Model name: model_name=EAM_Dynamo_Marinica_2011_Fe__MO_255315407910_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.311687663197519
cohesive_energy=3.8792944251854573
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=[1.7961361373120397e-19, 3.02893094834334e-19, 3.8094793608954595e-19, 4.409846989187939e-19, 4.941433174582799e-19, 5.401658412699299e-19, 5.763942593179379e-19, 6.02701999648218e-19, 6.201577140756479e-19, 6.31078150012992e-19, 6.37339456298664e-19, 6.40327515721074e-19, 6.40880266659804e-19, 6.39382231507014e-19, 6.36075338934438e-19, 6.31640514011526e-19, 6.269445342972719e-19, 6.2283014470116e-19, 6.19925398463718e-19, 6.18630839743446e-19, 6.188214987628919e-19, 6.198837418712339e-19, 6.209924481019619e-19, 6.214827141519659e-19, 6.20766541196568e-19, 6.180508518019379e-19, 6.12289424626074e-19, 6.02367144731712e-19, 5.870967992330579e-19, 5.650572574557539e-19, 5.34555018697662e-19, 4.93556920810236e-19, 4.3991764928055e-19, 3.7171619432443796e-19, 2.8688414590740594e-19, 1.8347325724250998e-19, 5.89998341117232e-20, -9.0478919963565e-20, -2.70400952696814e-19, -5.16344679075618e-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: 0.017826729215183572
Energy: -12.816507703492533
Energy: 0.6699133743671584
Energy: -14.366194972365173
Energy: -12.816479846416405
Energy: -0.09046984691291882
Energy: -14.446365929677471
Energy: -0.09046984720439287
Energy: 0.6796714227026245
Energy: -14.372119458868921
Energy: 0.017826729215183572
Energy: -13.98667971118534
Energy: -14.321558434477037
Energy: -0.09046984689614453
Energy: -13.965527436341379
Energy: -0.09046984704150787

minimum gb energy = -14.446365929677471 eV
minimum distance =  2.33664790473061 Angstroms
sigma value = 1


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

Energy: -19.624847403917283
Energy: -0.16758649834868583
Energy: 0.09726550634030595
Energy: 0.01201557054580016
Energy: -0.10012626027298743
Energy: -0.2705949224467373
Energy: -0.11543329793994696
Energy: -0.27059492393347656
Energy: 0.08015047178073925
Energy: -0.00995047747195103
Energy: -0.2623614641286901
Energy: -0.00995047747467022
Energy: -0.14249713756018306
Energy: -0.16661333048471835
Energy: -0.11438423179624867
Energy: -0.1666133305562826
Energy: -0.20999084946910032
Energy: -0.06601070426623425
Energy: -0.08967928911225949
Energy: -0.06601070427711102
Energy: -0.041633816975413435
Energy: -0.027853032498667975
Energy: -0.1436448510068538
Energy: -0.027853032493229592
Energy: -0.03740959682010439
Energy: 0.037156276853580014
Energy: -0.13148808865030698
Energy: 0.0371562768572056
Energy: -0.04622037211751406
Energy: -0.02497612304800757
Energy: -0.006319261422967138
Energy: -0.02497612303803719
Energy: -0.12650015029454356
Energy: 0.07733739689384236
Energy: -0.011569199647864747
Energy: 0.07733739688840396
Energy: -0.006164981598606517
Energy: 0.06042700500876042
Energy: 0.002055826164005834
Energy: 0.06042700501238601
Energy: -0.051557815813568636
Energy: 0.08115836263736859
Energy: -0.00991152396956254
Energy: 0.08115836263827497
Energy: -0.07441231444741059
Energy: 0.09047172186658448
Energy: -0.008248631975091443
Energy: 0.0904717218611461
Energy: -0.03994188089332612
Energy: 0.05621459147476381
Energy: -0.110600472721211
Energy: 0.056214591478389406
Energy: -0.04204623580299893
Energy: 0.057412102020173085
Energy: -0.11375537381467239
Energy: 0.05741210202379867
Energy: -0.17175963159940144
Energy: -0.059104237342997995
Energy: -0.08284993645787626
Energy: -0.059104237342091595
Energy: -0.22317528781418278
Energy: -0.15825456665156618
Energy: -0.1351077038465916
Energy: -0.15825456665881735
Energy: 0.06965828728986721
Energy: 0.0025300770459715004
Energy: -0.29397326257171336
Energy: 0.0025300770459715004
Energy: -0.11613529216132866
Energy: -0.1557815182643186
Energy: -0.10012839744858247
Energy: -0.15578151823082312
Energy: -0.2606708290738249
Energy: -0.028062784175140933
Energy: 0.06380493858736454
Energy: -0.028062784174234533
Energy: -0.13707460588648773
Energy: -0.2990066442244546
Energy: -0.12962844564677667
Energy: -0.2990066443340875
Energy: -0.0930791722679962
Energy: -0.06514674548506326
Energy: -0.21365466278468317
Energy: -0.06514674548143767
Energy: -0.12785720450435087
Energy: -0.1598527397032893
Energy: -0.03445058035315985
Energy: -0.15985273969513175
Energy: -0.12615961548719853
Energy: 0.04943370109921063
Energy: -0.06051480295926364
Energy: 0.04943370109921063
Energy: -0.010066466463273707
Energy: 0.002153968265054024
Energy: -0.04965795306174673
Energy: 0.002153968406369651
Energy: 0.0012827990975929132
Energy: 0.08055188931078026
Energy: -0.10982422717400848
Energy: 0.08055188931078026
Energy: -0.002284415603875768
Energy: 0.07565523525139888
Energy: -0.010391405690473553
Energy: 0.07565523525139888
Energy: -0.014690805707106855
Energy: 0.06637379382322456
Energy: -0.04312048671134008
Energy: 0.06637379381869257
Energy: -0.003000486606803081
Energy: 0.06673700854948082
Energy: -0.03527008909685563
Energy: 0.06673700855220002
Energy: -0.10537387290517583
Energy: 0.03016793379602531
Energy: -0.030443512813200842
Energy: 0.030167933793306113
Energy: -0.11007247959259803
Energy: 0.060262033402026974
Energy: -0.057205758560494806
Energy: 0.060262033402026974
Energy: -0.09393024085674857
Energy: -0.0755066547090969
Energy: -0.17226093581120977
Energy: -0.07550665468557176
Energy: -0.11792510270708673
Energy: -0.08387572730612508
Energy: -0.21502734756314892
Energy: -0.08387572730884427
Energy: -0.29354791007750164
Energy: -0.11137521775737445
Energy: 0.06963863310856039
Energy: -0.11137521764139677

