Model name: model_name=EAM_Dynamo_BonnyCastinBullens_2013_FeW__MO_737567242631_000
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=2.855324625968933
cohesive_energy=4.122759316666129
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]
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: 0.012742794229035485
Energy: 0.9274358257460017
Energy: 1.6368671426907588
Energy: 0.012843745762623354
Energy: 0.9274358257460017
Energy: 0.21459047643768572
Energy: 0.9270625035608024
Energy: 0.21459047644061802
Energy: 1.6368671426907588
Energy: 0.9270625035608024
Energy: 1.2545978559018423
Energy: 0.9270625035608024
Energy: 0.012843745762623354
Energy: 0.21459047643866316
Energy: 0.9270625035608024
Energy: 0.21459047643866316

minimum gb energy = 0.012742794229035485 eV
minimum distance =  2.43124148184287 Angstroms
sigma value = 1


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

Energy: 1.9810529979056892
Energy: 0.89034990423461
Energy: 0.8912777028805638
Energy: 1.0057258573311343
Energy: 1.7333885029980798
Energy: 0.9911251839497979
Energy: 0.9902766360795422
Energy: 0.9911251839485787
Energy: 1.744180803578714
Energy: 0.8926358984594693
Energy: 0.8926618297630258
Energy: 0.8926358984606332
Energy: 1.7453290094127636
Energy: 0.9188547917329419
Energy: 0.890980130357876
Energy: 0.9188547917329419
Energy: 1.832106120560451
Energy: 0.8903705963899481
Energy: 1.282220463028804
Energy: 0.8903705963875094
Energy: 1.7553168721158237
Energy: 0.9190432449913832
Energy: 1.2012992169745949
Energy: 0.9190432449926026
Energy: 1.6573126087987156
Energy: 0.8922361505203205
Energy: 1.2155538304046007
Energy: 0.8922361505203205
Energy: 1.501765260435231
Energy: 0.8904385492262878
Energy: 1.1798878946933724
Energy: 0.8904385492262878
Energy: 1.4385643506028374
Energy: 0.8902422555985557
Energy: 1.1795911718093248
Energy: 0.8902422555973364
Energy: 1.512346674159756
Energy: 0.9555845306214479
Energy: 1.5092197173209057
Energy: 0.9555845306202285
Energy: 1.4987544324939646
Energy: 0.8904740123606644
Energy: 1.4214575342232945
Energy: 0.8904740123618835
Energy: 1.1824073274662052
Energy: 0.8907165044202483
Energy: 1.5097584961284463
Energy: 0.890716504422687
Energy: 1.2468614420412818
Energy: 0.8919897720000892
Energy: 1.498497524328953
Energy: 0.8919897719976506
Energy: 1.2004224884430081
Energy: 0.9187472752943734
Energy: 1.7545965714969083
Energy: 0.9187472752955926
Energy: 1.2087366765419072
Energy: 0.8907062246649506
Energy: 1.5699701095858258
Energy: 0.8907062246649506
Energy: 0.8905532523626729
Energy: 0.9187966948081769
Energy: 1.7589446695598496
Energy: 0.9187966948093962
Energy: 0.8926115036987355
Energy: 0.8921290893667706
Energy: 1.7627533458494622
Energy: 0.8921290893667706
Energy: 0.9597883135906248
Energy: 0.923939365460899
Energy: 1.732539260773345
Energy: 0.9239393654584603
Energy: 0.8910923418569167
Energy: 0.890529154975064
Energy: 1.6548752336709702
Energy: 0.8905291549775026
Energy: 1.0358495413136264
Energy: 0.95758961803539
Energy: 1.7441795523674333
Energy: 0.95758961803539
Energy: 0.9982881415764921
Energy: 0.8919306995473543
Energy: 1.743761901009519
Energy: 0.891930699546135
Energy: 0.9960728809487355
Energy: 0.890162651505558
Energy: 1.6784745193013473
Energy: 0.890162651505558
Energy: 0.9917326951604681
Energy: 0.8901065844457826
Energy: 1.4958189438636318
Energy: 0.8901065843958471
Energy: 1.344110554814093
Energy: 0.890308154121784
Energy: 1.6816819215685355
Energy: 0.8903081541205649
Energy: 1.3700229501973384
Energy: 0.8916421549230145
Energy: 1.666450769444962
Energy: 0.8916421549242338
Energy: 1.3456192660127742
Energy: 1.1402443988483788
Energy: 1.3416164348257094
Energy: 1.1402443988483788
Energy: 1.345208877151137
Energy: 0.9571766647260361
Energy: 1.427638766374874
Energy: 0.9571766647284747
Energy: 1.6790685122210953
Energy: 0.8904392291458866
Energy: 1.3408357805252786
Energy: 0.8904392291471059
Energy: 1.5728320385659897
Energy: 0.8903503484619005
Energy: 1.3499515924144512
Energy: 0.8903503484631199
Energy: 1.5706310573368027
Energy: 0.8903211376885972
Energy: 0.9964515995916591
Energy: 0.8903211376885972
Energy: 1.667445066458406
Energy: 0.8910530646736687
Energy: 1.0099534451489975
Energy: 0.891053064674888
Energy: 1.7463348197048438
Energy: 0.8919169038744306
Energy: 1.03655393397931
Energy: 0.8919169038744306
Energy: 1.7470578988227972
Energy: 0.8906215821355399
Energy: 0.9826126539550665
Energy: 0.8906215821343205

minimum gb energy = 0.8901065843958471 eV
minimum distance =  2.31382147130084 Angstroms
sigma value = 1


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

Energy: 2.1986328254134393
Energy: 0.9238551684219193
Energy: 0.9229584780723822
Energy: 1.0848029025663604
Energy: 1.710627496172551
Energy: 1.0023741707084042
Energy: 1.0018160881330507
Energy: 1.0023741707084042
Energy: 1.7080539607389786
Energy: 0.9233768434171479
Energy: 0.9230743610267884
Energy: 0.9233768434171479
Energy: 1.6965976491302073
Energy: 1.001946431372956
Energy: 1.0060150769563632
Energy: 1.001946431372956
Energy: 1.8522418589497716
Energy: 0.9242137333920815
Energy: 1.0812631796356045
Energy: 0.9242137333920815
Energy: 1.6930102930936284
Energy: 1.0020546505331138
Energy: 1.2292068963223162
Energy: 1.0020546505331138
Energy: 1.7079182574335625
Energy: 0.9262516197922109
Energy: 1.147368704568774
Energy: 0.9262516197908206
Energy: 1.5350080969615143
Energy: 0.924524539873075
Energy: 1.153068387950412
Energy: 0.924524539873075
Energy: 1.5203299192684683
Energy: 0.9239889203210645
Energy: 1.1645337483910165
Energy: 0.9239889203224546
Energy: 1.5263925273105403
Energy: 1.0026589660355003
Energy: 1.5176987006093958
Energy: 1.0026589660368905
Energy: 1.5281015962303415
Energy: 0.9230810399063378
Energy: 1.332761194650363
Energy: 0.9230810399063378
Energy: 1.1412969937637174
Energy: 0.924457053670961
Energy: 1.3330459527865934
Energy: 0.9244570536723511
Energy: 1.1983779003991992
Energy: 0.9236526400250856
Energy: 1.5189220463759259
Energy: 0.9236526400278662
Energy: 1.2161940457990343
Energy: 0.9236056909167119
Energy: 1.7091915380194587
Energy: 0.9236056909167119
Energy: 1.0330247462551185
Energy: 0.9242729446990819
Energy: 1.6815191349600713
Energy: 0.9242729446990819
Energy: 1.0018478952306686
Energy: 1.0025597773687882
Energy: 1.7114533641551695
Energy: 1.0025597773673978
Energy: 0.9229075606992292
Energy: 0.9233703644934176
Energy: 1.7080642474192447
Energy: 0.9233703644934176
Energy: 1.0052273758698083
Energy: 0.9258112428949214
Energy: 1.6952603340021497
Energy: 0.9258112428949214
Energy: 1.0030736821240156
Energy: 0.9244602236327134
Energy: 1.503339420281475
Energy: 0.9244602236327134
Energy: 1.2224465051173383
Energy: 1.0021445962401254
Energy: 1.6937662683191343
Energy: 1.0021445962401254
Energy: 1.1442074319039715
Energy: 0.9262990810504108
Energy: 1.7079067767087348
Energy: 0.9262990810504108
Energy: 1.1497486406592028
Energy: 0.9245143409312303
Energy: 1.5266601154107968
Energy: 0.9245143409270598
Energy: 1.1520940181403814
Energy: 0.9244163678990885
Energy: 1.5208411506568211
Energy: 0.9244163678990885
Energy: 1.5181265499458159
Energy: 1.002627562153938
Energy: 1.5312746863443927
Energy: 1.002627562152548
Energy: 1.3300931639937814
Energy: 0.9247924798150401
Energy: 1.5271273530574305
Energy: 0.9247924798122596
Energy: 1.3297944571896516
Energy: 0.9245482013417932
Energy: 1.216490400622412
Energy: 0.9245482013404029
Energy: 1.5185045639600068
Energy: 0.9233238756755945
Energy: 1.22158757193929
Energy: 0.9233238756769846
Energy: 1.7095722342007618
Energy: 0.9235451913262663
Energy: 1.2161435344433538
Energy: 0.9235451913262663
Energy: 1.7030098995305405
Energy: 0.9244574682608035
Energy: 1.1417511407462873
Energy: 0.9244574682594133

minimum gb energy = 0.9229075606992292 eV
minimum distance =  2.32035658584978 Angstroms
sigma value = 25


