Model name: model_name=Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Fe__SM_267016608755_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=2.851000025868416
cohesive_energy=4.2903373401975164
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013334455623719793
Energy: 0.01373697220608002
Energy: 2.826821474727456
Energy: 0.01373697220608002
Energy: 0.01373697220608002
Energy: 0.013993488803364254
Energy: 0.7287580052026871
Energy: 0.013993488803364254
Energy: 2.8268214747264757
Energy: 0.7287580052017066
Energy: 0.7287220445248577
Energy: 0.7287580052026871
Energy: 0.01373697220608002
Energy: 0.013993488803364254
Energy: 0.7287580052017066
Energy: 0.013993488803364254

minimum gb energy = 0.013334455623719793 eV
minimum distance =  2.4650158645283 Angstroms
sigma value = 1


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

Energy: 1.3725123724299595
Energy: 0.9019957488502779
Energy: 0.9106488551964944
Energy: 0.9019957488502779
Energy: 1.4046206377288826
Energy: 0.8637527880241782
Energy: 0.9900172583207074
Energy: 0.8637527880229552
Energy: 1.5349587633745219
Energy: 0.9274684969137338
Energy: 0.8972324933877399
Energy: 0.9274684969137338
Energy: 1.2566949410601223
Energy: 0.8661445567138563
Energy: 0.960840504276634
Energy: 0.8661445567150792
Energy: 1.298827652766031
Energy: 0.8655796725743876
Energy: 1.303246420845361
Energy: 0.8655796725743876
Energy: 1.4281528717908907
Energy: 0.8750081399467378
Energy: 0.8747269985151759
Energy: 0.8750081399467378
Energy: 1.054819797801511
Energy: 0.8761898156647324
Energy: 0.8746517451749886
Energy: 0.8761898156647324
Energy: 0.867124151864539
Energy: 0.8723082675850576
Energy: 1.2771406670654266
Energy: 0.8723082675850576
Energy: 1.0639096395892582
Energy: 0.8726157125033421
Energy: 1.2250807460787851
Energy: 0.8726157125033421
Energy: 1.528197838198794
Energy: 0.8747734547873297
Energy: 1.1116304418676362
Energy: 0.8747734547873297
Energy: 0.8952376475944072
Energy: 0.9356356134191648
Energy: 1.227195414562311
Energy: 0.9356356134191648
Energy: 0.895303853321265
Energy: 0.8952235113602837
Energy: 1.8866142824579197
Energy: 0.8952235113602837
Energy: 1.0851424713603537
Energy: 0.8634385264248459
Energy: 1.253811329367367
Energy: 0.8634385264260689
Energy: 0.9250758880225347
Energy: 0.8633476214656436
Energy: 1.3622030304700592
Energy: 0.8633476214656436
Energy: 0.9106740686708974
Energy: 0.8728262673170656
Energy: 1.410465405483054
Energy: 0.8728262673170656
Energy: 0.9712894398591995
Energy: 0.8727169342880852
Energy: 1.4103132720955316
Energy: 0.8727169342880852
Energy: 0.9248561547276151
Energy: 0.86337104872432
Energy: 1.3644366566827606
Energy: 0.86337104872432
Energy: 1.0903611191662668
Energy: 1.223891147276239
Energy: 1.254913021384631
Energy: 1.2238911472774618
Energy: 0.8842893371516151
Energy: 0.895226708827994
Energy: 1.9416350135835316
Energy: 0.895226708827994
Energy: 0.8951358774417818
Energy: 0.9354024569314936
Energy: 1.0549937162259284
Energy: 0.9354024569314936
Energy: 1.5281045630411125
Energy: 0.8747575853966402
Energy: 1.1112927225131943
Energy: 0.8747575853954171
Energy: 1.0639201843559165
Energy: 0.8656744631989007
Energy: 1.2251225486562174
Energy: 0.8656744631989007
Energy: 1.1265567976058848
Energy: 0.8724976194247107
Energy: 1.0730473003815564
Energy: 0.8724976194247107
Energy: 1.2453284440962078
Energy: 0.8748736505279322
Energy: 0.8747369429905045
Energy: 0.8748736505267093
Energy: 1.428036401862006
Energy: 0.874901690811785
Energy: 0.8749080975071483
Energy: 0.874901690811785
Energy: 1.3358916756887427
Energy: 0.8656891718330016
Energy: 1.3033060835948107
Energy: 0.8656891718330016
Energy: 1.255638348853109
Energy: 0.8661479742819816
Energy: 0.910173098846628
Energy: 0.8661479742819816
Energy: 1.6425360266796565
Energy: 0.9274372514461017
Energy: 0.8979045168143783
Energy: 0.9274372514461017
Energy: 1.404579879017674
Energy: 0.8639572401065184
Energy: 0.9920182092438742
Energy: 0.8639572401065184
Energy: 1.3620277896594757
Energy: 0.865400874106798
Energy: 0.9275189514263529
Energy: 0.865400874106798
Energy: 1.406998373759995
Energy: 0.8636768719683402
Energy: 1.0019202308440163
Energy: 0.8636768719671172
Energy: 1.427001952312181
Energy: 0.893204793902192
Energy: 0.8979602005573327
Energy: 0.893204793903415
Energy: 1.3006470809149862
Energy: 0.865804749124652
Energy: 0.9900528094596848
Energy: 0.8658047491258751

minimum gb energy = 0.8633476214656436 eV
minimum distance =  2.33803524790936 Angstroms
sigma value = 1


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

Energy: 1.4848874210470688
Energy: 0.9035380490294233
Energy: 0.9694811067099687
Energy: 0.9035380490294233
Energy: 1.28019567164188
Energy: 0.958581631349906
Energy: 1.1559303349375152
Energy: 0.958581631349906
Energy: 1.3187650390515862
Energy: 0.9415944719985759
Energy: 0.9417388593063302
Energy: 0.9415944719985759
Energy: 0.8808396520771865
Energy: 0.9190255412475098
Energy: 1.1553055155903695
Energy: 0.9190255412489042
Energy: 0.8808674575140818
Energy: 0.9187720893458666
Energy: 1.4881735848233408
Energy: 0.9187720893458666
Energy: 1.3188442556243116
Energy: 0.9185098652149477
Energy: 0.9185040693395555
Energy: 0.9185098652149477
Energy: 1.0029233298019236
Energy: 0.9587604530329599
Energy: 0.9185143566161893
Energy: 0.9587604530329599
Energy: 0.9185069900540993
Energy: 0.918482663140739
Energy: 1.458715890939436
Energy: 0.918482663140739
Energy: 1.0028944346343307
Energy: 0.9582290324285564
Energy: 1.3214034693387147
Energy: 0.9582290324285564
Energy: 1.9185110165376522
Energy: 0.8810222844775313
Energy: 0.8809076842886656
Energy: 0.8810222844775313
Energy: 1.0042562187684778
Energy: 0.99911737901691
Energy: 1.3222978267195076
Energy: 0.99911737901691
Energy: 1.0042022110277522
Energy: 0.9185291408595261
Energy: 1.7836312589345014
Energy: 0.9185291408595261
Energy: 1.0260173633189507
Energy: 0.8811001776593872
Energy: 1.376315891062821
Energy: 0.8811001776579928
Energy: 1.0260173633175564
Energy: 0.8809907638449744
Energy: 1.3763079557922597
Energy: 0.8809907638449744
Energy: 1.0041958026323985
Energy: 0.9185235185448386
Energy: 1.7836921424271472
Energy: 0.9185235185448386
Energy: 1.0042972139126467
Energy: 0.9979467292021011
Energy: 1.3223282947202282
Energy: 0.9979467292021011
Energy: 1.9185110165376522
Energy: 0.8810399224505983
Energy: 0.8809053633016729
Energy: 0.8810399224505983
Energy: 0.942125337970549
Energy: 0.9581728910964747
Energy: 1.3214478586101026
Energy: 0.9581728910950803
Energy: 0.9185083730189919
Energy: 0.9184816231827555
Energy: 1.458715890939436
Energy: 0.9184816231827555
Energy: 1.0028916730573976
Energy: 0.958834746706304
Energy: 0.9185161584541737
Energy: 0.958834746706304
Energy: 1.3188832178028513
Energy: 0.9185117773934813
Energy: 0.9185010433955318
Energy: 0.9185117773934813
Energy: 0.8808538676301795
Energy: 0.9187519484330173
Energy: 1.4881735848247355
Energy: 0.9187519484330173
Energy: 0.8808382228728271
Energy: 0.9190001581104681
Energy: 1.1553055155903695
Energy: 0.9190001581118625
Energy: 1.3187234215165529
Energy: 0.9415410480041028
Energy: 0.9416679725163289
Energy: 0.9415410480041028
Energy: 1.2801949432466166
Energy: 0.9584713267619787
Energy: 1.1559303349361207
Energy: 0.9584713267619787
Energy: 1.4848874210470688
Energy: 0.9035380490294233
Energy: 0.9694811111576095
Energy: 0.9035380490294233
Energy: 1.28019567164188
Energy: 0.958581631349906
Energy: 1.1559303349375152
Energy: 0.958581631349906
Energy: 1.3187650390501917
Energy: 0.9415944719985759
Energy: 0.9417388593063302
Energy: 0.9415944719985759
Energy: 0.8808396520771865
Energy: 0.9190255412475098
Energy: 1.1553055155903695
Energy: 0.9190255412489042

minimum gb energy = 0.8808382228728271 eV
minimum distance =  2.32520546608617 Angstroms
sigma value = 25