minimum gb energy = -19.624847403917283 eV
minimum distance =  2.24794997598597 Angstroms
sigma value = 1


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

Energy: -17.30522150449829
Energy: -0.07399401441598275
Energy: 0.2115005999754261
Energy: 0.1808117464847072
Energy: 0.020545992191369666
Energy: -0.10907898987805004
Energy: 0.023067891196499164
Energy: -0.10907898982947778
Energy: 0.21495405475580123
Energy: 0.14469165912379386
Energy: -0.17374933381079946
Energy: 0.14469165911966006
Energy: 0.021198813064294598
Energy: 0.029347037638332157
Energy: 0.024363165552367547
Energy: 0.02934703762593073
Energy: -0.09502990851787489
Energy: 0.08963954251214909
Energy: 0.045853825655524406
Energy: 0.0896395425080153
Energy: 0.13108233086401863
Energy: -0.009694238646266796
Energy: 0.015389645536924904
Energy: -0.009596118703553723
Energy: 0.12372796011610254
Energy: 0.19894730957321938
Energy: -0.023378898053783796
Energy: 0.19894730957528625
Energy: 0.1390983831709914
Energy: 0.14008796777280288
Energy: 0.1482471707698494
Energy: 0.14008796784819794
Energy: 0.14602565907464682
Energy: 0.2125931406430268
Energy: 0.08520566546564096
Energy: 0.21259314064199333
Energy: 0.15224673733506472
Energy: 0.20038397610174633
Energy: 0.1359338985899139
Energy: 0.20038397610277978
Energy: 0.02018096378650825
Energy: 0.2274042191554602
Energy: 0.1377480467479119
Energy: 0.2274042191544267
Energy: 0.041106253498699334
Energy: 0.13216675578344325
Energy: 0.151043375680775
Energy: 0.13216675626381066
Energy: 0.05991299326720261
Energy: 0.12415997545626827
Energy: -0.09229955830199153
Energy: 0.12415997548830529
Energy: 0.0199729309907052
Energy: 0.007467812182410773
Energy: -0.09838567783663074
Energy: 0.007467690693096322
Energy: -17.492083674656783
Energy: -0.011056824519527067
Energy: 0.21204358959843791
Energy: -0.011056931478737382
Energy: 0.014686840066390856
Energy: 0.015067375315518283
Energy: 0.024157337320437924
Energy: 0.015067375274227164
Energy: 0.2107308162188787
Energy: 0.13868365796670667
Energy: -0.167714044948935
Energy: 0.1386836579687736
Energy: 0.039929947445999044
Energy: -0.1110586616505018
Energy: -0.023785318164289398
Energy: -0.1110586616174783
Energy: -0.09415047933059638
Energy: 0.07428683919652826
Energy: 0.04507923242196466
Energy: 0.07428683919652826
Energy: 0.1035250427216173
Energy: 0.017345719286792745
Energy: 0.008589301445067617
Energy: 0.01734571924756853
Energy: 0.1312476549082683
Energy: 0.18508164477177041
Energy: -0.026775465191726813
Energy: 0.18508164477590422
Energy: 0.14595853688120247
Energy: 0.143044827152407
Energy: 0.14331055580791421
Energy: 0.14304482715757424
Energy: 0.1268260783212663
Energy: 0.21482656739496148
Energy: 0.08637619336006268
Energy: 0.21482656739289457
Energy: 0.144885520755653
Energy: 0.19989856701385497
Energy: 0.1450626977872092
Energy: 0.1998985670107546
Energy: 0.02945239885474009
Energy: 0.22480899238618657
Energy: 0.1266874601007171
Energy: 0.22480899239548766
Energy: 0.012987972476485659
Energy: 0.23346173617801147
Energy: 0.1276939753587525
Energy: 0.23346173618313176
Energy: 0.06390931760476162
Energy: 0.11494915602536837
Energy: -0.07707310074796798
Energy: 0.11494915627118908
Energy: 0.01964937232380534
Energy: 0.09377656787743399
Energy: -0.09802448816248992
Energy: 0.09377656785676496
Energy: -0.19653253397428563
Energy: 0.017687271582945675
Energy: 0.2056963929425105
Energy: 0.01768733109471782