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

Energy: 2.0818761135587533
Energy: 0.9877398727814756
Energy: 0.9870992000612783
Energy: 1.0907268765225526
Energy: 1.6142660726687554
Energy: 1.0265542152707177
Energy: 1.108506936471953
Energy: 1.0265542152707177
Energy: 1.6173693150822164
Energy: 0.9902466263651233
Energy: 0.9901582077134141
Energy: 0.9902466263635071
Energy: 1.6178170085146417
Energy: 1.0173533412512
Energy: 1.018806577396032
Energy: 1.0173533412512
Energy: 1.5332353291354242
Energy: 0.9865915805978226
Energy: 1.397656384070898
Energy: 0.9865915805978226
Energy: 1.6396175686260148
Energy: 1.0174846392782149
Energy: 1.3591219286744722
Energy: 1.0174846392782149
Energy: 1.6179473793440693
Energy: 1.1383531109056404
Energy: 1.3415037110964678
Energy: 1.1383531109072567
Energy: 1.3306771338218655
Energy: 1.2280929242222944
Energy: 1.3405644476959133
Energy: 1.2280929242222944
Energy: 1.341327490891489
Energy: 1.1383817077186529
Energy: 1.3407562017973598
Energy: 1.1383817077202691
Energy: 1.3632808887721712
Energy: 0.9872225273179117
Energy: 1.6193500187060494
Energy: 0.9872225273179117
Energy: 1.2958710940763136
Energy: 0.9869509697072815
Energy: 1.630831137329218
Energy: 0.9869509697072815
Energy: 1.0183596497769611
Energy: 1.0178795928677644
Energy: 1.630200858572045
Energy: 1.0178795928677644
Energy: 0.982045946962773
Energy: 0.9864993086005212
Energy: 1.616958163351916
Energy: 0.9864993086005212
Energy: 1.0673047505202025
Energy: 0.987060436820066
Energy: 1.6142633669269446
Energy: 0.987060436820066
Energy: 1.0185935363174723
Energy: 0.98759424924302
Energy: 1.5314877423291606
Energy: 0.9875942492446361
Energy: 1.2361965582837902
Energy: 1.1082914173495573
Energy: 1.6153973886890531
Energy: 1.1082914173495573
Energy: 1.1245389122627436
Energy: 0.98699951504043
Energy: 1.6181750384290594
Energy: 0.9869995150388139
Energy: 1.1238916884882992
Energy: 0.9874132549627355
Energy: 1.528148323889937
Energy: 0.9874132549627355
Energy: 1.1980133772849055
Energy: 0.9876299290840492
Energy: 1.5005720256444621
Energy: 0.987629929080817
Energy: 1.5469884363748418
Energy: 1.0744768738374444
Energy: 1.528500647832457
Energy: 1.0744768738374444
Energy: 1.4342123971937788
Energy: 0.9866790636004067
Energy: 1.5279714556507455
Energy: 0.9866790636004067
Energy: 1.4349895371883639
Energy: 0.9873070335017972
Energy: 1.1667072554778715
Energy: 0.9873070335017972
Energy: 1.5282212133572213
Energy: 0.988835137636553
Energy: 1.1566994030539293
Energy: 0.9888351376397851
Energy: 1.61748679982856
Energy: 0.9828017123744185
Energy: 1.2325212196807196
Energy: 0.9828017123728024
Energy: 1.628946853113032
Energy: 0.9872601427130043
Energy: 1.1478234606752435
Energy: 0.9872601427113882

minimum gb energy = 0.982045946962773 eV
minimum distance =  2.30990084783978 Angstroms
sigma value = 9


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

Energy: 2.175328437290634
Energy: 1.1658861895875057
Energy: 1.186091046311302
Energy: 1.178685286037659
Energy: 1.621459711702053
Energy: 1.089599095982744
Energy: 1.1344473882271406
Energy: 1.089599095981977
Energy: 1.6202654811140156
Energy: 1.0829749847405035
Energy: 1.082209696552758
Energy: 1.0829749847405035
Energy: 1.6213902836885263
Energy: 1.1820044398165104
Energy: 1.1864532132371477
Energy: 1.1820044398163132
Energy: 1.6458145928164059
Energy: 1.0888900974859925
Energy: 1.1946519673902072
Energy: 1.088890097579253
Energy: 1.6229241414563627
Energy: 1.0826630036195604
Energy: 1.3078756158371363
Energy: 1.0826630036365168
Energy: 1.5281525946733898
Energy: 1.0982521322572036
Energy: 1.216668459389643
Energy: 1.0982521322562397
Energy: 1.4925663405296212
Energy: 1.1808167676209402
Energy: 1.314728442447452
Energy: 1.1808167676194066
Energy: 1.3813373626093026
Energy: 1.0973409118885522
Energy: 1.2302768482777515
Energy: 1.0973409118879607
Energy: 1.3731941098367488
Energy: 1.1497263797960822
Energy: 1.4848046426789758
Energy: 1.1497263797974404
Energy: 1.2237886981593438
Energy: 1.0038610979875848
Energy: 1.4852175817714734
Energy: 1.0038610979879792
Energy: 1.1322202045453398
Energy: 1.0032062701803506
Energy: 1.4850301948257911
Energy: 1.0032062701811175
Energy: 1.1400843456909426
Energy: 1.0047579474879984
Energy: 1.5033596290804851
Energy: 1.0047579474881954
Energy: 1.3562490392577606
Energy: 1.2412078662694075
Energy: 1.4477678158377263
Energy: 1.2412078662701744
Energy: 1.1317687923230646
Energy: 1.0037967363394549
Energy: 1.645598769943139
Energy: 1.0037967363388633
Energy: 1.478661436780512
Energy: 1.332137766385081
Energy: 1.4475749745606477
Energy: 1.3321377663856506
Energy: 1.2166439445526724
Energy: 1.251182889657403
Energy: 1.4472651462929707
Energy: 1.2511828896576005
Energy: 1.2165584771336875
Energy: 1.2515511573643614
Energy: 1.3934688779217606
Energy: 1.2515511573643614
Energy: 1.373559272229254
Energy: 1.2430832736351813
Energy: 1.5028899782807437
Energy: 1.2430832736351813
Energy: 1.6208465817260918
Energy: 1.2431637442015617
Energy: 1.3937655986304744
Energy: 1.2431637442015617
Energy: 1.5231878474663445
Energy: 1.1344255149204652
Energy: 1.394557686521829
Energy: 1.1344255149208593

minimum gb energy = 1.0032062701803506 eV
minimum distance =  2.26916940659697 Angstroms
sigma value = 25


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

Energy: 1.6245742775049579
Energy: 1.2030260635985743
Energy: 1.2489421916585903
Energy: 1.1870295109078963
Energy: 1.443320879483777
Energy: 1.1318719206334882
Energy: 1.2128027564029464
Energy: 1.1318719206346801
Energy: 1.4496396483392946
Energy: 1.1174736986098974
Energy: 1.1156556704908929
Energy: 1.1174736986098974
Energy: 1.4351645922949268
Energy: 1.119558053942169
Energy: 1.118963924653593
Energy: 1.1195580539440653
Energy: 1.3586086084221876
Energy: 1.1165443019718284
Energy: 1.495880338878754
Energy: 1.116544301965624
Energy: 1.4520792581707225
Energy: 1.2391073901500593
Energy: 1.4259379284208535
Energy: 1.239107390151739
Energy: 1.449165605852473
Energy: 1.1185500542222833
Energy: 1.5010396552470862
Energy: 1.1185500542232314
Energy: 1.1186227971015377
Energy: 1.1193969797201853
Energy: 1.4967939355814766
Energy: 1.1193969797199415
Energy: 1.1192401113185098
Energy: 1.117386936178338
Energy: 1.4418343387789376
Energy: 1.117386936178094
Energy: 1.1861523754489671
Energy: 1.1173956810281878
Energy: 1.440147243055692
Energy: 1.1173956810286756
Energy: 1.117245539376225
Energy: 1.133322901450011
Energy: 1.4348659945958309
Energy: 1.1333229014488189
Energy: 1.4478278294345284
Energy: 1.1319697873962566
Energy: 1.4335866371078003
Energy: 1.1319697873965007
Energy: 1.30403714505988
Energy: 1.117058472797811
Energy: 1.4422214428987223
Energy: 1.1170584727987594
Energy: 1.3025959344879425
Energy: 1.2417767345135697
Energy: 1.366739126193618
Energy: 1.241776734512838
Energy: 1.390942511314748
Energy: 1.2414830045492113
Energy: 1.362688865596073
Energy: 1.2414830045475587
Energy: 1.4411102905453903
Energy: 1.241335773720755
Energy: 1.3692760839180662
Energy: 1.241335773720999
Energy: 1.3541704346572054
Energy: 1.2495803045647231
Energy: 1.3812933253047
Energy: 1.249580304564967

minimum gb energy = 1.1156556704908929 eV
minimum distance =  2.30396445178448 Angstroms
sigma value = 17