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

Energy: 1.2848553650665169
Energy: 0.9698724395530393
Energy: 1.0156516074371136
Energy: 0.9698724395530393
Energy: 1.3932473885831778
Energy: 0.9474125385788288
Energy: 1.2155440846657595
Energy: 0.9474125385788288
Energy: 1.455267915387944
Energy: 1.0072263047673284
Energy: 1.0084922263270066
Energy: 1.0072263047673284
Energy: 1.207832520509922
Energy: 0.9454915539733805
Energy: 1.1262934154484776
Energy: 0.9454915539733805
Energy: 1.2069831526270864
Energy: 0.9456478522112932
Energy: 1.2255288278588037
Energy: 0.9456478522112932
Energy: 1.4328522066436489
Energy: 0.947423171950773
Energy: 0.9472933392029275
Energy: 0.947423171950773
Energy: 0.984830153334093
Energy: 0.9729672043817822
Energy: 0.9472600044510752
Energy: 0.9729672043834033
Energy: 0.9560757886501
Energy: 0.9845944410559433
Energy: 1.7993209486503143
Energy: 0.9845944410559433
Energy: 1.0782222262191405
Energy: 1.0370236141991267
Energy: 1.1910532694510665
Energy: 1.0370236142007476
Energy: 1.0835019177910532
Energy: 0.9333185375227157
Energy: 1.260399784568351
Energy: 0.9333185375227157
Energy: 1.0837541249841296
Energy: 1.0361802205552002
Energy: 1.4118990401187481
Energy: 1.0361802205535793
Energy: 1.0472758031874077
Energy: 0.9845100862319709
Energy: 1.4078285849169356
Energy: 0.9845100862319709
Energy: 1.0487071540870763
Energy: 0.9333287203038858
Energy: 1.2589152409793831
Energy: 0.9333287203038858
Energy: 1.0779640288130161
Energy: 1.0368893434697524
Energy: 1.1908755103955317
Energy: 1.0368893434697524
Energy: 0.9846633604497113
Energy: 0.984691562646519
Energy: 1.7996289623755157
Energy: 0.984691562646519
Energy: 0.9847663392538776
Energy: 0.9454881200116414
Energy: 0.9473097424837839
Energy: 0.9454881200116414
Energy: 1.7629806491109705
Energy: 0.9473598869874948
Energy: 0.947167259228223
Energy: 0.9473598869874948
Energy: 1.2066676960452634
Energy: 0.9456535642459375
Energy: 1.227176894300725
Energy: 0.9456535642459375
Energy: 1.1052258735714915
Energy: 0.9455006730620473
Energy: 1.1263200093720578
Energy: 0.9455006730636684
Energy: 1.185933808750928
Energy: 0.9470758841078233
Energy: 0.9935861127199098
Energy: 0.9470758841078233
Energy: 1.393017463803538
Energy: 0.9476190246349268
Energy: 1.0072581902830275
Energy: 0.9476190246349268
Energy: 1.2566157325527678
Energy: 0.9356260834926343
Energy: 1.049204761624026
Energy: 0.9356260834926343
Energy: 1.394843023281042
Energy: 1.024293337183648
Energy: 1.1268628981165005
Energy: 1.024293337185269
Energy: 1.5999906281129053
Energy: 1.0071566297647099
Energy: 1.0076139228101915
Energy: 1.0071566297647099
Energy: 1.207219561912402
Energy: 0.9457335829690257
Energy: 0.9844713742099792
Energy: 0.9457335829690257

minimum gb energy = 0.9333185375227157 eV
minimum distance =  2.33717715252634 Angstroms
sigma value = 9


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

Energy: 1.818587335934274
Energy: 1.1660951736020282
Energy: 1.074561188744192
Energy: 1.1660951736020282
Energy: 1.1546063205036452
Energy: 1.0402789521209703
Energy: 0.9959938472364493
Energy: 1.0402789521211682
Energy: 1.298946879527702
Energy: 1.028632055324032
Energy: 1.028692503969548
Energy: 1.0286320553238562
Energy: 1.218815870279896
Energy: 0.9975843600852909
Energy: 0.9955795695762839
Energy: 0.9975843600854667
Energy: 1.1915793447962653
Energy: 0.9976031767839718
Energy: 1.1976652512145713
Energy: 0.9976031767841476
Energy: 1.705188055282892
Energy: 0.9977112954672901
Energy: 1.2189893003576768
Energy: 0.9977112954670924
Energy: 1.0288439840609407
Energy: 1.0283877111541513
Energy: 1.189813329182888
Energy: 1.028387711154327
Energy: 1.1161259876098064
Energy: 1.1159350106510064
Energy: 1.5550397086003576
Energy: 1.1159350106510064
Energy: 1.3407422278753682
Energy: 1.087817736319273
Energy: 0.9227054674428828
Energy: 1.087817736319097
Energy: 1.2442665130510957
Energy: 0.9227170304314354
Energy: 0.9226364681988924
Energy: 0.9227170304316112
Energy: 0.9985449337502847
Energy: 0.9838082528768674
Energy: 1.5582718819604695
Energy: 0.9838082528768674
Energy: 1.1304220417229114
Energy: 0.9227291667224108
Energy: 1.2989059544979908
Energy: 0.9227291667224108
Energy: 1.340414977173863
Energy: 1.21543883501715
Energy: 1.2236549648721782
Energy: 1.2154388350169525
Energy: 1.2817534537552924
Energy: 1.0255784605652807
Energy: 1.1892063914437645
Energy: 1.0255784605652807
Energy: 1.2236993652132846
Energy: 1.2155166301573856
Energy: 1.4698272259584082
Energy: 1.2155166301575833
Energy: 1.191429183199085
Energy: 0.9226404638139051
Energy: 1.028972433718985
Energy: 0.9226404638139051
Energy: 1.5690965507090093
Energy: 0.9978287052500253
Energy: 0.9979469031179666
Energy: 0.9978287052498275
Energy: 1.1674485117853186
Energy: 1.164970800772668
Energy: 1.2093897657967472
Energy: 1.1649708007724702
Energy: 1.1544661071319526
Energy: 0.9977504578273263
Energy: 1.35726942183857
Energy: 0.9977504578269307
Energy: 1.5688480438864245
Energy: 1.0286218580801916
Energy: 1.028609626723857
Energy: 1.0286218580799937
Energy: 1.1895453113395924
Energy: 0.9977470872424954
Energy: 0.9979206577763166
Energy: 0.9977470872426931

minimum gb energy = 0.9226364681988924 eV
minimum distance =  2.30729593302315 Angstroms
sigma value = 25


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

Energy: 1.051332443079862
Energy: 1.7011997171631748
Energy: 1.2481824874042196
Energy: 1.7011997171631748
Energy: 1.4864957002156063
Energy: 1.1528328552369629
Energy: 1.1384395783634358
Energy: 1.1528328552369629
Energy: 1.3734779108739377
Energy: 1.0942878369664366
Energy: 1.0946107930945166
Energy: 1.094287836966681
Energy: 1.0410534225419235
Energy: 1.1169714030997346
Energy: 1.0423400672036973
Energy: 1.1169714030997346
Energy: 1.2587454531638098
Energy: 0.9842683365599868
Energy: 1.463080222774528
Energy: 0.9842683365602314
Energy: 1.632815496500682
Energy: 1.0555295518954853
Energy: 1.0555403700970678
Energy: 1.0555295518954853
Energy: 1.2879587787980344
Energy: 1.1171907001795411
Energy: 1.0552445890649187
Energy: 1.1171907001795411
Energy: 1.2198500865337747
Energy: 1.162768499329155
Energy: 1.5555660943728773
Energy: 1.162768499329155
Energy: 1.2447796669215327
Energy: 1.0552234918154357
Energy: 1.055493844447418
Energy: 1.0552234918154357
Energy: 1.306287890105469
Energy: 1.0552972208883806
Energy: 1.0556456873302873
Energy: 1.055297220888625
Energy: 1.1168699562925293
Energy: 1.1170162919174258
Energy: 1.4262593555670688
Energy: 1.1170162919174258
Energy: 1.1167795471145294
Energy: 1.05508938597632
Energy: 1.093963926092559
Energy: 1.0550893859765647
Energy: 1.3745019356654042
Energy: 1.0943209117795736
Energy: 1.0949029421012857
Energy: 1.0943209117795736
Energy: 1.5076057123457298
Energy: 1.1101323838902784
Energy: 1.4441683036218262
Energy: 1.1101323838900607
Energy: 1.2795034968305015
Energy: 0.9835678411876483
Energy: 1.440202276212185
Energy: 0.9835678411876483
Energy: 1.4861263632099797
Energy: 1.0463626067229246
Energy: 1.0941681736695468
Energy: 1.0463626067229246
Energy: 1.1170877310329324
Energy: 1.0549839105044403
Energy: 1.095775576587486
Energy: 1.0549839105044403

minimum gb energy = 0.9835678411876483 eV
minimum distance =  2.29732381603131 Angstroms
sigma value = 17