minimum gb energy = -17.492083674656783 eV
minimum distance =  2.25175098132311 Angstroms
sigma value = 25


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

Energy: -14.855658319057952
Energy: 0.12030907518707122
Energy: 0.349074458720116
Energy: 0.34213344716601907
Energy: 0.20887581215533801
Energy: 0.009143875413640984
Energy: -15.39828805315854
Energy: 0.009143873870598307
Energy: 0.34669639884441944
Energy: 0.20463945355160104
Energy: -0.06967771615110395
Energy: 0.20463945315651616
Energy: -15.111130837234443
Energy: 0.18924252161768892
Energy: 0.16774323615714004
Energy: 0.18924252156723165
Energy: 0.0225625079563683
Energy: 0.17606371286489886
Energy: -15.442225493688664
Energy: 0.17606371248062624
Energy: -15.665329453295696
Energy: 0.12988797928423315
Energy: 0.1649155818775495
Energy: 0.12988797853490974
Energy: 0.2571262022324389
Energy: 0.4104377009947722
Energy: 0.07418656860700679
Energy: 0.41043770099597354
Energy: 0.24302982202969636
Energy: 0.23640418565463966
Energy: 0.2605275812095946
Energy: 0.23640418493174625
Energy: 0.2575602645843513
Energy: 0.40148453387197636
Energy: 0.22560015231747751
Energy: 0.4014845338731778
Energy: 0.2614816169475102
Energy: 0.300995615754666
Energy: 0.15955619390021555
Energy: 0.3009956157486591
Energy: 0.04783617074543677
Energy: 0.1762521536152969
Energy: 0.1891795367517533
Energy: 0.17625215360929006
Energy: 0.05358924878718541
Energy: 0.14965872364938496
Energy: 0.15998189492702228
Energy: 0.14965970995394098
Energy: -15.142735056910677
Energy: 0.2325945673231493
Energy: -15.020823978055022
Energy: 0.23259456734116973
Energy: 0.16995501776679012
Energy: 0.1777633624360648
Energy: -14.970472189041587
Energy: 0.17776336249367566
Energy: -0.07617017809109557
Energy: 0.21319294339640132
Energy: 0.3330218682495832
Energy: 0.21319294240931708
Energy: 0.07762613407435873
Energy: 0.05296769935334404
Energy: 0.16973110532534674
Energy: 0.05296769842747476
Energy: 0.1699908639836225
Energy: 0.25576356185960647
Energy: -15.09089710413929
Energy: 0.25576356187041877
Energy: -15.376353417409742
Energy: 0.13831683412268744
Energy: -15.477916084955703
Energy: 0.1383168330983609
Energy: 0.09535977342580454
Energy: 0.343632771559472
Energy: 0.2668047710246147
Energy: 0.34363277161113065
Energy: 0.2558803730362298
Energy: 0.3422352466669362
Energy: 0.2651372442912129
Energy: 0.3422352466320967
Energy: 0.21966727940040412
Energy: 0.41127371729964274
Energy: 0.25996922346543466
Energy: 0.41127371729964274
Energy: 0.22611490303710205
Energy: 0.40598154781221346
Energy: 0.24490415453836942
Energy: 0.4059815477797767
Energy: -15.347889819256814
Energy: 0.27512577774533464
Energy: 0.04606066016317315
Energy: 0.27512577755442696
Energy: 0.1541846876759733
Energy: -15.344206745581232
Energy: 0.04915561417727025
Energy: -15.419970356410628
Energy: -14.944029721948613
Energy: 0.19480115157075725
Energy: 0.355770899216911
Energy: 0.19480115158992442

minimum gb energy = -15.665329453295696 eV
minimum distance =  2.26549061695287 Angstroms
sigma value = 9