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

Energy: 1.6150458796274787
Energy: 1.1971427857996901
Energy: 1.293249988381354
Energy: 1.2303864755187572
Energy: 1.3940963869028808
Energy: 1.1321844742616534
Energy: 1.2963161896252116
Energy: 1.1321844742616534
Energy: 1.393796893059375
Energy: 1.132876385695416
Energy: 1.134443769768449
Energy: 1.1328763856940658
Energy: 1.4113029985953094
Energy: 1.1233181191398964
Energy: 1.1222303234731181
Energy: 1.1233181191412467
Energy: 1.407738372594064
Energy: 1.271742510113533
Energy: 1.4349588004286624
Energy: 1.2717425101121824
Energy: 1.3600362118534461
Energy: 1.1384002058964575
Energy: 1.3505350302942722
Energy: 1.1384002058951073
Energy: 1.386364499108168
Energy: 1.157014612229055
Energy: 1.4420695943105177
Energy: 1.157014612227705
Energy: 1.2267622840197718
Energy: 1.2272164270390622
Energy: 1.3860717110154428
Energy: 1.2272164270404122
Energy: 1.1550860099591682
Energy: 1.1384116164471858
Energy: 1.366141391056046
Energy: 1.1384116164471858
Energy: 1.1472973876799382
Energy: 1.138887482858428
Energy: 1.3667222480625547
Energy: 1.138887482858428
Energy: 1.1408585820795418
Energy: 1.2378236449677955
Energy: 1.41241093833206
Energy: 1.2378236449664453
Energy: 1.3616747291493105
Energy: 1.1317703446411058
Energy: 1.3671985259778494
Energy: 1.1317703446384053
Energy: 1.442874349137382
Energy: 1.2579437009042083
Energy: 1.3701643231175986
Energy: 1.2579437009069088
Energy: 1.4433433565038603
Energy: 1.14868275008985
Energy: 1.1488149207533043
Energy: 1.1486827500884995
Energy: 1.3450857030583698
Energy: 1.131240909995489
Energy: 1.1506038904795788
Energy: 1.1312409099968392
Energy: 1.3448400247519858
Energy: 1.1384236452575454
Energy: 1.1793625905811287
Energy: 1.138423645256195
Energy: 1.4223910644505506
Energy: 1.2262232575346594
Energy: 1.2275901414623829
Energy: 1.2262232575360097
Energy: 1.4227078314576973
Energy: 1.226263447559901
Energy: 1.4268389136016673
Energy: 1.2262634475612513
Energy: 1.3446309230485485
Energy: 1.1380462366427033
Energy: 1.3761838905373898
Energy: 1.1380462366386523
Energy: 1.1624441100345753
Energy: 1.2715718224767167
Energy: 1.4283555464775521
Energy: 1.2715718224767167
Energy: 1.121215302003081
Energy: 1.1337640288970436
Energy: 1.3754553507794485
Energy: 1.1337640288970436
Energy: 1.1912933183112884
Energy: 1.1330102764040542
Energy: 1.3754122373083395
Energy: 1.1330102764040542
Energy: 1.1873768407173277
Energy: 1.1848609567652921
Energy: 1.375277505037093
Energy: 1.1848609567652921
Energy: 1.3127423130821847
Energy: 1.134969791326778
Energy: 1.4216887319683442
Energy: 1.134969791326778
Energy: 1.3773542193799893
Energy: 1.1328560249453357
Energy: 1.377586907175533
Energy: 1.132856024946686
Energy: 1.246029171260977
Energy: 1.234634138326824
Energy: 1.377227533877849
Energy: 1.234634138326824
Energy: 1.2952089740427046
Energy: 1.2372284965728853
Energy: 1.2894918808325748
Energy: 1.2372284965742353
Energy: 1.3841523396491195
Energy: 1.2344884122149846
Energy: 1.2505408641901976
Energy: 1.2344884122149846
Energy: 1.3930637543297195
Energy: 1.13243373753628
Energy: 1.3695408028921936
Energy: 1.1324337375349605
Energy: 1.3840717933703095
Energy: 1.1352650896315428
Energy: 1.3119654348584207
Energy: 1.1352650896328933

minimum gb energy = 1.121215302003081 eV
minimum distance =  2.28758050977362 Angstroms
sigma value = 53


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

Energy: 1.0009811491313931
Energy: 1.5489303601940851
Energy: 1.034595271865156
Energy: 1.0179078056842679
Energy: 1.0358729537187177
Energy: 1.0306022258754926
Energy: 1.0424373145005623
Energy: 1.030602225872384
Energy: 1.3543920516550534
Energy: 1.0497058784355733
Energy: 1.0305324659576398
Energy: 1.0497058784358912
Energy: 1.2039666909833806
Energy: 1.054638678994429
Energy: 1.0362262913926503
Energy: 1.054638678994429
Energy: 1.205005685444798
Energy: 1.0333853685514272
Energy: 1.042672288952524
Energy: 1.0333853685511092
Energy: 1.2005564693523967
Energy: 1.0533799305500071
Energy: 1.2663074668909036
Energy: 1.0533799305490532
Energy: 1.2650720630885928
Energy: 1.0520513266419904
Energy: 1.0031603422824156
Energy: 1.0520513266417078
Energy: 1.0373315192828418
Energy: 1.0345846010227022
Energy: 1.0032100688487922
Energy: 1.034584601023656
Energy: 1.0351541286446446
Energy: 1.0514016246957971
Energy: 1.2663956387801758
Energy: 1.0514016246955145
Energy: 1.0386048935371903
Energy: 1.0545165757146835
Energy: 1.1997926811780524
Energy: 1.0545165757143653
Energy: 1.0367614061600876
Energy: 1.0310505949397062
Energy: 1.204912091910983
Energy: 1.0310505949397062
Energy: 1.3556952315882174
Energy: 1.1388286293621788
Energy: 1.2040678618565592
Energy: 1.1388286293615428
Energy: 1.0032042018624359
Energy: 1.050403244779365
Energy: 1.3545310327191977
Energy: 1.0504032447799654

minimum gb energy = 1.0009811491313931 eV
minimum distance =  2.29774588160236 Angstroms
sigma value = 9


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

Energy: 1.712756836456422
Energy: 1.3145250960776433
Energy: 1.3128262602925878
Energy: 1.3073376914860815
Energy: 1.4591869010985294
Energy: 1.2621414625307392
Energy: 1.3739486688827318
Energy: 1.2621414625272875
Energy: 1.2423571784891885
Energy: 1.221254832588469
Energy: 1.263940469509522
Energy: 1.2212548325873185
Energy: 1.2386435484364913
Energy: 1.220708131292304
Energy: 1.2397291944941786
Energy: 1.2207081312934547
Energy: 1.2147322244150516
Energy: 1.220232087351319
Energy: 1.2411966463887427
Energy: 1.2202320873501684
Energy: 1.3295409063367882
Energy: 1.263179054979405
Energy: 1.4705901370507146
Energy: 1.2631790549817064
Energy: 1.404157083148401
Energy: 1.375080260982725
Energy: 1.595969095710762
Energy: 1.3750802610494042
Energy: 1.4647574649301267
Energy: 1.2806487658119603
Energy: 1.5895996273674076
Energy: 1.2806487653185876
Energy: 1.392136747749944
Energy: 1.2352588192430904
Energy: 1.3166927825682941
Energy: 1.2352588192430904
Energy: 1.260655414505553
Energy: 1.2675415723227021
Energy: 1.1669665728939982
Energy: 1.2675415723215515
Energy: 1.3906809734666914
Energy: 1.229988329598798
Energy: 1.164569258034804
Energy: 1.2299883295976473
Energy: 1.3574032916050454
Energy: 1.275040417799345
Energy: 1.221061306253173
Energy: 1.275040417794743
Energy: 1.5961725911234783
Energy: 1.3135001928542345
Energy: 1.3122922358749722
Energy: 1.3135001928530836
Energy: 1.5966716510409265
Energy: 1.311618950286495
Energy: 1.5277255968240813
Energy: 1.311618950286495
Energy: 1.4000145789432636
Energy: 1.2746901886189392
Energy: 1.5102118195042018
Energy: 1.2746901886189392
Energy: 1.2744719811441017
Energy: 1.3064297932166407
Energy: 1.4747695418122988
Energy: 1.3064297932120383
Energy: 1.179772796415088
Energy: 1.1832489205056078
Energy: 1.5480098012637524
Energy: 1.1832489205044572
Energy: 1.198803674327988
Energy: 1.2383343526297887
Energy: 1.5395873220216851
Energy: 1.2383343526297887
Energy: 1.2344755253598798
Energy: 1.282490548642774
Energy: 1.5485142355854935
Energy: 1.2824905486404725
Energy: 1.2339737724199906
Energy: 1.3039835995231246
Energy: 1.547951527570829
Energy: 1.303983599519673
Energy: 1.4938904307513867
Energy: 1.2342322434113526
Energy: 1.5121925309473887
Energy: 1.2342322434136537
Energy: 1.6179547643893066
Energy: 1.2338403540820666
Energy: 1.5046924634933574
Energy: 1.2338403540855185
Energy: 1.6196475531087384
Energy: 1.233796859030457
Energy: 1.23378686058503
Energy: 1.2337968590316077
Energy: 1.5561377601147584
Energy: 1.2334853410627982
Energy: 1.2215160257439885
Energy: 1.2334853410627982
Energy: 1.5382374646394315
Energy: 1.2664439434728394
Energy: 1.178752158974605
Energy: 1.2664439434728394
Energy: 1.3687759894459728
Energy: 1.3054835815104695
Energy: 1.1800678876266912
Energy: 1.30548358151162
Energy: 1.5506348121512987
Energy: 1.2699137981936732
Energy: 1.476290907464399
Energy: 1.2699137981948239
Energy: 1.519904610402886
Energy: 1.303415479794086
Energy: 1.607617984393157
Energy: 1.303415479794086
Energy: 1.3145740834804844
Energy: 1.286438187103417
Energy: 1.6185050316925504
Energy: 1.2864381871045674
Energy: 1.3114044705602508
Energy: 1.2977129451618348
Energy: 1.6111861053367829
Energy: 1.2977129451641358
Energy: 1.2137887745743594
Energy: 1.226539936334552
Energy: 1.3906189312660366
Energy: 1.2265399363334015
Energy: 1.1656011879946055
Energy: 1.1665384020096607
Energy: 1.3884978818564944
Energy: 1.1665384020096607
Energy: 1.2668059412616612
Energy: 1.268458003849237
Energy: 1.390662920524351
Energy: 1.268458003849237
Energy: 1.4587091855014447
Energy: 1.2629182388886122
Energy: 1.5083360011358178
Energy: 1.262918238886311
Energy: 1.6160268414217875
Energy: 1.388660408258969
Energy: 1.4973353815524502
Energy: 1.3886604082578184

minimum gb energy = 1.164569258034804 eV
minimum distance =  2.24028477190527 Angstroms
sigma value = 73