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

Energy: 1.5104182210862322
Energy: 1.4867022114195887
Energy: 1.3338836775851493
Energy: 1.4867022114195887
Energy: 1.40381144079698
Energy: 1.3265626897693736
Energy: 1.2422769290992406
Energy: 1.3265626897693736
Energy: 1.341968956359228
Energy: 1.157383856865886
Energy: 1.1457441563492685
Energy: 1.157383856865886
Energy: 1.1422897104257406
Energy: 1.1410784970283734
Energy: 1.189944939978128
Energy: 1.1410784970283734
Energy: 1.1756168416322859
Energy: 1.1674073713636304
Energy: 1.3542822168127608
Energy: 1.1674073713636304
Energy: 1.422207373854424
Energy: 1.0734878547827376
Energy: 1.1218858944854984
Energy: 1.0734878547827376
Energy: 1.3044670932780482
Energy: 1.1410685991283507
Energy: 1.3492943162975013
Energy: 1.1410685991283507
Energy: 1.178840688804113
Energy: 1.1199357769417622
Energy: 1.431799825443959
Energy: 1.1199357769417622
Energy: 1.1617711573861897
Energy: 1.1519638124022844
Energy: 1.1005074064109843
Energy: 1.1519638124022844
Energy: 1.4509456532696745
Energy: 1.0756103122245109
Energy: 1.2352232585914023
Energy: 1.0756103122231566
Energy: 1.1280238779237255
Energy: 1.1279496938678395
Energy: 1.4433468763991322
Energy: 1.1279496938678395
Energy: 1.1280647870818925
Energy: 1.152290053852354
Energy: 1.242975628571567
Energy: 1.152290053852354
Energy: 1.383996266414001
Energy: 1.1782139502660929
Energy: 1.230058835670127
Energy: 1.1782139502660929
Energy: 1.1279467831092864
Energy: 1.1279069682163498
Energy: 1.24185670470863
Energy: 1.1279069682163498
Energy: 1.1281118839458262
Energy: 1.0963318965107482
Energy: 1.439158121879032
Energy: 1.0963318965107482
Energy: 1.4556382680933406
Energy: 1.152035839795841
Energy: 1.0994201217142792
Energy: 1.152035839795841
Energy: 1.1786048048044846
Energy: 1.0963057648266845
Energy: 1.1520787180023966
Energy: 1.0963057648266845
Energy: 1.1589908811710485
Energy: 1.1927303653494365
Energy: 1.3505902953699487
Energy: 1.1927303653494365
Energy: 1.3043255956752813
Energy: 1.07400364463431
Energy: 1.393654600067413
Energy: 1.07400364463431
Energy: 1.5324745258721746
Energy: 1.0735521881856378
Energy: 1.3964936888665453
Energy: 1.0735521881856378
Energy: 1.1199264947759167
Energy: 1.1929591558483177
Energy: 1.4049728314864522
Energy: 1.1929591558483177
Energy: 1.1200306531425832
Energy: 1.2062724263825924
Energy: 1.1576253806223575
Energy: 1.2062724263825924
Energy: 1.3708378287787306
Energy: 1.1572824555154346
Energy: 1.1346561413754845
Energy: 1.1572824555154346
Energy: 1.384875426818923
Energy: 1.1240116518353263
Energy: 1.4505687173135517
Energy: 1.1240116518353263
Energy: 1.3821930261573792
Energy: 1.1242002051511029
Energy: 1.4501806496443366
Energy: 1.1242002051497484
Energy: 1.404001103832061
Energy: 1.1574446226725668
Energy: 1.15742482990905
Energy: 1.157444622671212
Energy: 1.1200023571594653
Energy: 1.1525015498940403
Energy: 1.1580027960314065
Energy: 1.1525015498940403
Energy: 1.1203775332834398
Energy: 1.1198109342807547
Energy: 1.4249023809857388
Energy: 1.1198109342807547
Energy: 1.3855795811464597
Energy: 1.0749884349012506
Energy: 1.3934229567972498
Energy: 1.0749884349012506
Energy: 1.3042140488870115
Energy: 1.0734547693184502
Energy: 1.1202262478485696
Energy: 1.0734547693184502

minimum gb energy = 1.0734547693184502 eV
minimum distance =  2.28953019667616 Angstroms
sigma value = 53


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

Energy: 1.1406054217724666
Energy: 1.140844125090637
Energy: 1.4023219991208664
Energy: 1.140844125090637
Energy: 1.2530650033983017
Energy: 1.3005989636972455
Energy: 1.253159991034765
Energy: 1.3005989636975643
Energy: 1.639313109399328
Energy: 1.2918470780260587
Energy: 1.2935856179924163
Energy: 1.2918470780260587
Energy: 1.29356950850845
Energy: 1.2918791472599005
Energy: 1.6392406888482056
Energy: 1.2918791472602196
Energy: 1.2531606034321066
Energy: 1.3005759455503327
Energy: 1.2530717409473502
Energy: 1.300575945550049
Energy: 2.655363760839663
Energy: 1.1408441250909205
Energy: 1.1406054217724666
Energy: 1.1408441250909205
Energy: 1.253159991034765
Energy: 1.3005989636972455
Energy: 1.2530650033983017
Energy: 1.3005989636972455
Energy: 1.2935856179920975
Energy: 1.2918470780260587
Energy: 1.6393131093996112
Energy: 1.2918470780260587
Energy: 1.6392406888482056
Energy: 1.2918791472599005
Energy: 1.2935695085081313
Energy: 1.2918791472602196
Energy: 1.2530717409463934
Energy: 1.300575945550049
Energy: 1.2531606034321066
Energy: 1.3005759455503327
Energy: 1.1406054217724666
Energy: 1.140844125090637
Energy: 1.4023219984040396
Energy: 1.140844125090637
Energy: 1.2530650033983017
Energy: 1.3005989636969266
Energy: 1.253159991034765
Energy: 1.3005989636972455
Energy: 1.63931310939993
Energy: 1.2918470780260587
Energy: 1.2935856179924163
Energy: 1.2918470780260587

minimum gb energy = 1.1406054217724666 eV
minimum distance =  2.38486162202039 Angstroms
sigma value = 9


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

Energy: 1.3255441075422296
Energy: 1.234643918014303
Energy: 1.4631027724840904
Energy: 1.234643918014303
Energy: 1.5068149600719603
Energy: 1.4118924563561288
Energy: 1.4022180749209427
Energy: 1.4118924563572828
Energy: 1.2836657075615636
Energy: 1.2019150327094255
Energy: 1.202153728261697
Energy: 1.2019150327094255
Energy: 1.217208906793153
Energy: 1.2315975000937727
Energy: 1.3608582014763049
Energy: 1.2315975000937727
Energy: 1.2896779347573277
Energy: 1.184010608995985
Energy: 1.5147526118284051
Energy: 1.184010608995985
Energy: 1.5459882454545038
Energy: 1.3378323217533739
Energy: 1.3241572927695604
Energy: 1.3378323217522199
Energy: 1.3599827225611927
Energy: 1.2804225411669448
Energy: 1.5362226093073343
Energy: 1.2804225411669448
Energy: 1.1846559462077306
Energy: 1.2295539613605166
Energy: 1.3028145246026916
Energy: 1.2295539613605166
Energy: 1.2809268766613142
Energy: 1.202494096868267
Energy: 1.2483755501868787
Energy: 1.202494096868267
Energy: 1.3343777064441062
Energy: 1.202417236605103
Energy: 1.329834952263862
Energy: 1.202417236605103
Energy: 1.2022450448226203
Energy: 1.3486295065430756
Energy: 1.5356959417860085
Energy: 1.3486295065419214
Energy: 1.559404044270598
Energy: 1.3243548357773447
Energy: 1.3152882114928166
Energy: 1.3243548357773447
Energy: 1.2833558261406108
Energy: 1.2089284524886
Energy: 1.2119046652868415
Energy: 1.2089284524886
Energy: 1.2884729007682831
Energy: 1.3665995939360993
Energy: 1.4237264721373672
Energy: 1.3665995939360993
Energy: 1.29294226484919
Energy: 1.2301267903655693
Energy: 1.2091736034098421
Energy: 1.2301267903655693
Energy: 1.5291029212183254
Energy: 1.2090318735837131
Energy: 1.2145559335053273
Energy: 1.2090318735837131
Energy: 1.3891778962939176
Energy: 1.2098601285163137
Energy: 1.571818135721549
Energy: 1.2098601285163137
Energy: 1.2043367207301956
Energy: 1.3487585872001746
Energy: 1.3264105780745812
Energy: 1.3487585872001746
Energy: 1.554177790313134
Energy: 1.3162848522813189
Energy: 1.2639070621216177
Energy: 1.3162848522813189
Energy: 1.2295621979293996
Energy: 1.209503313978887
Energy: 1.2446609157864224
Energy: 1.209503313978887
Energy: 1.1836768573943715
Energy: 1.2297878712997934
Energy: 1.6806464065450664
Energy: 1.2297878713009476
Energy: 1.5186466462948538
Energy: 1.1845732448485744
Energy: 1.3215794195880475
Energy: 1.1845732448485744
Energy: 1.4122210771472998
Energy: 1.3596812384759118
Energy: 1.323023107641818
Energy: 1.3596812384759118
Energy: 1.292535829876429
Energy: 1.3397600197109027
Energy: 1.6567317759590028
Energy: 1.3397600197120567
Energy: 1.2160644767013686
Energy: 1.2300137734802417
Energy: 1.2018397632726106
Energy: 1.2300137734802417
Energy: 1.615867156682946
Energy: 1.2622887558577895
Energy: 1.201993482253164
Energy: 1.2622887558577895
Energy: 1.4145164399391383
Energy: 1.177648102902379
Energy: 1.5515591552851213
Energy: 1.177648102902379
Energy: 1.3238204071181732
Energy: 1.1780189678102224
Energy: 1.5513853793010168
Energy: 1.1780189678102224
Energy: 1.6955321256330982
Energy: 1.263183452741873
Energy: 1.2475121900830775
Energy: 1.263183452741873
Energy: 1.215929487248075
Energy: 1.2311025931257267
Energy: 1.201948948778893
Energy: 1.2311025931257267
Energy: 1.2836210332331888
Energy: 1.2849266478761179
Energy: 1.7248292273796242
Energy: 1.2849266478761179
Energy: 1.4125815604104537
Energy: 1.1849151322521458
Energy: 1.3259145713795313
Energy: 1.1849151322521458
Energy: 1.5887482262776023
Energy: 1.184869365518793
Energy: 1.321413012256835
Energy: 1.184869365518793
Energy: 1.1837885352323365
Energy: 1.229799135139904
Energy: 1.680865816393123
Energy: 1.229799135139904
Energy: 1.2296076620654426
Energy: 1.2095510698343102
Energy: 1.244376744035786
Energy: 1.2095510698343102

minimum gb energy = 1.177648102902379 eV
minimum distance =  2.23938657137859 Angstroms
sigma value = 73


