Energy: 0.9895882906884071
Energy: 1.0214820793675632
Energy: 0.9892798991162479
Energy: 1.0181190069470578
Energy: 0.9892798991162479
Energy: 0.986860443740371
Energy: 0.9899328201322297
Energy: 1.1866346341031608
Energy: 0.9899328201337649
Energy: 0.9841886293050143
Energy: 0.9872790084487509
Energy: 0.9842967947771857
Energy: 0.9872790084502863
Energy: 1.2254419643253394
Energy: 0.9885525783669732
Energy: 0.9839351075824188
Energy: 0.9885525783654731

minimum gb energy = 0.9068182726401961 eV
minimum distance =  2.2714229150857 Angstroms
sigma value = 41


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

Energy: 1.2487589834252217
Energy: 0.9670696696442544
Energy: 1.0754749218987585
Energy: 1.09472536075728
Energy: 0.9062269640854169
Energy: 0.912657378794763
Energy: 0.9042697150456711
Energy: 0.9126573787997976
Energy: 0.9191232930659022
Energy: 0.9228380419402251
Energy: 0.9448624263880189
Energy: 0.9228380419402251
Energy: 0.9191621828860644
Energy: 0.9225089180891974
Energy: 0.9525125092175
Energy: 0.9225089180929734
Energy: 0.9514054870406439
Energy: 0.9131474445925832
Energy: 0.9490013645929088
Energy: 0.913147444588836
Energy: 0.9058636581790263
Energy: 0.8910179844690856
Energy: 0.9038484756445871
Energy: 0.8910179844690856
Energy: 0.909014029560369
Energy: 0.8908123963257569
Energy: 0.9041981690073315
Energy: 0.8908123963270157
Energy: 0.9760017511724324
Energy: 0.9301529076856062
Energy: 0.9315266706606483
Energy: 0.9301529076893821
Energy: 0.9098243337433973
Energy: 0.855231942957522
Energy: 1.0423206789683201
Energy: 0.8552319429587807
Energy: 0.9061136231182948
Energy: 0.8555602722368723
Energy: 1.0439793748524961
Energy: 0.8555602722331249
Energy: 0.9441681512800436
Energy: 0.9957800597430808
Energy: 0.9830191497796877
Energy: 0.9957800580447019
Energy: 1.0166405572580322
Energy: 0.8367741076389548
Energy: 0.9286833115208395
Energy: 0.836774107641472
Energy: 0.9950822211201231
Energy: 0.8395861196181729
Energy: 0.9352981444579926
Energy: 0.8395861196156555
Energy: 0.9849859153058748
Energy: 0.8300376594481153
Energy: 0.9655949148775537
Energy: 0.8300376594493738
Energy: 0.9686612171380828
Energy: 0.8304396035540306
Energy: 0.9661495218760047
Energy: 0.8304396035515133
Energy: 0.9707509722329896
Energy: 0.8359427412899906
Energy: 0.9683939641360854
Energy: 0.8359427412925079
Energy: 0.9444402559589121
Energy: 0.8387680669566718
Energy: 0.98462940796876
Energy: 0.8387680669554132
Energy: 0.933432936407002
Energy: 0.8372022338404017
Energy: 1.016554841918917
Energy: 0.837202233842919
Energy: 0.9508355229959038
Energy: 0.837917441246841
Energy: 1.0184617474790283
Energy: 0.8379174412543927
Energy: 0.9789547451111682
Energy: 0.8558827583102754
Energy: 0.9347018309601945
Energy: 0.8558827583090168
Energy: 0.9314531017763286
Energy: 0.855758349552368
Energy: 0.9071524007225731
Energy: 0.8557583495536264
Energy: 0.9287560435710716
Energy: 0.8582147080867498
Energy: 0.9382257947342889
Energy: 0.8582147080880085
Energy: 0.9147915697869518
Energy: 0.8905599938452348
Energy: 0.9763367608629702
Energy: 0.8905599938464934
Energy: 0.9062367220209875
Energy: 0.8907506975243114
Energy: 1.0163106183656465
Energy: 0.8907506975268287
Energy: 0.9484091927150557
Energy: 0.8929465666792655
Energy: 0.9085936859168188
Energy: 0.8929465666792655
Energy: 0.9043381109910821
Energy: 0.9229114464863872
Energy: 0.9210923462898603
Energy: 0.9229114464838699
Energy: 0.9042048696487452
Energy: 0.9235884540495419
Energy: 0.925653077601729
Energy: 0.9235884540520592
Energy: 0.9485800808485837
Energy: 1.0138277295576812
Energy: 0.9210265444132858
Energy: 1.01382772891229
Energy: 0.9230043191880342
Energy: 0.9229684633663512
Energy: 0.9256002781640156
Energy: 0.9229684633575693
Energy: 0.9185586200896397
Energy: 0.9241383566183645
Energy: 0.9254525027103061
Energy: 0.9241383566171057
Energy: 0.9215430707896257
Energy: 0.9151288028512885
Energy: 0.922035703935671
Energy: 0.9151288028764611
Energy: 0.8966041978542871
Energy: 0.9225681134562198
Energy: 0.9229977129942839
Energy: 0.9225681134562198