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

Energy: -12.337817073522237
Energy: -12.600262089634327
Energy: -12.659948322634834
Energy: -12.576223119990253
Energy: -12.597417300611635
Energy: 0.2872096374058137
Energy: -12.901947061139104
Energy: 0.2872096374244445
Energy: 0.5220255909510378
Energy: -12.631931652591254
Energy: -12.374363559790124
Energy: -12.503480020242383
Energy: -12.647445027832676
Energy: 0.3034822936299016
Energy: -12.844299959758379
Energy: 0.30348229351384975
Energy: -12.649677199125584
Energy: -12.970522237516043
Energy: -12.869093006623048
Energy: -12.919618615726913
Energy: -12.822584203671186
Energy: -12.828356237407496
Energy: -12.898761493523683
Energy: -12.84899616156157
Energy: -12.925825346344496
Energy: 0.5954201834221182
Energy: -12.941748319779048
Energy: 0.5954201834292839
Energy: -12.803752022104176
Energy: 0.49482172411952474
Energy: -12.870113706918271
Energy: 0.4948217241166585
Energy: -12.9292341129236
Energy: -12.749171537612982
Energy: -12.663521252171263
Energy: -12.958779699486639
Energy: -12.818708454619403
Energy: -12.67772035734574
Energy: 0.2132090523701822
Energy: -12.596854909206703
Energy: -12.458502469525675
Energy: -12.487234461227152
Energy: -12.818885703305853
Energy: -12.536991437123119
Energy: -12.54492648139644
Energy: -12.577922883039928
Energy: -12.813384023585419
Energy: -12.598470197743064
Energy: 0.541274164504175
Energy: -12.586484478852276
Energy: -12.384439402441213
Energy: -12.613026920327593
Energy: -12.580473772511374
Energy: 0.3098910558261288
Energy: -12.458366189874
Energy: 0.30989105552673285
Energy: -12.75118400285853
Energy: -12.924199275628416
Energy: -12.845591386196837
Energy: -12.822711882590585
Energy: -12.789655845673607
Energy: -12.955919135471545
Energy: -12.77515196445355
Energy: -12.821051658088631
Energy: -12.830707049854833
Energy: 0.5092928241977179
Energy: -13.032595202513257
Energy: 0.5092928242048511
Energy: -12.855856850737702
Energy: 0.5070465527163288
Energy: -12.846185193516908
Energy: 0.5070465525401504
Energy: -12.766141612573891
Energy: 0.4733399278142553
Energy: 0.2048047811997903
Energy: 0.47333992781282225
Energy: -12.78080640671704
Energy: -12.797332261271256
Energy: 0.19551062164618116
Energy: -13.003398736821214
Energy: -12.499969956077681
Energy: -12.866243910969914
Energy: 0.5214230583998918
Energy: -12.830072187519407

minimum gb energy = -13.032595202513257 eV
minimum distance =  2.34260751616996 Angstroms
sigma value = 25


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

Energy: -15.05823748435191
Energy: 0.38129584777756875
Energy: 0.703433363236543
Energy: 0.7008064222064874
Energy: 0.4222156174466928
Energy: 0.3428236725851128
Energy: 0.5102918000927597
Energy: 0.3428241392802117
Energy: 0.6547845171498038
Energy: 0.4329400178671295
Energy: 0.3900220447685602
Energy: 0.4643316465263195
Energy: 0.4562247266680432
Energy: 0.3409499329922716
Energy: 0.3964352960850399
Energy: 0.3409499311356481
Energy: 0.22464217225252092
Energy: 0.5642830942908885
Energy: -15.915888136173832
Energy: 0.5642830943706043
Energy: 0.3731455597479875
Energy: 0.39593712255568203
Energy: 0.39892055334057874
Energy: 0.39646698172957967
Energy: 0.3577024687635411
Energy: 0.5829036158944453
Energy: 0.34478219898862356
Energy: 0.5829036158944453
Energy: 0.36020182672102585
Energy: 0.3997005533149575
Energy: 0.3833555188296257
Energy: 0.39970055330964044
Energy: 0.4736875047933523
Energy: 0.3057805881857958
Energy: -15.28059961338811
Energy: 0.3057805880351859
Energy: -15.625837814664699
Energy: 0.3468559843153691
Energy: -15.352223915304211
Energy: 0.3468610931275261
Energy: 0.37039177718671873
Energy: 0.38678010230483334
Energy: 0.6930348146804161
Energy: 0.36688287368125516
Energy: -15.475247841249692
Energy: 0.35370529492591546
Energy: 0.4615282018613677
Energy: 0.35370528443469557
Energy: 0.3842401874143961
Energy: 0.3937193164004177
Energy: 0.22608932737406628
Energy: 0.39374160927212043
Energy: 0.3801254070478926
Energy: 0.5624675727794654
Energy: 0.3755159774125187
Energy: 0.5624675727830101
Energy: 0.4009486643070741
Energy: 0.5831421194449296
Energy: 0.35809796434337915
Energy: 0.5831421194237016
Energy: 0.3989300425080339
Energy: 0.3690490864529409
Energy: 0.3547656720687601
Energy: 0.3690490864529409
Energy: -15.326616374344786
Energy: 0.37535819801105663
Energy: 0.4640654104283902
Energy: 0.37535819803055254

minimum gb energy = -15.915888136173832 eV
minimum distance =  2.2470589177986 Angstroms
sigma value = 17