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

Energy: 1.3696932202700547
Energy: 1.3690992683866205
Energy: 1.4893632365084168
Energy: 1.3690992683864331
Energy: 1.4062195630089311
Energy: 1.2546689747080202
Energy: 1.3373247997937598
Energy: 1.2546689747080202
Energy: 1.321581638686047
Energy: 1.2725243882785144
Energy: 1.1809273956429431
Energy: 1.2725243882787014
Energy: 1.2411002603958134
Energy: 1.2020338633624796
Energy: 1.3757882702834645
Energy: 1.2020338633622922
Energy: 1.436768091699781
Energy: 1.2019688268122268
Energy: 1.394208029462818
Energy: 1.2019688268122268
Energy: 1.635478226689814
Energy: 1.397480793078398
Energy: 1.175729094642558
Energy: 1.397480793078398
Energy: 1.272382141383494
Energy: 1.3549226891885315
Energy: 1.4929220310107674
Energy: 1.3549226891885315
Energy: 1.202562574088911
Energy: 1.2018849955186899
Energy: 1.344394977029998
Energy: 1.2018849955186899
Energy: 1.5322633761322644
Energy: 1.2726359963668359
Energy: 1.335060547412775
Energy: 1.2726359963666487
Energy: 1.202365100470935
Energy: 1.2726238102344896
Energy: 1.3396990340250394
Energy: 1.2726238102344896
Energy: 1.2022686565051028
Energy: 1.202034238228728
Energy: 1.3459181148728505
Energy: 1.2020342382289149
Energy: 1.5569537522015986
Energy: 1.2024452959106877
Energy: 1.4297766133064718
Energy: 1.2024452959106877
Energy: 1.4292616372368951
Energy: 1.403557734587964
Energy: 1.175842312833335
Energy: 1.4035577345881511
Energy: 1.274415982542892
Energy: 1.3914143740387086
Energy: 1.683757107087441
Energy: 1.3914143740387086
Energy: 1.2405736712132263
Energy: 1.2023401039625217
Energy: 1.2725109803906907
Energy: 1.2023401039625217
Energy: 1.6131113830288957
Energy: 1.2730248680859526
Energy: 1.1811994377487898
Energy: 1.2730248680859526
Energy: 1.354617966523954
Energy: 1.1772573696742719
Energy: 1.6413165720805254
Energy: 1.1772573696740847
Energy: 1.355032144402568
Energy: 1.1758410510935557
Energy: 1.6405420220171358
Energy: 1.1758410510935557
Energy: 1.6440855348291343
Energy: 1.2730394052053904
Energy: 1.272828637100025
Energy: 1.2730394052055773
Energy: 1.2405582128168289
Energy: 1.2024013645106322
Energy: 1.1811156813649553
Energy: 1.2024013645108196
Energy: 1.321847835832137
Energy: 1.3830321656330211
Energy: 1.6845996004496602
Energy: 1.3830321656330211
Energy: 1.4293437716240986
Energy: 1.2022222176982655
Energy: 1.1758646010968898
Energy: 1.2022222176982655

minimum gb energy = 1.175729094642558 eV
minimum distance =  2.23930497741477 Angstroms
sigma value = 7


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

Energy: 1.564898488303925
Energy: 1.41218573650794
Energy: 1.4969394957525208
Energy: 1.41218573650794
Energy: 1.4592585944839425
Energy: 1.2663013274570916
Energy: 1.352200594856856
Energy: 1.2663013274570916
Energy: 1.2775895639980155
Energy: 1.237992953308941
Energy: 1.239023275638332
Energy: 1.2379929533076466
Energy: 1.2819447571401081
Energy: 1.1768761266580468
Energy: 1.3448480022433615
Energy: 1.1768761266580468
Energy: 1.3906472364353446
Energy: 1.2381204363653717
Energy: 1.17660088804477
Energy: 1.2381204363653717
Energy: 1.8012167768757406
Energy: 1.1765177139653524
Energy: 1.1778385728187781
Energy: 1.1765177139653524
Energy: 1.2289930035017778
Energy: 1.3030837046610553
Energy: 1.5723860277678858
Energy: 1.30308370466235
Energy: 1.177863041968498
Energy: 1.1765711487902957
Energy: 1.385972124797901
Energy: 1.1765711487902957
Energy: 1.6248864301352284
Energy: 1.2387369769734293
Energy: 1.331774429770154
Energy: 1.2387369769734293
Energy: 1.2378060420988455
Energy: 1.1769510373939065
Energy: 1.2823705321110344
Energy: 1.1769510373939065
Energy: 1.2378930980599905
Energy: 1.2385712481003928
Energy: 1.5200595633769318
Energy: 1.2385712481003928
Energy: 1.7249639628677471
Energy: 1.1770364140298772
Energy: 1.422909582951672
Energy: 1.1770364140298772
Energy: 1.7207574174557496
Energy: 1.176872277319466
Energy: 1.423322136242124
Energy: 1.176872277319466
Energy: 1.2386013264259481
Energy: 1.2393595699981748
Energy: 1.6736854254109286
Energy: 1.2393595699981748
Energy: 1.2377789308865474
Energy: 1.1772250613599233
Energy: 1.2772583803377167
Energy: 1.1772250613599233
Energy: 1.6473371040953575
Energy: 1.3661024515236337
Energy: 1.2821000549687023
Energy: 1.3661024515236337
Energy: 1.1764608400181444
Energy: 1.1771534889904185
Energy: 1.3858181004664571
Energy: 1.1771534889904185
Energy: 1.1764980093109432
Energy: 1.238203201859017
Energy: 1.6024826647457167
Energy: 1.238203201859017
Energy: 1.8104645850036745
Energy: 1.1770480858950587
Energy: 1.1765966888784132
Energy: 1.1770480858950587
Energy: 1.3944275711155163
Energy: 1.2383609001674263
Energy: 1.1766895080590292
Energy: 1.2383609001674263
Energy: 1.2776036313153494
Energy: 1.282135266353536
Energy: 1.3993605824355775
Energy: 1.282135266353536
Energy: 1.2775156750164351
Energy: 1.2380944821824589
Energy: 1.2414331067471267
Energy: 1.2380944821824589
Energy: 1.4584505731095103
Energy: 1.2827519858063363
Energy: 1.2841600922605694
Energy: 1.2827519858063363
Energy: 1.4217846842146522
Energy: 1.1771127302392996
Energy: 1.7189933416762382
Energy: 1.1771127302392996
Energy: 1.4216939260894377
Energy: 1.1766935274663275
Energy: 1.2793239440402548
Energy: 1.1766935274663275
Energy: 1.514230862513034
Energy: 1.237965837793683
Energy: 1.2411602168839517
Energy: 1.237965837793683
Energy: 1.2786244445071573
Energy: 1.1768003262957987
Energy: 1.2383973500500605
Energy: 1.1768003262957987
Energy: 1.3941532134360801
Energy: 1.2381196300488888
Energy: 1.623156639774044
Energy: 1.2381196300488888
Energy: 1.3862013651378786
Energy: 1.1767429511481835
Energy: 1.1766792571761173
Energy: 1.1767429511481835
Energy: 1.5626507244021708
Energy: 1.3005213566292801
Energy: 1.562640187391722
Energy: 1.3005213566292801
Energy: 1.1766853874842869
Energy: 1.1767493435224328
Energy: 1.3862013651391731
Energy: 1.1767493435224328

minimum gb energy = 1.1764608400181444 eV
minimum distance =  2.26442137418541 Angstroms
sigma value = 29


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

Energy: 1.057233252288491
Energy: 1.1710141435681987
Energy: 1.5328714103992462
Energy: 1.1710141435681987
Energy: 1.4865064215925385
Energy: 1.1556234628841833
Energy: 1.1690506256405504
Energy: 1.1556234628841833
Energy: 1.4838728781306791
Energy: 1.1402905335950033
Energy: 1.1410409829255126
Energy: 1.1402905335950033
Energy: 1.5880521276058965
Energy: 1.1716728173640245
Energy: 1.1406520002434863
Energy: 1.1716728173640245
Energy: 1.6315117177577796
Energy: 1.1405068595749945
Energy: 1.1405540152854334
Energy: 1.1405068595754204
Energy: 1.4823256653920425
Energy: 1.1411822297836425
Energy: 1.140430746338344
Energy: 1.1411822297836425
Energy: 1.2543372280276486
Energy: 1.1403349583028706
Energy: 1.7580716530044846
Energy: 1.1403349583028706
Energy: 1.0557850632140955
Energy: 1.1412193961813424
Energy: 1.7535673599582224
Energy: 1.1412193961813424
Energy: 1.5387450200996444
Energy: 1.170130469458858
Energy: 1.1704697045514756
Energy: 1.1701304694584067

minimum gb energy = 1.0557850632140955 eV
minimum distance =  2.33186686230615 Angstroms
sigma value = 5


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

Energy: 1.2715489643636253
Energy: 1.1636218331514734
Energy: 1.6844573483587877
Energy: 1.1636218331514734
Energy: 1.4640544103107362
Energy: 1.1636950295365454
Energy: 1.2561826194148826
Energy: 1.1636950295365454
Energy: 1.2719514825870901
Energy: 1.2833648901861059
Energy: 1.2046104964921875
Energy: 1.2833648901861059
Energy: 1.2717150341292391
Energy: 1.2320226177080627
Energy: 1.3047799861542781
Energy: 1.232022617709286
Energy: 1.1875331672713698
Energy: 1.2808086086063217
Energy: 1.1951143603691436
Energy: 1.2808086086063217
Energy: 1.3870556117471373
Energy: 1.3114213738646894
Energy: 1.1927858322292961
Energy: 1.3114213738634666
Energy: 1.2615403905312736
Energy: 1.260561332891932
Energy: 1.3911516392798824
Energy: 1.260561332891932
Energy: 1.2639923300806086
Energy: 1.2574059161909057
Energy: 1.5172083471449027
Energy: 1.2574059161909057
Energy: 1.6080507750656956
Energy: 1.21667803090349
Energy: 1.2465999487403656
Energy: 1.21667803090349
Energy: 1.469824655868129
Energy: 1.217724255142728
Energy: 1.2494058787482096
Energy: 1.217724255142728
Energy: 1.208789070302478
Energy: 1.2755293190649875
Energy: 1.2811493553028934
Energy: 1.2755293190649875
Energy: 1.2102427739512647
Energy: 1.2749152582506396
Energy: 1.2241599057786765
Energy: 1.2749152582506396
Energy: 1.3931359165378496
Energy: 1.2851169887634104
Energy: 1.2221011614825208
Energy: 1.2851169887634104
Energy: 1.1722311957120115
Energy: 1.2778712785378108
Energy: 1.2303219197051685
Energy: 1.2778712785378108
Energy: 1.2068970258438605
Energy: 1.4048139107193025
Energy: 1.365951599480101
Energy: 1.4048139107193025
Energy: 1.587175469965813
Energy: 1.1729658271685741
Energy: 1.2457726405386043
Energy: 1.1729658271697971
Energy: 1.3581545666686352
Energy: 1.1836137108397284
Energy: 1.3685726494831736
Energy: 1.1836137108397284
Energy: 1.2279188506216558
Energy: 1.254035740685567
Energy: 1.5196167927007356
Energy: 1.254035740685567
Energy: 1.272157064350778
Energy: 1.1959688212747555
Energy: 1.2760831450068042
Energy: 1.1959688212747555
Energy: 1.2292545349732098
Energy: 1.2816900209179019
Energy: 1.199077374555337
Energy: 1.2816900209179019
Energy: 1.2299821650882925
Energy: 1.2700912699521811
Energy: 1.2479439024132812
Energy: 1.2700912699521811
Energy: 1.3430526257997528
Energy: 1.2780663219141806
Energy: 1.1853619419026786
Energy: 1.2780663219141806
Energy: 1.2719447480374635
Energy: 1.2764477375115606
Energy: 1.1879844752809254
Energy: 1.2764477375115606
Energy: 1.3732886050687325
Energy: 1.2072050183293577
Energy: 1.5919449298044117
Energy: 1.2072050183293577
Energy: 1.369754722233161
Energy: 1.208221863329503
Energy: 1.671685998796158
Energy: 1.208221863329503
Energy: 1.3614677725165953
Energy: 1.2777249701550604
Energy: 1.1852050644949772
Energy: 1.2777249701550604
Energy: 1.3070135176936248
Energy: 1.2764488021667308
Energy: 1.1877208328896602
Energy: 1.2764488021667308
Energy: 1.2757683812835807
Energy: 1.2303726034767886
Energy: 1.4825527505916947
Energy: 1.2303726034755655
Energy: 1.2306160113950915
Energy: 1.2754602253525318
Energy: 1.1971522434301025
Energy: 1.2754602253525318
Energy: 1.3867691731489575
Energy: 1.3906802264479663
Energy: 1.2543085362301754
Energy: 1.3906802264479663
Energy: 1.215907601622003
Energy: 1.2542852553717327
Energy: 1.3994924642580235
Energy: 1.2542852553717327
Energy: 1.2716298830802089
Energy: 1.17877699743105
Energy: 1.4856838063787685
Energy: 1.17877699743105
Energy: 1.703472290299271
Energy: 1.1731981296397693
Energy: 1.245186741691763
Energy: 1.1731981296397693