minimum gb energy = 0.8300376594481153 eV
minimum distance =  2.26430489496001 Angstroms
sigma value = 15


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

Energy: 1.0341725517616962
Energy: 0.9471131987357697
Energy: 1.0347365955793748
Energy: 0.9950476273868285
Energy: 0.8520408476942837
Energy: 0.8562255252437149
Energy: 0.849185693752809
Energy: 0.8562255252405163
Energy: 0.8629685750925038
Energy: 0.8670537844182666
Energy: 0.8434897355840575
Energy: 0.8670537844193329
Energy: 0.8688908897441903
Energy: 0.8666646758719215
Energy: 0.8909853748391785
Energy: 0.8666646758708552
Energy: 0.8736047106860886
Energy: 0.8573021354608887
Energy: 0.850558859178904
Energy: 0.8573021354321004
Energy: 0.8917645859905076
Energy: 0.8374277558251279
Energy: 0.8476512041565872
Energy: 0.8374277558251279
Energy: 0.8787731635626655
Energy: 0.8378414418793539
Energy: 0.8519429070088275
Energy: 0.8378414418825527
Energy: 0.8746168468434119
Energy: 0.8971180290489095
Energy: 0.870027775990479
Energy: 0.8971180291629485
Energy: 0.85050012785902
Energy: 0.805913270401835
Energy: 0.8711061838743708
Energy: 0.8059132704007689
Energy: 0.8548159901083404
Energy: 0.8053548696854944
Energy: 0.9647913142972441
Energy: 0.8053548696908256
Energy: 0.8780748251538208
Energy: 0.877963940190126
Energy: 0.9029295447216872
Energy: 0.8779639401858611
Energy: 0.9775781833895066
Energy: 0.7849783931488773
Energy: 0.8574315022137006
Energy: 0.7849783931446125
Energy: 0.949700630570599
Energy: 0.7872739066483773
Energy: 0.8647800284589526
Energy: 0.7872739066505097
Energy: 0.9169732121987413
Energy: 0.7735820335458088
Energy: 0.8889348771480773
Energy: 0.7735820335447426
Energy: 0.8833014829376782
Energy: 0.7744653576024513
Energy: 0.9546645939121114
Energy: 0.7744653576067161
Energy: 0.8867411635216559
Energy: 0.7769214717252082
Energy: 0.9151917708154894
Energy: 0.7769214717209434
Energy: 0.9193347867323236
Energy: 0.7792647157813901
Energy: 0.9155801020290802
Energy: 0.7792647157760589
Energy: 0.9129172905036188
Energy: 0.7697032027964419
Energy: 0.9202246576197746
Energy: 0.7697032027964419
Energy: 0.9160741964036196
Energy: 0.7776547883909247
Energy: 0.9188880023790428
Energy: 0.7776547883909247
Energy: 0.9159904692071704
Energy: 0.778356525954482
Energy: 0.8917651216883385
Energy: 0.778356525954482
Energy: 0.9565911301696627
Energy: 0.7740136384837659
Energy: 0.884329574361641
Energy: 0.7740136384826996
Energy: 0.9557972139314425
Energy: 0.7741617544118875
Energy: 0.915806751448201
Energy: 0.7741617544129538
Energy: 0.8736059815206871
Energy: 0.7856482427008912
Energy: 0.9098426594009273
Energy: 0.7856482426998248
Energy: 0.8574896983625717
Energy: 0.7847128458738296
Energy: 0.940758533107716
Energy: 0.7847128458770282
Energy: 0.9029921810024052
Energy: 0.915973537794915
Energy: 0.8785782000362617
Energy: 0.9159735377640428
Energy: 0.9034614189769146
Energy: 0.806137043785532
Energy: 0.8514262647078936
Energy: 0.806137043785532
Energy: 0.9413219507409802
Energy: 0.8056761043361936
Energy: 0.8497881901646666
Energy: 0.8056761043308625
Energy: 0.8738932200816067
Energy: 0.8958124523457395
Energy: 0.877048485015949
Energy: 0.8958124523286797
Energy: 0.8476903425074367
Energy: 0.8374107462807278
Energy: 0.8835299229538817
Energy: 0.8374107462807278
Energy: 0.8547293472300952
Energy: 0.8374762626488119
Energy: 0.8824274984933573
Energy: 0.8374762626498782
Energy: 0.8480058179488318
Energy: 0.8789229451928516
Energy: 0.8939946813600492
Energy: 0.8789229452099113
Energy: 0.8897721139580607
Energy: 0.8658517998954532
Energy: 0.8614363912682191
Energy: 0.8658517998954532
Energy: 0.8675047521228662
Energy: 0.8657766454461582
Energy: 0.8740636711372858
Energy: 0.8657766454290983
Energy: 0.8485485856715494
Energy: 0.855698237596715
Energy: 0.8688320235679211
Energy: 0.8556982375935163
Energy: 0.9948415497415051
Energy: 0.8684528308460657
Energy: 0.8660477569347762
Energy: 0.8684528308449995
Energy: 0.8627510026066568
Energy: 0.869103004445425
Energy: 0.8486030545451579
Energy: 0.8691030044464911
Energy: 0.8404724396364631
Energy: 0.8681015514964343
Energy: 0.8626054977128411
Energy: 0.8681015514932355