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

Energy: -17.62392669826087
Energy: 0.39923029704571344
Energy: 0.5928553543091776
Energy: 0.593260759931238
Energy: 0.33914154259778156
Energy: 0.4036529141353183
Energy: 0.49184836485180383
Energy: 0.4036529141373259
Energy: 0.44978884392042806
Energy: 0.39194942966172874
Energy: 0.4827574358360225
Energy: 0.39194942966172874
Energy: 0.44632832306318
Energy: 0.3693621514071353
Energy: 0.46376131349987787
Energy: 0.3693621514061315
Energy: 0.4563815129201658
Energy: 0.4524078564034541
Energy: 0.34314321836373873
Energy: 0.45240785640445796
Energy: 0.45750362632300595
Energy: 0.32921374625443395
Energy: 0.4569149116836793
Energy: 0.3292137462564415
Energy: 0.3481552463922849
Energy: 0.40686719634324453
Energy: 0.4626360642873723
Energy: 0.40686719634324453
Energy: 0.5328621754406583
Energy: 0.4032899399184093
Energy: 0.35571094979561
Energy: 0.4032899399194131
Energy: 0.5848115833345517
Energy: 0.5199747592437673
Energy: 0.311318960017867
Energy: 0.5199747592457749
Energy: 0.5609473730085187
Energy: 0.3628385028001459
Energy: 0.4178444391319494
Energy: 0.3628385028001459
Energy: 0.3460601025446049
Energy: 0.35199113831107753
Energy: 0.32972371687518703
Energy: 0.3519911383130851
Energy: 0.554292307159055
Energy: 0.40792369224800495
Energy: 0.3452361799004852
Energy: 0.407923691917899
Energy: 0.4610564099467362
Energy: 0.4049881592327276
Energy: 0.3440583906834781
Energy: 0.4049881592367427
Energy: 0.4911168324201107
Energy: 0.3974140036654531
Energy: 0.3493373093832193
Energy: 0.39741400366444923
Energy: 0.5472072631844376
Energy: 0.3451858639989688
Energy: 0.4919855224278662
Energy: 0.34518586399997253
Energy: 0.5928058226389681
Energy: 0.3337052955222122
Energy: 0.49360805927152906
Energy: 0.33370529552020467
Energy: 0.46320716787151645
Energy: 0.4000900650835256
Energy: 0.46608877351123856
Energy: 0.4000900650825219
Energy: 0.45505479976501784
Energy: 0.39487291523908985
Energy: 0.4701079477704024
Energy: 0.39487291523908985
Energy: 0.4494549143981674
Energy: 0.43174541927153215
Energy: 0.45557652926067244
Energy: 0.4317454192725359
Energy: 0.35033029747369243
Energy: 0.4225867180613888
Energy: 0.46236580655883236
Energy: 0.42258671805938125
Energy: 0.4539190061049953
Energy: 0.40435222374010404
Energy: 0.5303079810290375
Energy: 0.40435222373910024
Energy: 0.44700436409905886
Energy: 0.3860717185416552
Energy: 0.2812656755118474
Energy: 0.3860717185486816
Energy: 0.4130800495993197
Energy: 0.3500822192033331
Energy: 0.4860344080514814
Energy: 0.3500822192043369
Energy: 0.30862541773013896
Energy: 0.5095725477536022
Energy: 0.556103490705805
Energy: 0.5095725477546059
Energy: 0.34665332366462037
Energy: 0.38986748592380427
Energy: 0.5530541812769215
Energy: 0.3898674859228005
Energy: 0.3468262044551149
Energy: 0.42437133965236357
Energy: 0.34799707682492403
Energy: 0.42437133964634094
Energy: 0.34093719833884134
Energy: 0.35158432221802977
Energy: 0.5494688698966299
Energy: 0.3515843222160222
Energy: 0.34837429043319845
Energy: 0.42635258201816845
Energy: 0.48548988359783835
Energy: 0.426352582020176
Energy: 0.34526715341946695
Energy: 0.41104349756652236
Energy: 0.4897918821424587
Energy: 0.4110434975685299
Energy: 0.48206338994832243
Energy: 0.47238301595436116
Energy: 0.5539586933060927
Energy: 0.4723830159563687

minimum gb energy = -17.62392669826087 eV
minimum distance =  2.22147965488286 Angstroms
sigma value = 53