minimum gb energy = 1.1636218331514734 eV
minimum distance =  2.26624824234435 Angstroms
sigma value = 1


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

Energy: 1.256282650381842
Energy: 1.2274886571656283
Energy: 1.6557006710176827
Energy: 1.2274886571656283
Energy: 1.2433800171903027
Energy: 1.2230216507691465
Energy: 1.2812007989932306
Energy: 1.2230216507691465
Energy: 1.3629246460206403
Energy: 1.2775502830134213
Energy: 1.3439519537943208
Energy: 1.2775502830134213
Energy: 1.2810377720788078
Energy: 1.2679546861915822
Energy: 1.2995102078799865
Energy: 1.2679546861915822
Energy: 1.1864779668780399
Energy: 1.2060510142983196
Energy: 1.1867744449548434
Energy: 1.2060510142983196
Energy: 1.1847130328973339
Energy: 1.1857091201082457
Energy: 1.1848591832136088
Energy: 1.1857091201082457
Energy: 1.2896943433181312
Energy: 1.2664503889802803
Energy: 1.4281318019288725
Energy: 1.2664503889802803
Energy: 1.2898016173253275
Energy: 1.265775794769507
Energy: 1.458483375052708
Energy: 1.265775794769507
Energy: 1.4008787597076082
Energy: 1.2062813633543532
Energy: 1.1176109107540084
Energy: 1.2062813633543532
Energy: 1.4008787597076082
Energy: 1.2063528631278022
Energy: 1.1183661421468822
Energy: 1.2063528631278022
Energy: 1.2898939360580137
Energy: 1.266230321529872
Energy: 1.458483375052708
Energy: 1.266230321529872
Energy: 1.2896499339784622
Energy: 1.2656717170818812
Energy: 1.4281318019305635
Energy: 1.2656717170818812
Energy: 1.1848228959762586
Energy: 1.1855036062764335
Energy: 1.1854288932912225
Energy: 1.1855036062764335
Energy: 1.1862631460832327
Energy: 1.2052303219809941
Energy: 1.186657495761588
Energy: 1.2052303219809941
Energy: 1.2068039817300853
Energy: 1.267031958808379
Energy: 1.291227120315447
Energy: 1.267031958808379
Energy: 1.3629246460206403
Energy: 1.2695929150385827
Energy: 1.343518266974114
Energy: 1.2695929150385827
Energy: 1.2304065136912656
Energy: 1.1493609423287616
Energy: 1.2367419040315368
Energy: 1.1493609423287616
Energy: 1.256282650380151
Energy: 1.2274886571656283
Energy: 1.65570067121376
Energy: 1.2274886571656283
Energy: 1.2433800171886116
Energy: 1.2230216507674556
Energy: 1.2812007989932306
Energy: 1.2230216507674556
Energy: 1.3629246460189492
Energy: 1.2775502830134213
Energy: 1.3439519537943208
Energy: 1.2775502830134213
Energy: 1.2810377720788078
Energy: 1.2679546861915822
Energy: 1.2995102078799865
Energy: 1.2679546861915822
Energy: 1.1864779668780399
Energy: 1.2060510142983196
Energy: 1.1867744449548434
Energy: 1.2060510142983196
Energy: 1.1847130328973339
Energy: 1.1857091201082457
Energy: 1.1848591832136088
Energy: 1.1857091201082457
Energy: 1.2896943433181312
Energy: 1.2664503889802803
Energy: 1.4281318019288725
Energy: 1.2664503889802803

minimum gb energy = 1.1176109107540084 eV
minimum distance =  2.22695397047784 Angstroms
sigma value = 17


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

Energy: 1.3358738352234276
Energy: 1.2245276779203422
Energy: 1.8271114111593165
Energy: 1.2245276779203422
Energy: 1.3330952810138086
Energy: 1.1615634176270204
Energy: 1.2867515882108345
Energy: 1.1615634176270204
Energy: 1.2510814261172523
Energy: 1.2550082830944702
Energy: 1.1703958293834242
Energy: 1.2550082830944702
Energy: 1.256956878815409
Energy: 1.201847311599049
Energy: 1.2961945831865733
Energy: 1.201847311599049
Energy: 1.2196603239255075
Energy: 1.2473646253998343
Energy: 1.2018234188742123
Energy: 1.2473646253998343
Energy: 1.271650834494574
Energy: 1.267477742264316
Energy: 1.2017667311875686
Energy: 1.2674777422653611
Energy: 1.1628272905896404
Energy: 1.2621196763372944
Energy: 1.2153756764438453
Energy: 1.2621196763362492
Energy: 1.1611583050600598
Energy: 1.2622163049731743
Energy: 1.2363630813153759
Energy: 1.2622163049731743
Energy: 1.4286528089564134
Energy: 1.2201376351785114
Energy: 1.3008766056977674
Energy: 1.2201376351785114
Energy: 1.4701422253967311
Energy: 1.2194640503950984
Energy: 1.3082542817264124
Energy: 1.2194640503950984
Energy: 1.210213631126312
Energy: 1.2259289711691297
Energy: 1.3291063659810993
Energy: 1.2259289711691297
Energy: 1.207946464621311
Energy: 1.225784248804892
Energy: 1.2778053553767008
Energy: 1.225784248803847
Energy: 1.3128775380646094
Energy: 1.2672178275452952
Energy: 1.1824021642796856
Energy: 1.2672178275452952
Energy: 1.2053942713897077
Energy: 1.24769838893222
Energy: 1.1815207005346904
Energy: 1.24769838893222
Energy: 1.2018216604988528
Energy: 1.2907624281080992
Energy: 1.1809081775472956
Energy: 1.2907624281080992
Energy: 1.204419113693091
Energy: 1.262050913672548
Energy: 1.2002248955315151
Energy: 1.262050913672548
Energy: 1.297459154859357
Energy: 1.1751865054903927
Energy: 1.2655719516407984
Energy: 1.1751865054903927
Energy: 1.2040204370146637
Energy: 1.2498217973364503
Energy: 1.4747982152485113
Energy: 1.2498217973364503
Energy: 1.2493072829116765
Energy: 1.1963945470120116
Energy: 1.3173259178147734
Energy: 1.1963945470120116
Energy: 1.6022577632130244
Energy: 1.2227703679700983
Energy: 1.2009279382332934
Energy: 1.2227703679690534
Energy: 1.2846982873986623
Energy: 1.3777597188287969
Energy: 1.3771752359089888
Energy: 1.3777597188287969
Energy: 1.2246074342395235
Energy: 1.2475561632938938
Energy: 1.2245569682561483
Energy: 1.2475561632938938
Energy: 1.2661322460305555
Energy: 1.4033271397614215
Energy: 1.2540250296614923
Energy: 1.4033271397614215
Energy: 1.1741631832388844
Energy: 1.2621141144555121
Energy: 1.1815215485359865
Energy: 1.2621141144565573
Energy: 1.1747157081371558
Energy: 1.2946965715762289
Energy: 1.355630575388887
Energy: 1.2946965715762289
Energy: 1.2516912211488778
Energy: 1.248007343191443
Energy: 1.154730658371509
Energy: 1.248007343191443
Energy: 1.3345534407225674
Energy: 1.248046888394538
Energy: 1.217214830898087
Energy: 1.2480468883934928
Energy: 1.294969944866009
Energy: 1.1892351685742453
Energy: 1.6451718779043853
Energy: 1.1892351685742453
Energy: 1.3001547233058663
Energy: 1.1885934696980018
Energy: 1.4904504973580992
Energy: 1.1885934696980018
Energy: 1.2512847781705176
Energy: 1.2479211353003676
Energy: 1.154498589280726
Energy: 1.2479211353003676
Energy: 1.2533804362274277
Energy: 1.2480002033927668
Energy: 1.2175440278276566
Energy: 1.2480002033927668
Energy: 1.1739844571524323
Energy: 1.2896886930348994
Energy: 1.2012429377729854
Energy: 1.2896886930348994
Energy: 1.175107305417829
Energy: 1.2624859186684603
Energy: 1.1757229213794351
Energy: 1.262485918667415
Energy: 1.2417554506311876
Energy: 1.2650425106209762
Energy: 1.2234259642363314
Energy: 1.2650425106209762
Energy: 1.160927488769028
Energy: 1.2483535474464782
Energy: 1.2449829585153147
Energy: 1.248353547445433
Energy: 1.2774371644024591
Energy: 1.1578500719365536
Energy: 1.28702066789904
Energy: 1.1578500719375986
Energy: 1.6535347665223477
Energy: 1.2181432713153966
Energy: 1.200948382506832
Energy: 1.2181432713153966
Energy: 1.2991011854574002
Energy: 1.195993434620776
Energy: 1.3355131653307297
Energy: 1.195993434621821

minimum gb energy = 1.154498589280726 eV
minimum distance =  2.26239086366701 Angstroms
sigma value = 89