minimum gb energy = 0.7697032027964419 eV
minimum distance =  2.26823044563199 Angstroms
sigma value = 85


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

Energy: 1.106889326868672
Energy: 0.7827649494169858
Energy: 0.8819369895900403
Energy: 0.8949281220247439
Energy: 0.7493729099427635
Energy: 0.7600960073693243
Energy: 0.7903188549587031
Energy: 0.7600960073739478
Energy: 0.7618178907816716
Energy: 0.7636781183465996
Energy: 0.7941190597248079
Energy: 0.7636781183484492
Energy: 0.7622996639160037
Energy: 0.7637550880103657
Energy: 0.7708750980894011
Energy: 0.7637550880076125
Energy: 0.789838661348077
Energy: 0.7893073826810758
Energy: 0.7901942530925559
Energy: 0.7893073826431819
Energy: 0.7487123959518572
Energy: 0.7454326262940839
Energy: 0.757966940769229
Energy: 0.7454326262940839
Energy: 0.7476290423669937
Energy: 0.7457207072492642
Energy: 0.7581382479063766
Energy: 0.7457207072511136
Energy: 0.8182755162593932
Energy: 0.7910105023319148
Energy: 0.758870899853922
Energy: 0.7910105023319148
Energy: 0.7642044029895163
Energy: 0.7252586983490746
Energy: 0.7570269685495287
Energy: 0.7252586983481498
Energy: 0.7641222988391794
Energy: 0.7248343324209455
Energy: 0.7534139870305674
Energy: 0.7248343324218702
Energy: 0.7854442993691924
Energy: 0.8217509894044597
Energy: 0.8183376003620599
Energy: 0.8217509894201595
Energy: 0.940646310871258
Energy: 0.7134648346142876
Energy: 0.780684748885941
Energy: 0.7134648346161371
Energy: 0.8310555795562393
Energy: 0.7148113212152787
Energy: 0.7956616139655124
Energy: 0.7148113212116008
Energy: 0.8300999113821697
Energy: 0.7086885041554726
Energy: 0.8072835430139385
Energy: 0.708688504158247
Energy: 0.805117511873127
Energy: 0.7081166761444324
Energy: 0.9064335698394527
Energy: 0.7081166761462819
Energy: 0.8176445451425584
Energy: 0.7093704596709531
Energy: 0.8415735437789909
Energy: 0.7093704596718777
Energy: 0.890711577852687
Energy: 0.7072614197044869
Energy: 0.8421000938078361
Energy: 0.707261419703562
Energy: 0.8911913923994387
Energy: 0.7056694684734016
Energy: 0.8307172126557617
Energy: 0.7056694684743264
Energy: 0.8469196410356484
Energy: 0.7060175621382858
Energy: 0.8400599163779109
Energy: 0.7060175621373612
Energy: 0.8467611575882755
Energy: 0.7062533236975184
Energy: 0.8655749085234486
Energy: 0.7062533236993678
Energy: 0.8593850145043452
Energy: 0.7076071921036938
Energy: 0.8600489393799448
Energy: 0.707607192102769
Energy: 0.8315487657130038
Energy: 0.705053842177156
Energy: 0.8470820012968739
Energy: 0.705053842177156
Energy: 0.835727610261282
Energy: 0.7058868998108607
Energy: 0.8529981845310559
Energy: 0.705886899806237
Energy: 0.8318718256306651
Energy: 0.70614992180839
Energy: 0.8910581428352723
Energy: 0.7061499218111642
Energy: 0.842246922684591
Energy: 0.8724533735236736
Energy: 0.8224878638352529
Energy: 0.8724533737843267
Energy: 0.9118315516049217