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

Energy: 1.6992544112329124
Energy: 1.3626781558452585
Energy: 1.3637192225244725
Energy: 1.299008844866583
Energy: 1.4673348808338635
Energy: 1.3259871890919384
Energy: 1.3885070228188992
Energy: 1.325987189092851
Energy: 1.2991217946681046
Energy: 1.2516131213597654
Energy: 1.3232527766013793
Energy: 1.2516131213612176
Energy: 1.2938636686468654
Energy: 1.2516351678868092
Energy: 1.2932129363275087
Energy: 1.2516351678762092
Energy: 1.295451704812257
Energy: 1.251053404350085
Energy: 1.325427790292083
Energy: 1.251053404350085
Energy: 1.387057286347804
Energy: 1.3299426415026003
Energy: 1.4816959920295607
Energy: 1.329942641502953
Energy: 1.3902310488843286
Energy: 1.3887068278059247
Energy: 1.598121456648719
Energy: 1.3887068278059247
Energy: 1.5624952620243056
Energy: 1.307857702849998
Energy: 1.6386329873961123
Energy: 1.307857702860225
Energy: 1.5077516598848095
Energy: 1.2630935356770967
Energy: 1.3979477291527562
Energy: 1.2630935356772832
Energy: 1.3234014846717403
Energy: 1.3207305015430824
Energy: 1.1862711630162552
Energy: 1.320730501543995
Energy: 1.508274974578686
Energy: 1.2719108710194185
Energy: 1.1807249197121736
Energy: 1.271910871018879
Energy: 1.5262081049434446
Energy: 1.2971994067223747
Energy: 1.2553106002535024
Energy: 1.2971994067225612
Energy: 1.4716627542491616
Energy: 1.2366879419271544
Energy: 1.2366883002190368
Energy: 1.236687941927341
Energy: 1.4713583806604043
Energy: 1.332516297016929
Energy: 1.5396454396037313
Energy: 1.3325162970167426
Energy: 1.5720445391902305
Energy: 1.304794070874594
Energy: 1.6091277436148332
Energy: 1.3047940708756933
Energy: 1.532173085015334
Energy: 1.3326131823317449
Energy: 1.6298287654802055
Energy: 1.3326131823324918
Energy: 1.2366892795450308
Energy: 1.285137608561494
Energy: 1.6218294784808485
Energy: 1.2851376085620332
Energy: 1.2552554560921856
Energy: 1.2970690504604516
Energy: 1.5932589617549613
Energy: 1.2970690504600781
Energy: 1.1807291009119036
Energy: 1.184117616286889
Energy: 1.5041754834965746
Energy: 1.1841176162878018
Energy: 1.2278168768359778
Energy: 1.321170019909799
Energy: 1.4877034134996383
Energy: 1.3211700199096121
Energy: 1.3704128385635648
Energy: 1.270240474188634
Energy: 1.5037921746413772
Energy: 1.2702404741893598
Energy: 1.6158631482252865
Energy: 1.3128608475306813
Energy: 1.5851706083276562
Energy: 1.3128608475314072

minimum gb energy = 1.1807249197121736 eV
minimum distance =  2.2632635831431 Angstroms
sigma value = 7


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

Energy: 2.3345807021623557
Energy: 1.377784895384432
Energy: 1.3773650903494135
Energy: 1.2615290955171814
Energy: 1.52970818768569
Energy: 1.2708945348123903
Energy: 1.3772679807386978
Energy: 1.270894534813681
Energy: 1.424006030096398
Energy: 1.2578267591429841
Energy: 1.3863501117631603
Energy: 1.2578267591455656
Energy: 1.337692913769418
Energy: 1.2599532045302944
Energy: 1.2867877730400956
Energy: 1.259953204531585
Energy: 1.3390886606640169
Energy: 1.257935845291833
Energy: 1.3385363636645196
Energy: 1.2579358452995777
Energy: 1.3422193558412105
Energy: 1.2986637659436933
Energy: 1.5604695480140944
Energy: 1.2986637659424023
Energy: 1.3456467141118835
Energy: 1.3779330216187353
Energy: 1.5866497385199283
Energy: 1.3779330216187353
Energy: 1.5709016409653158
Energy: 1.2755475143699109
Energy: 1.5815776939243054
Energy: 1.2755475143686201
Energy: 1.5433632715713363
Energy: 1.280931260955417
Energy: 1.4393835985090135
Energy: 1.280931260934765
Energy: 1.3731041472893808
Energy: 1.2816999436072405
Energy: 1.209331834323558
Energy: 1.281699943604659
Energy: 1.598015283896649
Energy: 1.2969592849272376
Energy: 1.2011343977014721
Energy: 1.2969592849272376
Energy: 1.4714000672218746
Energy: 1.2834364566095802
Energy: 1.3047900960024321
Energy: 1.2834364566237784
Energy: 1.5909618523425193
Energy: 1.2051134548565066
Energy: 1.2647157012995167
Energy: 1.2051134548849036
Energy: 1.5922452207986588
Energy: 1.2846718379751865
Energy: 1.4318783938103647
Energy: 1.2846718379764774
Energy: 1.6118047421080655
Energy: 1.2988596696075152
Energy: 1.439487312993742
Energy: 1.298859669608806
Energy: 1.6095949416531246
Energy: 1.2787787329672688
Energy: 1.7846658280191332
Energy: 1.2787787329672688
Energy: 1.4306238625520813
Energy: 1.2739123448297898
Energy: 1.7861533573811892
Energy: 1.273912344828499
Energy: 1.3840795205736667
Energy: 1.2693012990187393
Energy: 1.4263331201616352
Energy: 1.2693012990174486
Energy: 1.289121254549661
Energy: 1.2575654727057461
Energy: 1.3393951211255728
Energy: 1.2575654727096182
Energy: 1.3389261968074788
Energy: 1.2577669555323683
Energy: 1.2852752614857412
Energy: 1.2577669555323683
Energy: 1.5329509970107644
Energy: 1.2974918010937362
Energy: 1.298786203232031
Energy: 1.2974918010937362
Energy: 1.5813067945063286
Energy: 1.3462601707922224
Energy: 1.3449343158456042
Energy: 1.3462601707896409
Energy: 1.5829875358529681
Energy: 1.4304182579482554
Energy: 1.529451588012333
Energy: 1.4304182579469646
Energy: 1.4398093262336462
Energy: 1.297805660019677
Energy: 1.5817354275417426
Energy: 1.297805660019677
Energy: 1.384663439790924
Energy: 1.2813143381434935
Energy: 1.3722295051685014
Energy: 1.281314338183478
Energy: 1.204237284519442
Energy: 1.206208285438985
Energy: 1.3625244103436944
Energy: 1.206208285438985
Energy: 1.3086311667097794
Energy: 1.2987609915960983
Energy: 1.5305865199802926
Energy: 1.2987609915948073
Energy: 1.2027794151570235
Energy: 1.2061124993081125
Energy: 1.6308275911403471
Energy: 1.2061124993081125
Energy: 1.266988693534413
Energy: 1.2820631092110322
Energy: 1.5920671643792184
Energy: 1.2820631092110322
Energy: 1.4379155559774144
Energy: 1.297905462074735
Energy: 1.6298418573611813
Energy: 1.2979054620902244
Energy: 1.7924515709333249
Energy: 1.2725110400451465
Energy: 1.6094366581358337
Energy: 1.2725110400451465

minimum gb energy = 1.2011343977014721 eV
minimum distance =  2.26463601050459 Angstroms
sigma value = 29


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

Energy: 1.6209055555155256
Energy: 1.4743728563777687
Energy: 1.3934813810068851
Energy: 1.2588583403402365
Energy: 1.356848468030217
Energy: 1.2245096924753152
Energy: 1.390363391199732
Energy: 1.2245096924788368
Energy: 1.3596247070663954
Energy: 1.2191718331333568
Energy: 1.2823996797618822
Energy: 1.2191718331333568
Energy: 1.28774626413981
Energy: 1.2170704046340513
Energy: 1.1116431823878747
Energy: 1.2170704046366738
Energy: 1.2908731929897905
Energy: 1.2260136975943137
Energy: 1.2768400716294925
Energy: 1.2260136975907916
Energy: 1.2862875200608017
Energy: 1.2181457037269499
Energy: 1.3404432185509383
Energy: 1.2181457037269499
Energy: 1.3961419643729118
Energy: 1.3919778100074094
Energy: 1.2633412367995684
Energy: 1.3919778100074094
Energy: 1.436638108742999
Energy: 1.2218929690874083
Energy: 1.340825621793504
Energy: 1.2218929690878328
Energy: 1.4099208690400766
Energy: 1.2563649055866488
Energy: 1.4368351600374794
Energy: 1.2563649055879724

minimum gb energy = 1.1116431823878747 eV
minimum distance =  2.25513536654262 Angstroms
sigma value = 5


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

Energy: 1.6914708254507091
Energy: 1.6608542479800508
Energy: 1.7359369322360683
Energy: 1.569118317402125
Energy: 1.2166720335489924
Energy: 1.2503112332388517
Energy: 1.5054412362873542
Energy: 1.2503112332376325
Energy: 1.18814427442911
Energy: 1.1961751301297734
Energy: 1.4915120376183422
Energy: 1.1961751301297734
Energy: 1.1864961315915774
Energy: 1.249889140145294
Energy: 1.4213984829390165
Energy: 1.2498891401440746
Energy: 1.2307553621022265
Energy: 1.2048625930396846
Energy: 1.442553781775017
Energy: 1.204862592990913
Energy: 1.2127275531042245
Energy: 1.2292178735630597
Energy: 1.401292115707176
Energy: 1.229217873564279
Energy: 1.2043486024251602
Energy: 1.283733339698439
Energy: 1.3619792543763927
Energy: 1.2837333396996582
Energy: 1.2052673129301001
Energy: 1.2293625649567714
Energy: 1.358530874819662
Energy: 1.2293625649579352
Energy: 1.5298192790254044
Energy: 1.2795805135123623
Energy: 1.4013718933692851
Energy: 1.2795805135233358
Energy: 1.4847690390362733
Energy: 1.430085808857532
Energy: 1.4915238491073666
Energy: 1.430085808857532
Energy: 1.52943933170853
Energy: 1.2594832254032893
Energy: 1.5594305869232226
Energy: 1.2594832254045087
Energy: 1.4161741408939856
Energy: 1.2307059777090883
Energy: 1.5493638574756439
Energy: 1.2307059777103075
Energy: 1.3455219452931964
Energy: 1.3421165744824928
Energy: 1.5548862637597822
Energy: 1.342116574486151
Energy: 1.3967203612399348
Energy: 1.3212578774547403
Energy: 1.2069131765725363
Energy: 1.3212578774547403
Energy: 1.3651257452207257
Energy: 1.2870410656150355
Energy: 1.205426674772063
Energy: 1.287041065617474
Energy: 1.3609136584122101
Energy: 1.2299978543654964
Energy: 1.2053653820653074
Energy: 1.2299978543630579
Energy: 1.4431910098425647
Energy: 1.3149314897735038
Energy: 1.254775385011946
Energy: 1.3149314897771616
Energy: 1.492788926130475
Energy: 1.199864925363111
Energy: 1.1884268939430598
Energy: 1.1998649253643305
Energy: 1.4971399947954724
Energy: 1.3347154789804532
Energy: 1.1872102925042587
Energy: 1.3347154789816724
Energy: 1.5107581352133619
Energy: 1.1956062950247237
Energy: 1.189865331309767
Energy: 1.1956062950235045
Energy: 1.51807576145447
Energy: 1.258553185682244
Energy: 1.618366647396549
Energy: 1.2585531856810246
Energy: 1.636874064611589
Energy: 1.4390795286979248
Energy: 1.6215716991037357
Energy: 1.4390795286979248
Energy: 1.5859521369989962
Energy: 1.2127229796003405
Energy: 1.286501744929321
Energy: 1.2127229796015597
Energy: 1.5543811347324208
Energy: 1.2356427066384383
Energy: 1.2882348699671755
Energy: 1.235642706637219
Energy: 1.5537332666576276
Energy: 1.1989022202467687
Energy: 1.2322001673319396
Energy: 1.198902220251646
Energy: 1.3675237175045099
Energy: 1.2593852920731659
Energy: 1.3097314640889504
Energy: 1.2593852920731659
Energy: 1.2541858181751688
Energy: 1.2548066122160066
Energy: 1.2621721387939246
Energy: 1.2548066122135682
Energy: 1.2601428722230015
Energy: 1.2514838054659994
Energy: 1.2556136580262829
Energy: 1.2514838054659994
Energy: 1.290876834972308
Energy: 1.2813835011549461
Energy: 1.3308602708603752
Energy: 1.2813835011573846
Energy: 1.252148908360001
Energy: 1.2328972459516536
Energy: 1.4853967684147062
Energy: 1.232897245952873
Energy: 1.2974634917005905
Energy: 1.2356418646437404
Energy: 1.4871532624546253
Energy: 1.2356418646449596
Energy: 1.2163244514926017
Energy: 1.209028466669496
Energy: 1.581860488808728
Energy: 1.209028466669496
Energy: 1.686732910213983
Energy: 1.4394613458631809
Energy: 1.5775090774100775
Energy: 1.4394613458619616