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

Energy: 1.2477345319112296
Energy: 1.1647988546078758
Energy: 1.554030556504548
Energy: 1.1647988546078758
Energy: 1.1622726137876656
Energy: 1.2051922750752504
Energy: 1.2691758899387249
Energy: 1.2051922750749706
Energy: 1.3782070163735256
Energy: 1.1549669438024668
Energy: 1.0818085382397473
Energy: 1.1549669438024668
Energy: 1.1491948433609789
Energy: 1.2205553262087778
Energy: 1.270631364522525
Energy: 1.2205553262087778
Energy: 1.1681020224737984
Energy: 1.2195077047203233
Energy: 1.191008113253823
Energy: 1.2195077047203233
Energy: 1.1417627948170654
Energy: 1.399588588691335
Energy: 1.2492980746639624
Energy: 1.3995885886916148
Energy: 1.1446305237277739
Energy: 1.1550721126935906
Energy: 1.1910213989030183
Energy: 1.1550721126935906
Energy: 1.1424569727419724
Energy: 1.2200049767208696
Energy: 1.4949266856320613
Energy: 1.2200049767208696
Energy: 1.3783769394804732
Energy: 1.2194066131225656
Energy: 1.059497689184309
Energy: 1.2194066131225656
Energy: 1.2349061058894724
Energy: 1.2203155563316723
Energy: 1.0581610725222848
Energy: 1.2203155563313925
Energy: 1.1825963127290329
Energy: 1.1551932603811281
Energy: 1.4960290256723088
Energy: 1.1551932603811281
Energy: 1.1816974503363868
Energy: 1.1560442696085047
Energy: 1.4994375811622964
Energy: 1.1560442696082252
Energy: 1.3792568905683773
Energy: 1.2194551373216669
Energy: 1.0595560136651496
Energy: 1.2194551373216669
Energy: 1.382285763449289
Energy: 1.2206073692710573
Energy: 1.058045450027429
Energy: 1.2206073692710573
Energy: 1.1438262351812936
Energy: 1.2199667883034155
Energy: 1.2551661681892081
Energy: 1.219966788303695

minimum gb energy = 1.058045450027429 eV
minimum distance =  2.26065648539306 Angstroms
sigma value = 13


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

Energy: 1.143850387332515
Energy: 1.1404809783024195
Energy: 1.541065218482974
Energy: 1.1404809783024195
Energy: 1.2038789818372595
Energy: 1.1389627341818482
Energy: 1.0911130986353115
Energy: 1.1389627341818482
Energy: 1.2583680711493699
Energy: 1.1229096997858008
Energy: 1.1394357555924932
Energy: 1.1229096997858008
Energy: 1.1371431074201717
Energy: 1.1706850072833337
Energy: 1.167034914450858
Energy: 1.1706850072833337
Energy: 1.0775237573692455
Energy: 1.1546345877745199
Energy: 1.1642320306310152
Energy: 1.1546345877745199
Energy: 1.1842908646909716
Energy: 1.1543464995984933
Energy: 1.1417403589877262
Energy: 1.1543464995984933
Energy: 1.1107911296258426
Energy: 1.123490658581749
Energy: 1.1212723235752708
Energy: 1.123490658581749
Energy: 1.113167841088521
Energy: 1.1777780568499963
Energy: 1.108848924512309
Energy: 1.1777780568499963
Energy: 1.1579525015093437
Energy: 1.1546887714521115
Energy: 1.0669863431408961
Energy: 1.1546887714521115
Energy: 1.249205837071959
Energy: 1.1548943120900599
Energy: 1.1563145832301491
Energy: 1.154894312091206
Energy: 1.1094077560716227
Energy: 1.1232654465580898
Energy: 1.2512929213394843
Energy: 1.123265446559236
Energy: 1.1097440638634617
Energy: 1.1233051276582509
Energy: 1.2108008223264108
Energy: 1.1233051276582509
Energy: 1.2107657274551877
Energy: 1.1342191185732464
Energy: 1.1139235139814767
Energy: 1.1342191185721
Energy: 1.1869829631071536
Energy: 1.1367738208746667
Energy: 1.2352888988040014
Energy: 1.1367738208746667
Energy: 1.1094120191558097
Energy: 1.1234821778942765
Energy: 1.250606141891044
Energy: 1.1234821778942765
Energy: 1.1096270089210951
Energy: 1.123444898336452
Energy: 1.258879503678946
Energy: 1.123444898336452
Energy: 1.2114569468152185
Energy: 1.1547579485147197
Energy: 1.0669415902961017
Energy: 1.1547579485147197
Energy: 1.1642519695985198
Energy: 1.1554225005671763
Energy: 1.156678933287867
Energy: 1.1554225005671763
Energy: 1.1103344162592181
Energy: 1.1236067565436336
Energy: 1.1138138496604353
Energy: 1.1236067565436336
Energy: 1.1138064092298108
Energy: 1.1235755513865773
Energy: 1.1103351677022069
Energy: 1.1235755513865773
Energy: 1.1568555250386743
Energy: 1.155434759518629
Energy: 1.1644298286358712
Energy: 1.1554347595174828
Energy: 1.066887197515629
Energy: 1.1547512747202424
Energy: 1.2114569468129261
Energy: 1.1547512747202424
Energy: 1.2588795036777998
Energy: 1.1234419453433122
Energy: 1.1096206022695698
Energy: 1.1234419453433122
Energy: 1.2506061418887515
Energy: 1.1234580693661127
Energy: 1.1094207415333581
Energy: 1.1234580693649665
Energy: 1.2353084303203639
Energy: 1.136778702004564
Energy: 1.1870266326957934
Energy: 1.136778702004564
Energy: 1.1139059923212171
Energy: 1.134214550179427
Energy: 1.2107657274540413
Energy: 1.134214550179427
Energy: 1.2106843083413548
Energy: 1.1233113059453714
Energy: 1.1097366455276334
Energy: 1.1233113059453714
Energy: 1.2512929213383384
Energy: 1.1232550404743413
Energy: 1.1094108592695306
Energy: 1.1232550404743413
Energy: 1.1563085393130217
Energy: 1.1549007019032518
Energy: 1.2493121081485372
Energy: 1.1549007019043982
Energy: 1.0669831215727201
Energy: 1.1546766945765012
Energy: 1.1579501579004285
Energy: 1.1546766945765012
Energy: 1.1088495313427797
Energy: 1.178005849970227
Energy: 1.113175469494162
Energy: 1.1780058499690809
Energy: 1.1212794363378904
Energy: 1.1234835821882412
Energy: 1.1108100525393305
Energy: 1.1234835821882412
Energy: 1.141418634624201
Energy: 1.154343409249642
Energy: 1.1842110974557678
Energy: 1.1543434092507883
Energy: 1.164229664505655
Energy: 1.1546327737357964
Energy: 1.0775306969466982
Energy: 1.1546327737357964
Energy: 1.1670479360468367
Energy: 1.1710286676408432
Energy: 1.1374822212427473
Energy: 1.1710286676408432

minimum gb energy = 1.066887197515629 eV
minimum distance =  2.278447961992 Angstroms
sigma value = 37


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

Energy: 1.138930784861567
Energy: 1.0724704878602906
Energy: 1.4451650257684123
Energy: 1.0724704878602906
Energy: 1.1575865122851379
Energy: 1.0958458970690892
Energy: 1.0890947979838423
Energy: 1.0958458970692908
Energy: 1.258029259605484
Energy: 1.053293624897129
Energy: 1.0996294108785007
Energy: 1.053293624897129
Energy: 1.1530910184673695
Energy: 1.0888812629963651
Energy: 1.0895306232168644
Energy: 1.088881262996186
Energy: 1.0696229938545634
Energy: 1.0493917744084618
Energy: 1.2242943673030637
Energy: 1.04939177440826
Energy: 1.1415870370013839
Energy: 1.0969055512384547
Energy: 1.1043859426707268
Energy: 1.0969055512378723
Energy: 1.0962821464506398
Energy: 1.0536579300812305
Energy: 1.0796832562271899
Energy: 1.0536579300812305
Energy: 1.1367306703289453
Energy: 1.2070696056221728
Energy: 1.134775446852016
Energy: 1.2070696056221728
Energy: 1.1081392539685335
Energy: 1.0493587407549014
Energy: 1.0980969556706102
Energy: 1.0493587407549014
Energy: 1.1413701146796893
Energy: 1.0950115762747645
Energy: 1.0986821903580692
Energy: 1.0950115762747645
Energy: 1.0363166001717126
Energy: 1.0526609566045522
Energy: 1.2221437231043175
Energy: 1.0526609566045522
Energy: 1.0419738195076345
Energy: 1.097155643129939
Energy: 1.1661454715208308
Energy: 1.097155643129939
Energy: 1.25797387652946
Energy: 1.0498140112162053
Energy: 1.0844207576307314
Energy: 1.0498140112162053
Energy: 1.0530614680250705
Energy: 1.0518574904634066
Energy: 1.0840996825079
Energy: 1.051857490463205
Energy: 1.0772737414695983
Energy: 1.0688439407533925
Energy: 1.2218578160766782
Energy: 1.0688439407535941
Energy: 1.0758495804151695
Energy: 1.076484965952743
Energy: 1.1533632421496076
Energy: 1.076484965952743
Energy: 1.2579197021567556
Energy: 1.0499253213278297
Energy: 1.0846344148373075
Energy: 1.0499253213278297
Energy: 1.1104652379999782
Energy: 1.053126025421355
Energy: 1.0840147407615985
Energy: 1.053126025421355
Energy: 1.036395771117871
Energy: 1.0527899335006998
Energy: 1.221812914377273
Energy: 1.0527899335006998
Energy: 1.0357265114247334
Energy: 1.0995412003402183
Energy: 1.222086560759763
Energy: 1.0995412003402183

minimum gb energy = 1.0357265114247334 eV
minimum distance =  2.27511665321151 Angstroms
sigma value = 25