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

Energy: -16.08814752614901
Energy: 0.546584232815306
Energy: 0.6339888587656141
Energy: 0.6398241392697486
Energy: 0.6499245886095182
Energy: 0.6087202008214692
Energy: 0.6287270233951926
Energy: 0.6087202008376453
Energy: 0.6380418960324244
Energy: 0.6024054987152992
Energy: 0.4653885169320465
Energy: 0.6024054678557899
Energy: 0.6275778808201223
Energy: 0.6071403798527621
Energy: 0.6289700886042036
Energy: 0.6071403798273427
Energy: 0.6517994471063645
Energy: 0.611372583635851
Energy: 0.5140675569866203
Energy: 0.6113725836335401
Energy: 0.638825526666533
Energy: 0.6105192848095506
Energy: 0.5110704059523536
Energy: 0.6105192848072397
Energy: 0.6310728963213764
Energy: 0.637049931667221
Energy: 0.609284125491408
Energy: 0.6370499316833446
Energy: 0.6484373982097392
Energy: 0.6152761369596129
Energy: 0.6255294589009509
Energy: 0.6152761369549912
Energy: 0.6085683292831772
Energy: 0.6229749561654028
Energy: 0.49779645579578785
Energy: 0.6228116401421786
Energy: 0.6310652267862717
Energy: 0.604227982643002
Energy: 0.6296604996338321
Energy: 0.6042279826568673
Energy: 0.6471127434919821
Energy: 0.6158493920024577
Energy: 0.49820681202184397
Energy: 0.6158493920024577
Energy: 0.639639894763287
Energy: 0.6066849546566063
Energy: 0.5330349747500026
Energy: 0.6066849546612281
Energy: 0.6470939173057677
Energy: 0.6146461499457545
Energy: 0.6255861848802474
Energy: 0.6146461499480654

minimum gb energy = -16.08814752614901 eV
minimum distance =  2.27856473598935 Angstroms
sigma value = 9


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

Energy: 0.38084833478162
Energy: 0.45625995070073533
Energy: 0.5459497303159121
Energy: 0.5200074378373635
Energy: 0.4705397631190752
Energy: 0.4164361056486018
Energy: 0.6967716685884985
Energy: 0.4164361056289302
Energy: 0.44662834088095266
Energy: 0.36712209953370906
Energy: 0.4266145746019973
Energy: 0.3671220995354196
Energy: 0.4584595113532476
Energy: 0.37535987556298367
Energy: 0.5937038526120277
Energy: 0.375359875563839
Energy: 0.4135640566528678
Energy: 0.400269077865983
Energy: 0.6427806678068203
Energy: 0.4002690778651277
Energy: 0.40848234255780275
Energy: 0.40939705628915535
Energy: 0.6466914275216707
Energy: 0.40939705628915535
Energy: 0.5058600531486608
Energy: 0.5108637219603465
Energy: 0.6823480369364358
Energy: 0.5108637219543595
Energy: 0.46785232338961347
Energy: 0.46757085924780856
Energy: 0.5559567584409699
Energy: 0.46757085925122965
Energy: 0.5040312068251398
Energy: 0.46910279485757006
Energy: 0.3603601483705336
Energy: 0.4691027948609912
Energy: 0.4034170896511579
Energy: 0.41889847001331587
Energy: 0.6015326537663676
Energy: 0.41889847001246056
Energy: 0.4645047840733595
Energy: 0.4103708205121114
Energy: 0.41854338985880324
Energy: 0.41037082051638785
Energy: 0.4412645320815082
Energy: 0.4039643900967526
Energy: 0.5135068373510813
Energy: 0.4039643901070161
Energy: 0.654195052283919
Energy: 0.48242116838293286
Energy: 0.6214349424073898
Energy: 0.4824211683846435
Energy: 0.6515891936770847
Energy: 0.4596634703436737
Energy: 0.4471589729305404
Energy: 0.45966347034966076
Energy: 0.5615221840626613
Energy: 0.40644858938580747
Energy: 0.4491506727280779
Energy: 0.40644858938751804
Energy: 0.41553793385720955
Energy: 0.39507933537944295
Energy: 0.4531816246574142
Energy: 0.39507933537858764
Energy: 0.5963883382168811
Energy: 0.44423901917104563
Energy: 0.4739273729806789
Energy: 0.44423901917275627
Energy: 0.5288020419584485
Energy: 0.41947366660456314
Energy: 0.21167552361681957
Energy: 0.4194736666062738
Energy: 0.6976852900055459
Energy: 0.4342112707021366
Energy: 0.4384366649349328
Energy: 0.4342112707397694
Energy: 0.4188481020296666
Energy: 0.35216124942999927
Energy: 0.43587369615129257
Energy: 0.35216124943256516
Energy: 0.709131335027632
Energy: 0.37961799637850574
Energy: 0.4665281913136777
Energy: 0.37961799637850574
Energy: 0.645094042510594
Energy: 0.4170374869323575
Energy: 0.41237898191887234
Energy: 0.4170374869297916
Energy: 0.6433211265096246
Energy: 0.39768286371565037
Energy: 0.4173371816698691
Energy: 0.3976828640216891
Energy: 0.7030247111047754
Energy: 0.4697061694716989
Energy: 0.488246189933533
Energy: 0.46970616946485655
Energy: 0.5444037065902385
Energy: 0.43069279826158346
Energy: 0.4663470838059433
Energy: 0.4306927982333589
Energy: 0.3765769340255614
Energy: 0.428106507088858
Energy: 0.4542221903958993
Energy: 0.42810650709056863
Energy: 0.6008987570647495
Energy: 0.41398794514371295
Energy: 0.41127118191714007
Energy: 0.41398794514114706
Energy: 0.42803333123877635
Energy: 0.418030506444138
Energy: 0.4581787724923071
Energy: 0.41803050644328266
Energy: 0.49800799819570146
Energy: 0.4069080543340989
Energy: 0.4692867733533542
Energy: 0.40690805433495414
Energy: 0.6275052893198815
Energy: 0.4843238108412313
Energy: 0.6554914273316685
Energy: 0.4843238108386654
Energy: 0.4392961902134373
Energy: 0.3975456086002301
Energy: 0.33482848916510755
Energy: 0.39754560860194066
Energy: 0.47965140794329025
Energy: 0.3839234177499234
Energy: 0.5669532617816742
Energy: 0.3839234177490682
Energy: 0.44481487645926426
Energy: 0.39932694577578554
Energy: 0.4216669935190987
Energy: 0.39932694577407496
Energy: 0.47727075042846434
Energy: 0.44172880228538963
Energy: 0.45585724392929955
Energy: 0.44172880228966604
Energy: 0.33160074896178937
Energy: 0.4218519088295522
Energy: 0.5423309349744394
Energy: 0.4218519088252758