minimum gb energy = 1.1864961315915774 eV
minimum distance =  2.2261165933675 Angstroms
sigma value = 1


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

Energy: 2.1786255113531556
Energy: 1.612870720148751
Energy: 1.5227902552559396
Energy: 1.4193689705903476
Energy: 1.223909504168223
Energy: 1.323249017276075
Energy: 1.3349576946181017
Energy: 1.323249017276075
Energy: 1.2241628569163434
Energy: 1.2347122683323413
Energy: 1.4180962824319434
Energy: 1.2347122683323413
Energy: 1.2204445175918897
Energy: 1.2345359456664744
Energy: 1.2825646612700605
Energy: 1.2345359456681602
Energy: 1.2834539866217487
Energy: 1.2346079265895484
Energy: 1.2564576803877976
Energy: 1.2346079265878627
Energy: 1.2479581413442287
Energy: 1.23280433031497
Energy: 1.4360794603142797
Energy: 1.2328043303115983
Energy: 1.2273102843878767
Energy: 1.3307572791545983
Energy: 1.4630553016201566
Energy: 1.3307572791545983
Energy: 1.2841464624907608
Energy: 1.2320852628456571
Energy: 1.4561966362659047
Energy: 1.2320852628456571
Energy: 1.3387721536707227
Energy: 1.3083820896621146
Energy: 1.4281420462128975
Energy: 1.3083820896638003
Energy: 1.4581113740854108
Energy: 1.6797929437325967
Energy: 1.7262210827600033
Energy: 1.6797929437325967
Energy: 1.1519340652548486
Energy: 1.4270394408322844
Energy: 1.5242694317051024
Energy: 1.4270394408322844
Energy: 1.1525038164020098
Energy: 1.1155565736517141
Energy: 1.5504964034605893
Energy: 1.1155565736517141
Energy: 1.1491356169001878
Energy: 1.1165095148946724
Energy: 1.5461524913266904
Energy: 1.1165095148963584
Energy: 1.1518474375489032
Energy: 1.1158337145027961
Energy: 1.466623989952555
Energy: 1.1158337145011104
Energy: 1.2824728444000981
Energy: 1.321557073648151
Energy: 1.3658134659283176
Energy: 1.3215570736464652
Energy: 1.2827570000002244
Energy: 1.1819106621236717
Energy: 1.332599382143281
Energy: 1.1819106621236717
Energy: 1.4275209335187549
Energy: 1.1884233421151402
Energy: 1.2799160753994832
Energy: 1.1884233421168264
Energy: 1.4376984158851966
Energy: 1.2437742508512881
Energy: 1.2452627793970708
Energy: 1.2437742508529739
Energy: 1.4473832179093091
Energy: 1.3211273946853337
Energy: 1.2666449477784747
Energy: 1.3211273946853337
Energy: 1.4652973002947962
Energy: 1.259656158156189
Energy: 1.298395210281323
Energy: 1.259656158156189
Energy: 1.4021748618283305
Energy: 1.235713193030989
Energy: 1.458137924351393
Energy: 1.2357131930293033
Energy: 1.4316471954287895
Energy: 1.235042638554602
Energy: 1.4591318290029633
Energy: 1.235042638556288
Energy: 1.4392318836227684
Energy: 1.2953497017188236
Energy: 1.3636852107400828
Energy: 1.2953497017188236
Energy: 1.3995350735382344
Energy: 1.3880144315939782
Energy: 1.440917056122845
Energy: 1.3880144315939782

minimum gb energy = 1.1155565736517141 eV
minimum distance =  2.2290197297929 Angstroms
sigma value = 17


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

Energy: 1.7830422273257032
Energy: 1.6820896435690935
Energy: 1.7265948590861768
Energy: 1.5508534171329547
Energy: 1.15920989272747
Energy: 1.2024007705870572
Energy: 1.4528479739563227
Energy: 1.2024007705818474
Energy: 1.1661350106702737
Energy: 1.1613061191633993
Energy: 1.4647391521344861
Energy: 1.1613061191633993
Energy: 1.1585394310772787
Energy: 1.1622268657110255
Energy: 1.4711881800157607
Energy: 1.1622268657068573
Energy: 1.163698344255531
Energy: 1.232753262364025
Energy: 1.3133515522331902
Energy: 1.2327532623629827
Energy: 1.2210831152732184
Energy: 1.2046860509816608
Energy: 1.2506890122461436
Energy: 1.2046860509774926
Energy: 1.2298822647581429
Energy: 1.2058786342776455
Energy: 1.221503180085595
Energy: 1.2058786342807712
Energy: 1.286930396574046
Energy: 1.2079029585109045
Energy: 1.2184964308459836
Energy: 1.2079029585140304
Energy: 1.4518793333254936
Energy: 1.1624057912046792
Energy: 1.1560467332255548
Energy: 1.1624057912046792
Energy: 1.4056275904793782
Energy: 1.1653769980713267
Energy: 1.1664738901161982
Energy: 1.1653769980609066
Energy: 1.5009720467599112
Energy: 1.1625221035254845
Energy: 1.1594960158468985
Energy: 1.1625221035254845
Energy: 1.4687322251086619
Energy: 1.1997997151699735
Energy: 1.5053348883765016
Energy: 1.1997997151689317
Energy: 1.6700184531522067
Energy: 1.1975272614510786
Energy: 1.5152232511845738
Energy: 1.1975272614510786
Energy: 1.3691092908772409
Energy: 1.278329753841828
Energy: 1.1627547002808714
Energy: 1.2783297538387017
Energy: 1.4572884055980657
Energy: 1.1641115421316932
Energy: 1.2964774013578846
Energy: 1.1641115421306514
Energy: 1.602313062927291
Energy: 1.1615821663644557
Energy: 1.250882760436467
Energy: 1.1615821663654977
Energy: 1.198415299848882
Energy: 1.1977173996273536
Energy: 1.3378349399822906
Energy: 1.19771739962527
Energy: 1.1992959068080244
Energy: 1.2277739636352178
Energy: 1.3058960067677847
Energy: 1.2277739636341758
Energy: 1.1954939604756374
Energy: 1.1986377366806193
Energy: 1.2952112598390642
Energy: 1.1986377366816612
Energy: 1.2342642575663443
Energy: 1.278949634623907
Energy: 1.4242239828640362
Energy: 1.2789496346270335
Energy: 1.1731308135530285
Energy: 1.179730727853461
Energy: 1.4072059961498158
Energy: 1.1797307278565872
Energy: 1.1758886496045606
Energy: 1.1809464665582416
Energy: 1.4043821713367242
Energy: 1.1809464665582416
Energy: 1.1773482392850187
Energy: 1.3101804805663941
Energy: 1.3096992280526194
Energy: 1.310180480561184
Energy: 1.515756575028894
Energy: 1.2641260061776625
Energy: 1.385084646153591
Energy: 1.2641260061807884
Energy: 1.5094174733930852
Energy: 1.1809327650246015
Energy: 1.3152740141861974
Energy: 1.1809327650266856
Energy: 1.311148149628231
Energy: 1.1872892388634104
Energy: 1.3780085730428113
Energy: 1.1872892388613265
Energy: 1.4879016561645995
Energy: 1.4671444020233977
Energy: 1.5824392944584573
Energy: 1.4671444020306919
Energy: 1.3275245616269593
Energy: 1.1808525856915655
Energy: 1.4270366732207038
Energy: 1.1808525856884868
Energy: 1.405276646054924
Energy: 1.1810435979852885
Energy: 1.1792613484525136
Energy: 1.1810435979842464
Energy: 1.3610193002943263
Energy: 1.1823673845685296
Energy: 1.1761541294518583
Energy: 1.1823673845622777
Energy: 1.3999548821954964
Energy: 1.1827760375884018
Energy: 1.1772494211030362
Energy: 1.1827760375904859
Energy: 1.3389971746932303
Energy: 1.2029009854891353
Energy: 1.1876482084182176
Energy: 1.2029009854901773
Energy: 1.301801784042956
Energy: 1.201898403914359
Energy: 1.194884769813425
Energy: 1.201898403912275
Energy: 1.2938407109792176
Energy: 1.1971809731284218
Energy: 1.1918900774536263
Energy: 1.1971809731305059
Energy: 1.2497175366391857
Energy: 1.1626846359822658
Energy: 1.2798185877734243
Energy: 1.16268463598435
Energy: 1.268547105959768
Energy: 1.2693870081197982
Energy: 1.5217920004131325
Energy: 1.2693870081250083
Energy: 1.2974817865409642
Energy: 1.1616535383365225
Energy: 1.4531005864964521
Energy: 1.1616535383354805
Energy: 1.4279962360131708
Energy: 1.201039406528171
Energy: 1.4925715564851327
Energy: 1.2010394065250452

minimum gb energy = 1.1560467332255548 eV
minimum distance =  2.23647805917255 Angstroms
sigma value = 89