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

Energy: 1.0917920960637226
Energy: 0.9861650365113119
Energy: 1.3208775101614687
Energy: 0.9861650365113119
Energy: 1.0330462704539498
Energy: 1.0264686093007795
Energy: 1.038774511095499
Energy: 1.0264686093007795
Energy: 1.1207958461382597
Energy: 0.9685539414009817
Energy: 1.0658491020450054
Energy: 0.9685539414009817
Energy: 0.9966224598712868
Energy: 0.9792480211973044
Energy: 1.0535837159920174
Energy: 0.9792480211973044
Energy: 1.0236647511159844
Energy: 0.9597957892975542
Energy: 1.1009656957786222
Energy: 0.9597957892975542
Energy: 0.9965779566132944
Energy: 0.9781335410475267
Energy: 1.0323718733942235
Energy: 0.9781335410475267
Energy: 1.0326664751695396
Energy: 0.9587693552928525
Energy: 1.0268094201777782
Energy: 0.9587693552928525
Energy: 1.02958406530977
Energy: 0.9835824569549418
Energy: 1.0518000788208859
Energy: 0.9835824569549418
Energy: 1.01046798710272
Energy: 0.9596914296150328
Energy: 1.0338944606899438
Energy: 0.9596914296150328
Energy: 1.0469067405814168
Energy: 1.04144815763434
Energy: 1.0255692699389616
Energy: 1.04144815763434
Energy: 0.9994084896968701
Energy: 0.9588877316564389
Energy: 1.0450335855621693
Energy: 0.9588877316564389
Energy: 1.0136328105871415
Energy: 0.9839346833676785
Energy: 1.0521601913319722
Energy: 0.9839346833676785
Energy: 1.036149970676417
Energy: 0.9596747950556039
Energy: 0.9941324565672097
Energy: 0.9596747950556039
Energy: 1.0864375608880783
Energy: 0.9831734590338487
Energy: 0.9730987578094646
Energy: 0.9831734590338487
Energy: 0.9917825333144875
Energy: 0.9578188370885778
Energy: 1.1038200731556516
Energy: 0.9578188370885778
Energy: 0.9990564303935248
Energy: 0.9586965920871668
Energy: 1.0384756716236025
Energy: 0.9586965920871668
Energy: 1.1168924065830803
Energy: 0.966453541795314
Energy: 1.0122099327656648
Energy: 0.966453541795314
Energy: 1.0024851469043583
Energy: 0.9986938494145376
Energy: 0.9863497312702703
Energy: 0.9986938494145376
Energy: 1.0379732131277015
Energy: 0.9838211321639316
Energy: 1.1012375626092896
Energy: 0.9838211321639316
Energy: 1.0329486400150847
Energy: 0.9851144129491408
Energy: 1.0386963004669973
Energy: 0.9851144129491408
Energy: 1.1166005842620885
Energy: 0.9665741185586032
Energy: 1.0123286790497028
Energy: 0.9665741185586032
Energy: 1.050169283049461
Energy: 0.9790738443140459
Energy: 0.9885908940294819
Energy: 0.9790738443140459
Energy: 0.9916357069289774
Energy: 0.9579027125903802
Energy: 1.1011404598126489
Energy: 0.9579027125903802
Energy: 1.0205136789423406
Energy: 0.9584791706186359
Energy: 1.033298643083263
Energy: 0.9584791706186359
Energy: 1.032855260543793
Energy: 0.9589380802634506
Energy: 0.9941413042297035
Energy: 0.9589380802634506
Energy: 1.0952482225500855
Energy: 0.9828677953296874
Energy: 0.9731414064597048
Energy: 0.9828677953296874

minimum gb energy = 0.9578188370885778 eV
minimum distance =  2.28292235436427 Angstroms
sigma value = 41


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

Energy: 1.0579710679815404
Energy: 0.919000176931668
Energy: 1.195229043910608
Energy: 0.919000176931668
Energy: 0.9873391012596295
Energy: 0.9469621614787946
Energy: 0.9495774437283546
Energy: 0.9469621614787946
Energy: 1.0193442268892363
Energy: 0.8971924423486568
Energy: 1.0163408876720088
Energy: 0.8971924423486568
Energy: 0.9546660188189461
Energy: 0.9331287828342744
Energy: 0.9494983873127516
Energy: 0.9331287828342744
Energy: 1.0037444363767862
Energy: 0.8854105754726115
Energy: 1.0061941301179478
Energy: 0.8854105754726115
Energy: 0.9543655630804252
Energy: 0.9054845269581182
Energy: 0.9307315894382686
Energy: 0.9054845269581182
Energy: 1.011179067902887
Energy: 0.8814382826037341
Energy: 0.9747224595121959
Energy: 0.8814382826037341
Energy: 0.9528674692453084
Energy: 0.9105194031840832
Energy: 0.9304528961296938
Energy: 0.9105194031840832
Energy: 0.9787258136275784
Energy: 0.880937612899207
Energy: 0.9718792572793733
Energy: 0.8809376129004695
Energy: 0.9820077209427788
Energy: 0.9445166879807277
Energy: 0.9509125704742801
Energy: 0.9445166879807277
Energy: 0.9761750390836088
Energy: 0.881278214810124
Energy: 0.9635278561687434
Energy: 0.881278214810124
Energy: 0.965246535931832
Energy: 0.928816863307799
Energy: 0.9804056965106973
Energy: 0.928816863307799
Energy: 0.9848991259561616
Energy: 0.881036689673503
Energy: 0.954694484190924
Energy: 0.881036689673503
Energy: 0.9854743593393432
Energy: 0.8964742158080247
Energy: 0.9436438435853561
Energy: 0.8964742158080247
Energy: 0.9469456379694727
Energy: 0.8811360125254223
Energy: 0.9761833999792129
Energy: 0.8811360125254223
Energy: 0.9183469986622511
Energy: 0.8958589742566778
Energy: 1.0001281588803816
Energy: 0.8958589742566778
Energy: 1.015695445665848
Energy: 0.8809448384522736
Energy: 0.9436442308371118
Energy: 0.8809448384510113
Energy: 0.9512002961807079
Energy: 0.8811094180120551
Energy: 0.9327318539452583
Energy: 0.8811094180120551
Energy: 0.8885259365155281
Energy: 0.8850621562523033
Energy: 1.0078974392870645
Energy: 0.8850621562523033
Energy: 0.9247726365832715
Energy: 0.9177225467166998
Energy: 0.996398798029414
Energy: 0.9177225467166998
Energy: 1.0172768015195253
Energy: 0.8963420336621518
Energy: 0.896534783568162
Energy: 0.8963420336621518
Energy: 0.9909722784423107
Energy: 0.9197119451160755
Energy: 0.9467009059020383
Energy: 0.9197119451160755
Energy: 0.9929912333761265
Energy: 0.9180606906888608
Energy: 1.0094840160406702
Energy: 0.9180606906888608
Energy: 0.9603630594736212
Energy: 0.9213020915894921
Energy: 0.9965453075088085
Energy: 0.9213020915894921
Energy: 1.01657344255709
Energy: 0.8964640664187482
Energy: 0.8968352940790729
Energy: 0.8964640664187482
Energy: 0.9514226135573193
Energy: 0.898393815954596
Energy: 0.9466128254088855
Energy: 0.898393815954596
Energy: 0.8883605118507082
Energy: 0.8852383359600232
Energy: 1.009226436934756
Energy: 0.8852383359600232
Energy: 0.9295069165872013
Energy: 0.8952253103622126
Energy: 0.9745163517275992
Energy: 0.8952253103622126
Energy: 1.0103941816420023
Energy: 0.8810748573012395
Energy: 0.9434983259904187
Energy: 0.8810748573012395
Energy: 0.9533579227774324
Energy: 0.8810610052918991
Energy: 0.9337694141070257
Energy: 0.8810610052918991
Energy: 0.9468803922918241
Energy: 0.8814614366675926
Energy: 0.9710810363126642
Energy: 0.8814614366675926
Energy: 0.9290987218221219
Energy: 0.8956469583272448
Energy: 0.9773127547153085
Energy: 0.8956469583272448

minimum gb energy = 0.880937612899207 eV
minimum distance =  2.29012160702585 Angstroms
sigma value = 15