Energy: 0.7085125427589231
Energy: 0.8062625987926154
Energy: 0.7085125427570735
Energy: 0.867490745193479
Energy: 0.7085077931882078
Energy: 0.8036464029512721
Energy: 0.7085077931919067
Energy: 0.8059365105965343
Energy: 0.8055114128769243
Energy: 0.8302328537488607
Energy: 0.8055114128769243
Energy: 0.7836805376717697
Energy: 0.713378777792355
Energy: 0.7715951182265535
Energy: 0.7133787777914303
Energy: 0.7804378918663614
Energy: 0.7144007140979894
Energy: 0.7668376130523058
Energy: 0.7144007140979894
Energy: 0.8188701396725572
Energy: 0.7668403153895303
Energy: 0.7670513184723227
Energy: 0.7668403153913798
Energy: 0.8451300958934984
Energy: 0.7243726907660978
Energy: 0.7692066902252416
Energy: 0.724372690768872
Energy: 0.7625253462068651
Energy: 0.7261161455159258
Energy: 0.7644074636520767
Energy: 0.726116145515001
Energy: 0.7585231530563403
Energy: 0.7589099849328286
Energy: 0.8181906724109983
Energy: 0.758909984938377
Energy: 0.764051301715448
Energy: 0.7447412085700371
Energy: 0.8700573767841953
Energy: 0.7447412085700371
Energy: 0.7589227206422182
Energy: 0.7473864744995085
Energy: 0.789650961056289
Energy: 0.747386474500433
Energy: 0.776867021359983
Energy: 0.792910650273755
Energy: 0.7893745721785865
Energy: 0.7929106502746797
Energy: 0.774600411680156
Energy: 0.7624180605657642
Energy: 0.7637432001598076
Energy: 0.7624180605676137
Energy: 0.7911677706150615
Energy: 0.7645800445435621
Energy: 0.7621033346847339
Energy: 0.7645800445444658
Energy: 0.7902409680496942
Energy: 0.7609887606276291
Energy: 0.8152433522575753
Energy: 0.7609887606248549
Energy: 0.7620232422714325
Energy: 0.763073005517554
Energy: 0.7801468377288974
Energy: 0.763073005517554
Energy: 0.761935336709407
Energy: 0.7633992935575031
Energy: 0.762019040864942
Energy: 0.7633992935630516
Energy: 0.7874110540688504
Energy: 0.762708058556707
Energy: 0.7620778710433264
Energy: 0.7627080585557824

minimum gb energy = 0.705053842177156 eV
minimum distance =  2.26974217110108 Angstroms
sigma value = 113


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

Energy: 0.014416825631248607
Energy: 0.014551528261923352
Energy: 0.861356103389456
Energy: 0.10389575779897284
Energy: 0.015224051758083916
Energy: 0.10489371344123474
Energy: 0.09389451949727921
Energy: 0.10489371343985242
Energy: 0.09047270155038438
Energy: 0.1047587540672254
Energy: 0.015065320930109476
Energy: 0.10475875407346552
Energy: 0.09021048256516465
Energy: 0.10596974707556484
Energy: 0.016569940762782807
Energy: 0.10596974707556484
Energy: 0.09191209563940561
Energy: 0.10394251590848178
Energy: 0.09164329226729039
Energy: 0.10394251590571715
Energy: 0.015111762801209823
Energy: 0.10539122837747442
Energy: 0.09013912887597085
Energy: 0.10539122837676353

minimum gb energy = 0.014416825631248607 eV
minimum distance =  2.44469874594033 Angstroms
sigma value = 1