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

Energy: 2.078176796668086
Energy: 1.3667945225468288
Energy: 1.368968260988669
Energy: 1.2396567297471957
Energy: 1.1275834572993768
Energy: 1.1332904549169243
Energy: 1.1257677090223317
Energy: 1.133290454876059
Energy: 1.128163219386576
Energy: 1.1314475554912289
Energy: 1.2314478971083775
Energy: 1.131447555492592
Energy: 1.1245451135162696
Energy: 1.131665692205198
Energy: 1.231809000222021
Energy: 1.1316656922046713
Energy: 1.1237503146277021
Energy: 1.1549812404111652
Energy: 1.24930841011965
Energy: 1.1549812404106075
Energy: 1.1827494792017654
Energy: 1.139460662866618
Energy: 1.2409318558184423
Energy: 1.1394606628658124
Energy: 1.187512480771067
Energy: 1.1382007641907814
Energy: 1.1839220634739216
Energy: 1.138200764191339
Energy: 1.2488949596057455
Energy: 1.1463329983070631
Energy: 1.1828464698816203
Energy: 1.1463329983067843
Energy: 1.2986891764695934
Energy: 1.132063444266901
Energy: 1.1209667893471877
Energy: 1.1320634442663435
Energy: 1.2995394234406146
Energy: 1.131750818367052
Energy: 1.1228028486289017
Energy: 1.131750818366773
Energy: 1.301186467710006
Energy: 1.1329699801407451
Energy: 1.1284792964813088
Energy: 1.132969980141024
Energy: 1.3907942064902004
Energy: 1.130648401780477
Energy: 1.389908397305718
Energy: 1.130648401781809
Energy: 1.412958976203669
Energy: 1.1312289082060811
Energy: 1.389150194371193
Energy: 1.1312289082049658
Energy: 1.1276957935606124
Energy: 1.2250695842307835
Energy: 1.128035836902714
Energy: 1.2250695842269728
Energy: 1.1317094395054799
Energy: 1.1316074411879344
Energy: 1.1273688474599783
Energy: 1.1316074411871289

minimum gb energy = 1.1209667893471877 eV
minimum distance =  2.25502553534015 Angstroms
sigma value = 13


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

Energy: 1.3004456733336582
Energy: 1.3975204807429527
Energy: 1.3653831300848198
Energy: 1.190759619176861
Energy: 1.0967228939069635
Energy: 1.1021053799374552
Energy: 1.0978159647411403
Energy: 1.1021053799511162
Energy: 1.0976740855655502
Energy: 1.0992111427874098
Energy: 1.2713555131227174
Energy: 1.099211142786267
Energy: 1.0935216574788937
Energy: 1.0986948960617895
Energy: 1.2675156838993225
Energy: 1.098694896059504
Energy: 1.101123538960583
Energy: 1.1940076884475943
Energy: 1.174682376986368
Energy: 1.1940076884498798
Energy: 1.2050281664853266
Energy: 1.0831618552093707
Energy: 1.1275646198895568
Energy: 1.0831618552093707
Energy: 1.2025461901054455
Energy: 1.0821080150203548
Energy: 1.1147555148752273
Energy: 1.0821080150214974
Energy: 1.244846324732024
Energy: 1.0842401361045557
Energy: 1.119914337006263
Energy: 1.0842401361068412
Energy: 1.2007462912494808
Energy: 1.0852767960243321
Energy: 1.1187526922851987
Energy: 1.0852767960243321
Energy: 1.2032377538236296
Energy: 1.0846420795190455
Energy: 1.1122186507534848
Energy: 1.0846420795190455
Energy: 1.1898103076135698
Energy: 1.0893183966175892
Energy: 1.1787945059038314
Energy: 1.0893183966175892
Energy: 1.0990143250692557
Energy: 1.099604456029705
Energy: 1.2033997733088988
Energy: 1.0996044560285623
Energy: 1.0972242670409915
Energy: 1.098234229053842
Energy: 1.2014600772255104
Energy: 1.0982342290526994
Energy: 1.096826620498003
Energy: 1.247325491312756
Energy: 1.2040750845177404
Energy: 1.24732549134361
Energy: 1.4000004204637282
Energy: 1.1006259355988623
Energy: 1.0964658861447767
Energy: 1.1006259355954342
Energy: 1.400550295397046
Energy: 1.0985411683395367
Energy: 1.0961772752558108
Energy: 1.0985411683395367
Energy: 1.0972729254449178
Energy: 1.103338675152882
Energy: 1.097693652102234
Energy: 1.103338675152882
Energy: 1.1003541261064276
Energy: 1.0992290877299267
Energy: 1.2665154658946658
Energy: 1.0992290877299267
Energy: 1.0972512890335282
Energy: 1.0998561872402177
Energy: 1.0904657849669692
Energy: 1.0998561872402177
Energy: 1.2010428760513157
Energy: 1.1019805263740599
Energy: 1.1013194663714592
Energy: 1.1019805263740599
Energy: 1.2681656862381046
Energy: 1.1475001097243784
Energy: 1.0955846532989892
Energy: 1.1475001097243784
Energy: 1.1750759232932364
Energy: 1.1944550371048308
Energy: 1.1020404447928582
Energy: 1.1944550371059734
Energy: 1.1765406789299677
Energy: 1.0839636074813557
Energy: 1.2010420986456325
Energy: 1.0839636074813557
Energy: 1.1172493258460099
Energy: 1.084044772820549
Energy: 1.1312242448082015
Energy: 1.084044772820549
Energy: 1.1174353476268564
Energy: 1.0934785545471788
Energy: 1.1949202058653585
Energy: 1.0934785545471788
Energy: 1.116446302883908
Energy: 1.0889544457939586
Energy: 1.2541211926655083
Energy: 1.0889544457939586
Energy: 1.1138022048849396
Energy: 1.085724616988885
Energy: 1.2038433669353776
Energy: 1.085724616988885
Energy: 1.1769165072330283
Energy: 1.0865446184003393
Energy: 1.19978895592265
Energy: 1.0865446183992484
Energy: 1.1766507820516114
Energy: 1.1004933855594432
Energy: 1.099980616952045
Energy: 1.1004933855617287
Energy: 1.1996109670709465
Energy: 1.0992309765985024
Energy: 1.0996979430842952
Energy: 1.099230976599645
Energy: 1.1997925468168695
Energy: 1.1037130683860392
Energy: 1.0973133542917994
Energy: 1.1037130683860392
Energy: 1.0995955322455482
Energy: 1.0987170483213207
Energy: 1.1996549461657304
Energy: 1.0987170483247488
Energy: 1.0968793677374544
Energy: 1.1067996588640534
Energy: 1.3994016061875056
Energy: 1.1067996588503923
Energy: 1.0956765707948974
Energy: 1.1073462662521107
Energy: 1.096494138137689
Energy: 1.1073462662543962
Energy: 1.0906793052591843
Energy: 1.0987251248123775
Energy: 1.0974531300338985
Energy: 1.0987251248112346

minimum gb energy = 1.0821080150203548 eV
minimum distance =  2.26166577334179 Angstroms
sigma value = 37


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

Energy: 1.3186277774068895
Energy: 1.3346023942018521
Energy: 1.2984554046965948
Energy: 1.130608489106262
Energy: 1.054646692962662
Energy: 1.059230402134064
Energy: 1.0557158750043536
Energy: 1.0592304021338628
Energy: 1.055297737242225
Energy: 1.0609031403005713
Energy: 1.2667856125156514
Energy: 1.0609031403013756
Energy: 1.0529170854121614
Energy: 1.0602857621416983
Energy: 1.2669706643991556
Energy: 1.0602857621407153
Energy: 1.1725813768435593
Energy: 1.1144883794013993
Energy: 1.112157106935572
Energy: 1.1144883794053315
Energy: 1.2009396836729394
Energy: 1.0278364410588403
Energy: 1.0601234452151653
Energy: 1.0278364410592424
Energy: 1.1271921450512492
Energy: 1.0274115352239785
Energy: 1.0569792047301239
Energy: 1.0274115352243807
Energy: 1.1749836839625756
Energy: 1.0136419526745755
Energy: 1.0654949656181374
Energy: 1.0136419526735925
Energy: 1.101519096810276
Energy: 1.0070413485322103
Energy: 1.0999343156948451
Energy: 1.0070413485314282
Energy: 1.1001399204591062
Energy: 1.0062535691582124
Energy: 1.1017899600238974
Energy: 1.006253569158592
Energy: 1.1543225975121156
Energy: 1.101287580884494
Energy: 1.1752007870553542
Energy: 1.1012875808754683
Energy: 1.0573497744584432
Energy: 1.0272939085487585
Energy: 1.2019122978551473
Energy: 1.0272939085487585
Energy: 1.059537832952803
Energy: 1.0274767948548194
Energy: 1.2015779445108938
Energy: 1.0274767948554004
Energy: 1.112640369224002
Energy: 1.048725801446462
Energy: 1.1719769427145377
Energy: 1.0487258009021136
Energy: 1.1946136376781347
Energy: 1.0597939342650295
Energy: 1.0541560431216603
Energy: 1.059793934264851
Energy: 1.1865612687012888
Energy: 1.0603085410593638
Energy: 1.0550696642661934
Energy: 1.0603085410595647
Energy: 1.1849004651612984
Energy: 1.113055419590414
Energy: 1.0549414372765635
Energy: 1.113055419590012
Energy: 1.0556894125333944
Energy: 1.0551220178953622
Energy: 1.179223368491743
Energy: 1.0551220178945804
Energy: 1.0552105316992264
Energy: 1.0607556609170232
Energy: 1.179573689199726
Energy: 1.0607556609168223
Energy: 1.0549159034188378
Energy: 1.0592771654940396
Energy: 1.055235472529093
Energy: 1.0592771654942408

minimum gb energy = 1.0062535691582124 eV
minimum distance =  2.26060694799447 Angstroms
sigma value = 25