minimum gb energy = 0.21167552361681957 eV
minimum distance =  2.2489236645788 Angstroms
sigma value = 73


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

Energy: -12.869543246853134
Energy: 0.5603977865250042
Energy: -13.388671091082514
Energy: -13.49793951310591
Energy: -13.53197672177744
Energy: 0.707409677861107
Energy: -13.532843104693058
Energy: 0.7074096778597498
Energy: -13.640675436125559
Energy: 0.5192444451889793
Energy: -13.15318730946266
Energy: 0.5192444452011922
Energy: -13.632865337813639
Energy: -13.590238257749395
Energy: -13.244102654129588
Energy: -13.512059894010733
Energy: -13.781511845896123
Energy: -13.709687337720334
Energy: -13.180496510741335
Energy: -13.76426233386276
Energy: -13.638198005294237
Energy: -13.707555630937785
Energy: -13.03675102802662
Energy: -13.585711636592876
Energy: -13.403917103923188
Energy: -13.410468597363279
Energy: -13.432411839370513
Energy: -13.35128891821602
Energy: -13.288831690439121
Energy: 0.6122712753400623
Energy: -13.501924893113426
Energy: 0.6122712753224522
Energy: -13.598033816532904
Energy: 0.6995910952463412
Energy: -13.4061031130413
Energy: 0.6995910952571971
Energy: -13.479686207150248
Energy: 0.5550036602128927
Energy: -13.453934631971245
Energy: 0.5550036602223916
Energy: -13.414834104852302
Energy: 0.6052115800787297
Energy: -13.5437528451388
Energy: 0.6052115800529776
Energy: -13.41207810108802
Energy: -13.734275326309346
Energy: -13.080581352528428
Energy: -13.714466552536368
Energy: -13.294690747584871
Energy: -13.68131104440864
Energy: -13.818691945557077
Energy: -13.701749087757573
Energy: -13.27277704623192
Energy: -13.550879639160685
Energy: -13.619039409342056
Energy: -13.510397082608915
Energy: -13.088001988915758
Energy: 0.5389668024529349
Energy: -13.71420834221861
Energy: 0.5389668024570059
Energy: -13.06439998267631
Energy: -13.645107636707127
Energy: -13.700280338123427
Energy: -13.583332000124988
Energy: -13.23000903615627
Energy: 0.709338444579431
Energy: -13.737890974481221
Energy: 0.709338444579431
Energy: -13.419991852676441
Energy: 0.6207826850258527
Energy: -13.295222171840651
Energy: 0.6207826850258527
Energy: -13.588332508948506
Energy: 0.606281628807084
Energy: -13.257509245885172
Energy: 0.606281628809798
Energy: -13.505035350763869
Energy: 0.5597066829083504
Energy: -13.446851742424236
Energy: 0.5597066829083504
Energy: -13.541557896302388
Energy: 0.5611906267988863
Energy: -13.454272848694313
Energy: 0.5611906268002433
Energy: -13.14636264353829
Energy: 0.6316233025949942
Energy: -13.372366151946979
Energy: 0.6316233025977083

minimum gb energy = -13.818691945557077 eV
minimum distance =  2.23822749859022 Angstroms
sigma value = 7