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

Energy: 1.0056361066977497
Energy: 0.8570293582682027
Energy: 1.0984036873758007
Energy: 0.8570293582682027
Energy: 0.9135870014807816
Energy: 0.8838012532997991
Energy: 0.9060901949944359
Energy: 0.8838012533008685
Energy: 0.943546593660727
Energy: 0.844579608029967
Energy: 0.9764966740553528
Energy: 0.844579608029967
Energy: 0.8902094096656921
Energy: 0.8548225311582257
Energy: 0.9058954776363116
Energy: 0.8548225311560869
Energy: 0.9584602036544491
Energy: 0.8311385467106646
Energy: 0.9332300971395522
Energy: 0.8311385467106646
Energy: 0.8900620169775801
Energy: 0.8602404689787857
Energy: 0.8939263332498322
Energy: 0.8602404689787857
Energy: 0.9387445382496925
Energy: 0.8193566647802254
Energy: 0.9388903837901256
Energy: 0.8193566647802254
Energy: 0.8799874116129098
Energy: 0.8353518498978993
Energy: 0.8938344389325967
Energy: 0.8353518498978993
Energy: 0.9312167342140907
Energy: 0.8173158706196192
Energy: 0.9136781787694598
Energy: 0.8173158706196192
Energy: 0.8796855854750714
Energy: 0.8362931132570711
Energy: 0.8952801990746051
Energy: 0.8362931132560016
Energy: 0.9169014607464411
Energy: 0.8172745531535317
Energy: 0.9149678419967981
Energy: 0.8172745531535317
Energy: 0.8936026948015491
Energy: 0.8580516556478528
Energy: 0.9259567710239014
Energy: 0.8580516556467833
Energy: 0.91774774564719
Energy: 0.8174660767545281
Energy: 0.9030120607488491
Energy: 0.8174660767545281
Energy: 0.9240535496445288
Energy: 0.8480373798161096
Energy: 0.8993322022725418
Energy: 0.8480373798150401
Energy: 0.9013504362919802
Energy: 0.8174282424536161
Energy: 0.9070862609521616
Energy: 0.8174282424536161
Energy: 0.8934160989654262
Energy: 0.8484081249830738
Energy: 0.894655098481119
Energy: 0.8484081249820042
Energy: 0.9208967528814795
Energy: 0.8176095395800652
Energy: 0.8988466110920044
Energy: 0.8176095395789958
Energy: 0.93734784787409
Energy: 0.8274278814475333
Energy: 0.873627687616204
Energy: 0.8274278814475333
Energy: 0.90009729260278
Energy: 0.8175623085565576
Energy: 0.9178729804099186
Energy: 0.8175623085554881
Energy: 0.8825799421925783
Energy: 0.8372431165246376
Energy: 0.8904004816085823
Energy: 0.8372431165246376
Energy: 0.9429016135250847
Energy: 0.8197708320547032
Energy: 0.8380287457840475
Energy: 0.8197708320547032
Energy: 0.9144343777747743
Energy: 0.8514119510585841
Energy: 0.8794180961328293
Energy: 0.8514119510585841
Energy: 0.8439980840731794
Energy: 0.8284815803597247
Energy: 0.9348248688006988
Energy: 0.8284815803597247
Energy: 0.8932773060203386
Energy: 0.873239763681578
Energy: 0.9104172704964001
Energy: 0.873239763681578
Energy: 0.9418507188897765
Energy: 0.8412751723208776
Energy: 0.8583131776790602
Energy: 0.8412751723208776
Energy: 0.9160138367510955
Energy: 0.8745726814011601
Energy: 0.900385817773436
Energy: 0.8745726814011601
Energy: 0.8767590275317587
Energy: 0.856048809849757
Energy: 0.9357920761767752
Energy: 0.8560488098486874
Energy: 0.9136284783902388
Energy: 0.8722166373906314
Energy: 0.9104861841783985
Energy: 0.8722166373906314
Energy: 0.9467939896676446
Energy: 0.8414184658137641
Energy: 0.8588040318978384
Energy: 0.8414184658137641
Energy: 0.9141268869884759
Energy: 0.8457694580656145
Energy: 0.900216393640175
Energy: 0.8457694580656145
Energy: 0.8442743093111008
Energy: 0.8284932239681257
Energy: 0.935881929326503
Energy: 0.8284932239681257
Energy: 0.8930229485103353
Energy: 0.8446705404477763
Energy: 0.8907763798586777
Energy: 0.8446705404477763
Energy: 0.9388897414359919
Energy: 0.8198390325741475
Energy: 0.8379570416409234
Energy: 0.8198390325741475
Energy: 0.9062130116033491
Energy: 0.8265535799030143
Energy: 0.8795644918337718
Energy: 0.8265535799030143
Energy: 0.9002515931406013
Energy: 0.8174357924896976
Energy: 0.9253519308716474
Energy: 0.8174357924896976
Energy: 0.8828980567833166
Energy: 0.8363984612132893
Energy: 0.8954527827452748
Energy: 0.8363984612132893
Energy: 0.9132364396319195
Energy: 0.8175418155980487
Energy: 0.898577452154107
Energy: 0.8175418155991183

minimum gb energy = 0.8172745531535317 eV
minimum distance =  2.2965493914792 Angstroms
sigma value = 85


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

Energy: 0.9283975902061774
Energy: 0.8013625437141001
Energy: 1.0013057276673458
Energy: 0.8013625437141001
Energy: 0.8259309200002807
Energy: 0.7803514071902363
Energy: 0.8246660906813217
Energy: 0.7803514071902363
Energy: 0.863474914443156
Energy: 0.7974965605175192
Energy: 0.9560953758735514
Energy: 0.7974965605175192
Energy: 0.813464583676807
Energy: 0.7755851018898001
Energy: 0.8247273980478478
Energy: 0.7755851018898001
Energy: 0.9345736832278723
Energy: 0.7619382319295808
Energy: 0.8604572672572037
Energy: 0.7619382319295808
Energy: 0.8132941154510894
Energy: 0.694047777456158
Energy: 0.8124064156743035
Energy: 0.694047777456158
Energy: 0.8683739632700418
Energy: 0.7608896945684952
Energy: 0.9077113309961623
Energy: 0.7608896945684952
Energy: 0.8185152257929886
Energy: 0.7455014183035045
Energy: 0.8123790966774609
Energy: 0.7455014183035045
Energy: 0.8839934130708493
Energy: 0.7431611141991498
Energy: 0.8757341330950417
Energy: 0.7431611141991498
Energy: 0.8185077646550442
Energy: 0.7511694589856936
Energy: 0.816667902882191
Energy: 0.7511694589856936
Energy: 0.8340280582776061
Energy: 0.7432555896790842
Energy: 0.8724190403136742
Energy: 0.7432555896790842
Energy: 0.837937346290691
Energy: 0.7573266350135822
Energy: 0.8165344045426662
Energy: 0.7573266350135822
Energy: 0.8468603130381516
Energy: 0.7420868502859451
Energy: 0.8447760704585441
Energy: 0.7420868502859451
Energy: 0.838002630996958
Energy: 0.7896220567152452
Energy: 0.8363589318791532
Energy: 0.7896220567152452
Energy: 0.8221014027977278
Energy: 0.7419220937470085
Energy: 0.8522511071205939
Energy: 0.7419220937470085
Energy: 0.8342764910620869
Energy: 0.7867030160417962
Energy: 0.8369910429070101
Energy: 0.7867030160417962
Energy: 0.8284851615254972
Energy: 0.7420280817761084
Energy: 0.8370393130488429
Energy: 0.7420280817761084
Energy: 0.8375524334935244
Energy: 0.7867690827410818
Energy: 0.8363289174410299
Energy: 0.7867690827410818
Energy: 0.8307599429458435
Energy: 0.7419746489253065
Energy: 0.852718980610904
Energy: 0.7419746489253065
Energy: 0.8170730297343949
Energy: 0.7551616809319515
Energy: 0.8402435851543681
Energy: 0.7551616809319515
Energy: 0.8348081495344348
Energy: 0.741733520132353
Energy: 0.8355112017577422
Energy: 0.741733520132353
Energy: 0.8181323400082335
Energy: 0.7576074200108979
Energy: 0.816401801687033
Energy: 0.7576074200108979
Energy: 0.8429548425106205
Energy: 0.741749911393429
Energy: 0.873566350853174
Energy: 0.741749911393429
Energy: 0.8107020557576778
Energy: 0.7785555101585364
Energy: 0.8188409090241172
Energy: 0.7785555101585364
Energy: 0.8684385636988248
Energy: 0.7607114096929573
Energy: 0.7796604663944584
Energy: 0.7607114096929573
Energy: 0.81345829261991
Energy: 0.7771558677992215
Energy: 0.8125273711470069
Energy: 0.7771558677982939
Energy: 0.7976276642474082
Energy: 0.7615766030432245
Energy: 0.8614247560879404
Energy: 0.7615766030441522
Energy: 0.8223168934603575
Energy: 0.7791563329433119
Energy: 0.8132025155733916
Energy: 0.7791563329433119
Energy: 0.8620802128773798
Energy: 0.7970379782200103
Energy: 0.8034788795503548
Energy: 0.7970379782200103
Energy: 0.8260793665943039
Energy: 0.7807991996573894
Energy: 0.8248949208248484
Energy: 0.7807991996573894
Energy: 0.8367434264083131
Energy: 0.8008741443323842
Energy: 0.8628951175238457
Energy: 0.8008741443323842
Energy: 0.8516588545282776
Energy: 0.7857552832480866
Energy: 0.8135699964189167
Energy: 0.7857552832480866
Energy: 0.861439063574936
Energy: 0.7970714984436068
Energy: 0.8022002709806088
Energy: 0.7970714984436068
Energy: 0.8135108852678341
Energy: 0.7499839061724555
Energy: 0.8250347621367495
Energy: 0.7499839061724555
Energy: 0.7975396429434731
Energy: 0.7616164493122981
Energy: 0.862429497126086
Energy: 0.7616164493122981
Energy: 0.822248942376031
Energy: 0.7451354476190354
Energy: 0.8189733766278265
Energy: 0.7451354476190354
Energy: 0.8689389172649974
Energy: 0.76074884945064
Energy: 0.7794654008198624
Energy: 0.76074884945064
Energy: 0.8182056502343394
Energy: 0.7449021695563832
Energy: 0.812335307374861
Energy: 0.7449021695563832
Energy: 0.8430272590412909
Energy: 0.741802107043446
Energy: 0.8731662252323379
Energy: 0.741802107043446
Energy: 0.8108252336311953
Energy: 0.7422523968845036
Energy: 0.840159725913613
Energy: 0.7422523968845036
Energy: 0.8340507375999708
Energy: 0.7418705400809217
Energy: 0.8354103152937848
Energy: 0.7418705400809217
Energy: 0.8380977006664988
Energy: 0.7585283293407665
Energy: 0.8167225500407276
Energy: 0.758528329339839
Energy: 0.8307431740039263
Energy: 0.7400511605068698
Energy: 0.8469019361842823
Energy: 0.7400511605068698

minimum gb energy = 0.694047777456158 eV
minimum distance =  2.30144587189834 Angstroms
sigma value = 113


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

Energy: 0.015083199498700926
Energy: 0.015488703369391822
Energy: 1.6762718011303335
Energy: 0.015488703369391822
Energy: 0.015861492690622776
Energy: 0.7831429300518218
Energy: 0.01586149267667854
Energy: 0.7831429300518218
Energy: 1.508156739495932
Energy: 0.015488703369391822
Energy: 0.015083199498700926
Energy: 0.015488703370104879
Energy: 0.015861492683650658
Energy: 0.7831429300518218
Energy: 0.0158614926746186
Energy: 0.7831429300518218
Energy: 0.015083199498700926
Energy: 0.015488703369391822
Energy: 1.6762718011310462
Energy: 0.015488703370104879
Energy: 0.015861492689236277
Energy: 0.7831429300518218
Energy: 0.015861492678778098
Energy: 0.7831429300518218

minimum gb energy = 0.015083199498700926 eV
minimum distance =  2.44288442124938 Angstroms
sigma value = 1