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

Energy: 1.304709997273249
Energy: 1.2001939825061811
Energy: 1.1774184090873792
Energy: 1.0406560877729911
Energy: 0.9835629595731361
Energy: 0.9817071418902806
Energy: 1.021495749491426
Energy: 0.9817071418902806
Energy: 0.9839452311898036
Energy: 0.9896959926165014
Energy: 1.0602018587721882
Energy: 0.9896959926149662
Energy: 0.9835249431221621
Energy: 0.9885162872368539
Energy: 1.1243258324999341
Energy: 0.9885162872368539
Energy: 1.0192111912377613
Energy: 0.980819643078617
Energy: 1.02201792701231
Energy: 0.9808196430709409
Energy: 1.1259664925088413
Energy: 0.9519196391163455
Energy: 0.9737678462375156
Energy: 0.9519196391163455
Energy: 1.1260648379327594
Energy: 0.9523407786990609
Energy: 0.9727380303132428
Energy: 0.9523407786975256
Energy: 1.0573617342741701
Energy: 1.0615950458340404
Energy: 1.0715311761994666
Energy: 1.0615950458340404
Energy: 0.99057186315624
Energy: 0.9177867322283414
Energy: 1.0910593464408693
Energy: 0.9177867322283414
Energy: 0.9909495362087988
Energy: 0.9172961156696925
Energy: 1.0908010048880001
Energy: 0.9172961156696925
Energy: 1.0262141691982485
Energy: 1.043009466523966
Energy: 1.0640846248902556
Energy: 1.043009465635491
Energy: 1.0298256945748359
Energy: 0.9068183230791622
Energy: 1.0323862202197414
Energy: 0.9068183230806974
Energy: 1.0309008961810593
Energy: 0.9092208475117691
Energy: 1.029468077101721
Energy: 0.9092208475117691
Energy: 1.064261547398593
Energy: 0.96041886582505
Energy: 1.0094734989788159
Energy: 0.9604188658281203
Energy: 1.0915124589209484
Energy: 0.9187387801363269
Energy: 0.9872540161056576
Energy: 0.9187387801363269
Energy: 1.0910922033456578
Energy: 0.9167774679759664
Energy: 0.9900445472750983
Energy: 0.9167774679759664
Energy: 0.989193165283524
Energy: 0.9570992241966785
Energy: 1.0576886545534652
Energy: 0.9570992241966785
Energy: 0.9714552785932073
Energy: 0.9518792590814574
Energy: 1.0882983791897514
Energy: 0.9518792590814574
Energy: 0.973821577821162
Energy: 0.9525945281236474
Energy: 1.1806288063779045
Energy: 0.9525945281221123
Energy: 1.0216082146950436
Energy: 0.9863470564150972
Energy: 1.100711902678635
Energy: 0.9863470564120267
Energy: 1.1783615864768207
Energy: 1.0115642113862071
Energy: 0.9837879307378002
Energy: 1.011564211384672
Energy: 1.0216947443231614
Energy: 0.9895884615304176
Energy: 0.9837479109486074
Energy: 0.9895884615304176
Energy: 1.0214820818027217
Energy: 0.9892782035452391
Energy: 1.0181189416839367
Energy: 0.9892782035437038
Energy: 0.986859500441266
Energy: 0.9895681349158227
Energy: 1.1866346859251924
Energy: 0.9895681349142874
Energy: 0.9841886751487914
Energy: 0.9866221831757456
Energy: 0.9842961682902871
Energy: 0.9866221831742104
Energy: 1.225444817430155
Energy: 0.9885540041347372
Energy: 0.9839327045671513
Energy: 0.9885540041347372

minimum gb energy = 0.9068183230791622 eV
minimum distance =  2.27146947689677 Angstroms
sigma value = 41


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

Energy: 1.2488723435960687
Energy: 1.0947266353389975
Energy: 1.0755126406861402
Energy: 0.9670694534933679
Energy: 0.924000357188889
Energy: 0.9128690630123439
Energy: 0.9042695763130988
Energy: 0.9128690630123439
Energy: 0.919123444374801
Energy: 0.9228381053937327
Energy: 0.9448625729927385
Energy: 0.92283810539625
Energy: 0.9191622080564787
Energy: 0.9224822572309824
Energy: 0.9525203134236293
Energy: 0.922482257229724
Energy: 0.9514056899640134
Energy: 0.9126246185701204
Energy: 0.9489997883513592
Energy: 0.9126246185135107
Energy: 0.9058631403531158
Energy: 0.891017929333022
Energy: 0.9038484866942736
Energy: 0.891017929333022
Energy: 0.9090141913879487
Energy: 0.8908124216265114
Energy: 0.9041982030002281
Energy: 0.8908124216252529
Energy: 0.9760018108556734
Energy: 0.9302312634193428
Energy: 0.9315268469042902
Energy: 0.9302312634206015
Energy: 0.9098243553384608
Energy: 0.8552319636846955
Energy: 1.0423207093700875
Energy: 0.8552319636846955
Energy: 0.9061136205702236
Energy: 0.8553558875830954
Energy: 1.0436525902782365
Energy: 0.8553558875843541
Energy: 0.944168170470742
Energy: 0.9956144056605756
Energy: 0.9830191689850272
Energy: 0.995614405913446
Energy: 1.016357369939576
Energy: 0.8367744067292445
Energy: 0.9286833197349293
Energy: 0.8367744067280145
Energy: 0.995082102814672
Energy: 0.8395861282167626
Energy: 0.9352981450705042
Energy: 0.8395861282167626
Energy: 0.9849859396764126
Energy: 0.8300329558251952
Energy: 0.9655948526817207
Energy: 0.8300329558264536
Energy: 0.96866116668369
Energy: 0.8304396198561045
Energy: 0.9662173211350646
Energy: 0.8304396198548458
Energy: 0.9707513295117071
Energy: 0.8359429761798903
Energy: 0.968394055650784
Energy: 0.8359429761773731
Energy: 0.9444402674609101
Energy: 0.8387666565917686
Energy: 0.984629405231738
Energy: 0.8387666565917686
Energy: 0.9334329556516466
Energy: 0.8372022634669704
Energy: 1.0165548919211709
Energy: 0.8372022634669704
Energy: 0.9508355623278538
Energy: 0.8379175308002408
Energy: 1.018461832708108
Energy: 0.8379175308002408
Energy: 0.9789547857472092
Energy: 0.8558827742024178
Energy: 0.934701851132106
Energy: 0.8558827742036765
Energy: 0.9309949049387454
Energy: 0.8557583591691558
Energy: 0.9071524426765617
Energy: 0.8557583591691558
Energy: 0.9287565104330833
Energy: 0.8582147540074074
Energy: 0.93822954112911
Energy: 0.8582147540086661
Energy: 0.9147816517463551
Energy: 0.8905611929619142
Energy: 0.9763368277795746
Energy: 0.8905611929631726
Energy: 0.9062359004166767
Energy: 0.8907149917203064
Energy: 1.0163106273363667
Energy: 0.8907149917203064
Energy: 0.9484092543938011
Energy: 0.892952020370191
Energy: 0.9085931766465714
Energy: 0.8929520203727082
Energy: 0.9044177571392089
Energy: 0.9229116070809309
Energy: 0.9210923948239633
Energy: 0.9229116070821896
Energy: 0.904409921194018
Energy: 0.9235893418702649
Energy: 0.9256531179252482
Energy: 0.9235893418690064
Energy: 0.9485727077269098
Energy: 1.0133463932238023
Energy: 0.9210266650662323
Energy: 1.0133463931218818
Energy: 0.9230034146871484
Energy: 0.9228639394077794
Energy: 0.9253530982987204
Energy: 0.9228639394090381
Energy: 0.9185586654797407
Energy: 0.9238223131472357
Energy: 0.9255925154296012
Energy: 0.9238223131484944
Energy: 0.9215398955305621
Energy: 0.9151239867352582
Energy: 0.922037438793727
Energy: 0.9151239867352582
Energy: 0.8965684383926205
Energy: 0.9225864193647041
Energy: 0.9229931885427539
Energy: 0.9225864193634454

minimum gb energy = 0.8300329558251952 eV
minimum distance =  2.26441680426982 Angstroms
sigma value = 15


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

Energy: 1.0341424370305945
Energy: 0.9950615085808442
Energy: 1.034736314412076
Energy: 0.9471139131668723
Energy: 0.8618634784519225
Energy: 0.8562021200974503
Energy: 0.8491860273442291
Energy: 0.8562021200995829
Energy: 0.8629699994523842
Energy: 0.8669765852253487
Energy: 0.843204886552879
Energy: 0.8669765852296137
Energy: 0.8688908325968189
Energy: 0.8665024347403569
Energy: 0.8909833681405449
Energy: 0.8665024347392907
Energy: 0.8736089103085005
Energy: 0.8577748863467605
Energy: 0.8503328838589532
Energy: 0.8577748863424957
Energy: 0.8917646062172429
Energy: 0.8374275727394347
Energy: 0.847650974249979
Energy: 0.837427572742585
Energy: 0.8787737272573648
Energy: 0.8378414182180951
Energy: 0.8519429281429334
Energy: 0.8378414182255587
Energy: 0.8746166855838811
Energy: 0.8968354987661928
Energy: 0.8700261175400077
Energy: 0.8968354987693916
Energy: 0.8505001439826153
Energy: 0.8059162744412347
Energy: 0.8711058470781635
Energy: 0.8059162744412347
Energy: 0.8548160125557349
Energy: 0.8053440714868847
Energy: 0.9651027244818141
Energy: 0.8053440714868847
Energy: 0.8780748484202795
Energy: 0.8777795007089053
Energy: 0.9029295193731885
Energy: 0.8777795007110377
Energy: 0.9775790861759122
Energy: 0.7849781886601295
Energy: 0.857431516945201
Energy: 0.784978188662262
Energy: 0.9496532451058216
Energy: 0.7872718608686966
Energy: 0.8647800412101675
Energy: 0.787271860871847
Energy: 0.9169732328955814
Energy: 0.7735817185904734
Energy: 0.8889347625694679
Energy: 0.773581718592606
Energy: 0.8833014938267846
Energy: 0.7744653835137825
Energy: 0.954751780897419
Energy: 0.7744653835148486
Energy: 0.8867413774348538
Energy: 0.7769214944670482
Energy: 0.9151917823277017
Energy: 0.7769214944670482
Energy: 0.9193348263178989
Energy: 0.7792648017228873
Energy: 0.9155801189687903
Energy: 0.7792648017218208
Energy: 0.912872446807675
Energy: 0.7697032251435784
Energy: 0.9202221168089822
Energy: 0.7697032251489093
Energy: 0.9160741317683921
Energy: 0.777654808077601
Energy: 0.918888034095332
Energy: 0.777654808077601
Energy: 0.9159906212217865
Energy: 0.7783565528103052
Energy: 0.8917651549134826
Energy: 0.7783565528081728
Energy: 0.9565910315116091
Energy: 0.7740135651609309
Energy: 0.8843296215273176
Energy: 0.7740135651587985
Energy: 0.9557972219493305
Energy: 0.7741617684964813
Energy: 0.9158067686835797
Energy: 0.7741617684943489
Energy: 0.8736060902981458
Energy: 0.7856482707021765
Energy: 0.9098425508955731
Energy: 0.7856482707053751
Energy: 0.8574897133968866
Energy: 0.7847128775644937
Energy: 0.9407588847239744
Energy: 0.7847128775666262
Energy: 0.9029922207882846
Energy: 0.9157240348004388
Energy: 0.878578219418992
Energy: 0.9157240347929753
Energy: 0.9034617986914941
Energy: 0.8061370390767475
Energy: 0.8514260090939729
Energy: 0.8061370390756813
Energy: 0.941320229688526
Energy: 0.8056763719171568
Energy: 0.8497882331743645
Energy: 0.8056763719192894
Energy: 0.8738932083922099
Energy: 0.8949921401077487
Energy: 0.8770485195261156
Energy: 0.8949921404850513
Energy: 0.8476914683210897
Energy: 0.8374451287267441
Energy: 0.8835290058964174
Energy: 0.8374451287235939
Energy: 0.8543745929069037
Energy: 0.8374762732794154
Energy: 0.8824275363018717
Energy: 0.8374762732794154
Energy: 0.8480057005729544
Energy: 0.8791266783165311
Energy: 0.8939946759136184
Energy: 0.8791266781375002
Energy: 0.8897493296275819
Energy: 0.8658745785243649
Energy: 0.8614363756547122
Energy: 0.8658745785264974
Energy: 0.8675053355284813
Energy: 0.866360956597757
Energy: 0.8740660967450672
Energy: 0.8663609565966908
Energy: 0.8486606295514552
Energy: 0.8556944663758911
Energy: 0.8688368807935801
Energy: 0.8556944663737585
Energy: 0.9948415303349124
Energy: 0.8679616126909809
Energy: 0.8660466651752187
Energy: 0.8679616126909809
Energy: 0.8627361638865224
Energy: 0.8690985268274922
Energy: 0.8485933702767887
Energy: 0.8690985268317573
Energy: 0.8404759744357809
Energy: 0.8678706124312842
Energy: 0.8626054860510777
Energy: 0.8678706124366155

minimum gb energy = 0.7697032251435784 eV
minimum distance =  2.26442072535428 Angstroms
sigma value = 85


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

Energy: 1.1068900942412925
Energy: 0.8949620960739599
Energy: 0.8819396461760761
Energy: 0.7828211563853129
Energy: 0.7620488303854855
Energy: 0.7600137634823778
Energy: 0.7903188206821328
Energy: 0.7600137634860769
Energy: 0.7618180193313628
Energy: 0.7636772999335544
Energy: 0.79411790710011
Energy: 0.7636772999335544
Energy: 0.7622985162580239
Energy: 0.7634399973711966
Energy: 0.7708763543822403
Energy: 0.7634399973711966
Energy: 0.7898386451701945
Energy: 0.7890373695961136
Energy: 0.7905153296190954
Energy: 0.7890373695887155
Energy: 0.7487122946898569
Energy: 0.7454326629783388
Energy: 0.7579820223053308
Energy: 0.7454326629792636
Energy: 0.747635888967102
Energy: 0.7457207177142128
Energy: 0.7581389583937052
Energy: 0.7457207177151376
Energy: 0.8182755039814845
Energy: 0.7911555058003711
Energy: 0.758870707078043
Energy: 0.7911555058179414
Energy: 0.764204408335867
Energy: 0.725235377275492
Energy: 0.7570642814655617
Energy: 0.725235377275492
Energy: 0.7641224937240697
Energy: 0.7248344030005162
Energy: 0.7534053089105238
Energy: 0.7248344030023657
Energy: 0.7854442628343717
Energy: 0.8218340776495452
Energy: 0.8183377016737157
Energy: 0.8218340786062402
Energy: 0.94064712747301
Energy: 0.7134648564158048
Energy: 0.7806848521947767
Energy: 0.7134648564158048
Energy: 0.8310552700559639
Energy: 0.7148113386986877
Energy: 0.7956614428587757
Energy: 0.7148113386996124
Energy: 0.8300998989554694
Energy: 0.7086880702535499
Energy: 0.8072841379745344
Energy: 0.7086880702544746
Energy: 0.8051175269545744
Energy: 0.708116689034625
Energy: 0.9064715653307012
Energy: 0.7081166890337004
Energy: 0.8176443072999143
Energy: 0.7093704774197636
Energy: 0.8415735655335234
Energy: 0.7093704774197636
Energy: 0.8907122272633754
Energy: 0.7072614241126386
Energy: 0.8421001176013563
Energy: 0.707261424111714
Energy: 0.8911914262577681
Energy: 0.705667458572072
Energy: 0.8307159709806514
Energy: 0.7056674585729967
Energy: 0.8469196540179458
Energy: 0.7060175676879262
Energy: 0.840059915499829
Energy: 0.7060175676897756
Energy: 0.8467611534254198
Energy: 0.7062533360690789
Energy: 0.8655749318124356
Energy: 0.7062533360690789
Energy: 0.8593848729266267
Energy: 0.707607208972682
Energy: 0.8600486231003605
Energy: 0.7076072089717574
Energy: 0.8315487829822716
Energy: 0.7050538130079239
Energy: 0.8470820206485129
Energy: 0.7050538130060745
Energy: 0.8357276345716026
Energy: 0.7058868910083349
Energy: 0.8529956485130135
Energy: 0.7058868910083349
Energy: 0.8318717701963584
Energy: 0.7061499382162141
Energy: 0.8910581600481088
Energy: 0.7061499382180634
Energy: 0.8422469420221618
Energy: 0.8724809814746909
Energy: 0.8224878879301861
Energy: 0.8724809816808259
Energy: 0.9114846032575618
Energy: 0.7085125449535334
Energy: 0.8062626152965026
Energy: 0.7085125449535334
Energy: 0.86767612305928
Energy: 0.7085078120559261
Energy: 0.8036464109687249
Energy: 0.7085078120587003
Energy: 0.8059365438777492
Energy: 0.8055114332759997
Energy: 0.8302328629359673
Energy: 0.8055114332759997
Energy: 0.783680522646472
Energy: 0.7133787945442693
Energy: 0.7715200509793803
Energy: 0.7133787945433445
Energy: 0.7803570786692745
Energy: 0.714400754488091
Energy: 0.7667958445254965
Energy: 0.7144007544871662
Energy: 0.8188700892928711
Energy: 0.7668403579853691
Energy: 0.7670511497937076
Energy: 0.7668403579862939
Energy: 0.8451287290868833
Energy: 0.7243731767985263
Energy: 0.7692067157184402
Energy: 0.7243731767985263
Energy: 0.7625243286958634
Energy: 0.7259366351099175
Energy: 0.7644080298867015
Energy: 0.7259366351089929
Energy: 0.7585253747566321
Energy: 0.7588350262829819
Energy: 0.8181906654250031
Energy: 0.7588350262931541
Energy: 0.7640517344820136
Energy: 0.7447412199841593
Energy: 0.8700270231277432
Energy: 0.7447412199850839
Energy: 0.7589024076394862
Energy: 0.7474217174077614
Energy: 0.7896465530661687
Energy: 0.7474217174068367
Energy: 0.7768672400708586
Energy: 0.7928820280365824
Energy: 0.7893744761152155
Energy: 0.7928820280356575
Energy: 0.7746022168382779
Energy: 0.7624185416235907
Energy: 0.7637428120813602
Energy: 0.7624185416235907
Energy: 0.7911673770325095
Energy: 0.764699221289021
Energy: 0.7620987162771309
Energy: 0.7646992213065703
Energy: 0.790240985834857
Energy: 0.7609672115453213
Energy: 0.8152435573696741
Energy: 0.7609672115490204
Energy: 0.762024141815344
Energy: 0.7630767811501191
Energy: 0.7801566092170161
Energy: 0.7630767811501191
Energy: 0.7619384662064222
Energy: 0.7634520909030602
Energy: 0.7620416740420524
Energy: 0.7634520908993612
Energy: 0.7874113298356954
Energy: 0.7627076348076954
Energy: 0.7620759512408993
Energy: 0.7627076348086201

minimum gb energy = 0.7050538130060745 eV
minimum distance =  2.26975815733712 Angstroms
sigma value = 113


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

Energy: 0.014416825938122713
Energy: 0.10389576303196053
Energy: 0.8613560128138259
Energy: 0.014551333343838645
Energy: 0.09402214471200435
Energy: 0.10489374763872324
Energy: 0.09389452330628875
Energy: 0.10489374763801235
Energy: 0.09047270512884084
Energy: 0.10475902016776129
Energy: 0.01506524439528714
Energy: 0.10475902016847218
Energy: 0.09021065465601319
Energy: 0.10596970621618691
Energy: 0.0165699361099911
Energy: 0.10596970621618691
Energy: 0.09191212475998844
Energy: 0.103942101841932
Energy: 0.09185298377924453
Energy: 0.103942101841932
Energy: 0.015111731401794365
Energy: 0.10539143599380599
Energy: 0.09013913023388187
Energy: 0.10539143599451688

minimum gb energy = 0.014416825938122713 eV
minimum distance =  2.44470011351381 Angstroms
sigma value = 1