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

Energy: -18.225584896405532
Energy: 0.46464289515714724
Energy: 0.5467420045757773
Energy: 0.5289876018752361
Energy: 0.5112673795192298
Energy: 0.5710491268483535
Energy: 0.5827637734903617
Energy: 0.5710491267649176
Energy: 0.5175800735522366
Energy: 0.4985244312072347
Energy: 0.46778068400179235
Energy: 0.4985244312101133
Energy: 0.5048064941044318
Energy: 0.49689624091741363
Energy: 0.6763888295318397
Energy: 0.49689624091357554
Energy: 0.5093719843745869
Energy: 0.5252357791292149
Energy: 0.4612093226786627
Energy: 0.5252357791301745
Energy: 0.6543279663642738
Energy: 0.4956694366602159
Energy: 0.4977548046207685
Energy: 0.49566943634657834
Energy: 0.587659673793931
Energy: 0.4954114415472449
Energy: 0.6289076328320374
Energy: 0.495411441551999
Energy: 0.571496975522393
Energy: 0.533264179691429
Energy: 0.5259914171927641
Energy: 0.5332641796885506
Energy: 0.5500742954231954
Energy: 0.49929055634149255
Energy: 0.49614938249811397
Energy: 0.4992905563357354
Energy: 0.570218979296562
Energy: 0.5368709751835176
Energy: 0.524201380566392
Energy: 0.5368709751835176
Energy: -18.946210099070676
Energy: 0.5240494852355047
Energy: 0.5208677477632492
Energy: 0.5240494843195835
Energy: 0.5545596111998451
Energy: 0.5227447754598467
Energy: -18.186721217670094
Energy: 0.5227447754617658
Energy: 0.558195512538206
Energy: 0.517515607875272
Energy: 0.6025943055328815
Energy: 0.5175156078695147
Energy: 0.5454884630058348
Energy: 0.5296745038825409
Energy: 0.4412735221007485
Energy: 0.5296745038806219
Energy: 0.5800849849475895
Energy: 0.565213088743735
Energy: 0.45861374969602003
Energy: 0.565213088743735
Energy: 1.0410483464989906
Energy: 0.5208821215041157
Energy: 0.5612404548454596
Energy: 0.5208821215021966
Energy: 0.6042528300885639
Energy: 0.5281109656727487
Energy: 0.7021473357338726
Energy: 0.5281109592342599
Energy: 0.5415057820047664
Energy: 0.5904106041527328
Energy: 0.46251652099186946
Energy: 0.5904106041613687
Energy: 0.4988359102105855
Energy: 0.4970863157425487
Energy: 0.6587824202960256
Energy: 0.4970863157377511
Energy: 0.5003604988669803
Energy: 0.49508678074230955
Energy: 0.6385133901176189
Energy: 0.4950867807451882
Energy: 0.6290581089874656
Energy: 0.4777711816811192
Energy: 0.4894634252269179
Energy: 0.4777711816801597
Energy: -18.9754275127573
Energy: 0.5452574503062154
Energy: 0.620624731078794
Energy: 0.5452574502966201
Energy: 0.5987485058542379
Energy: 0.5076102930592592
Energy: 0.516741569875434
Energy: 0.5076102930602187
Energy: 0.7312912161809385
Energy: 0.49761811446921317
Energy: 0.48950638472215147
Energy: 0.49761811446537507
Energy: 0.5689009427517826
Energy: 0.4997183120569072
Energy: 0.5150430754376625
Energy: 0.4997183120559476
Energy: 0.5470975658834111
Energy: 0.5288317253838054
Energy: 0.539064152967437
Energy: 0.5288317232402012
Energy: 0.5412672012052082
Energy: 0.5240146308914403
Energy: -18.028146100570446
Energy: 0.5240146308904807
Energy: 0.6027328664639345
Energy: 0.5285168829722922
Energy: 0.5949674567835198
Energy: 0.5285168829981559
Energy: 0.5404545542243968
Energy: 0.5627572944753615
Energy: 0.5557995676028916
Energy: 0.5627572944829942
Energy: 0.5185258258862389
Energy: 0.520351310353242
Energy: 0.43356994623140604
Energy: 0.5203513103465252
Energy: 0.610488022278134
Energy: 0.5118913424751745
Energy: 0.5818238351009856
Energy: 0.5118913424751745

minimum gb energy = -18.9754275127573 eV
minimum distance =  2.23332745417038 Angstroms
sigma value = 29


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

Energy: -14.423294285373618
Energy: 0.5957332981983542
Energy: -14.672929763391027
Energy: -14.505170729082574
Energy: -14.382055249840603
Energy: -14.490297737074853
Energy: -14.738510312145086
Energy: -14.503720364365746
Energy: -14.66599667956306
Energy: -14.447684571429562
Energy: -14.199854043883155
Energy: -14.479816993057595
Energy: -14.394288466746945
Energy: -14.638169833348337
Energy: -14.553919309117754
Energy: -14.605402546682896
Energy: -14.681794690209674
Energy: -14.500763297051558
Energy: -14.320537302627065
Energy: -14.605565703285174
Energy: -14.510263118198298
Energy: -14.395431523654846
Energy: -14.344704552529793
Energy: -14.395431495230088
Energy: -14.246105378629608
Energy: -14.502582349095738
Energy: -14.671390105992565
Energy: -14.45335941426755
Energy: -14.651832644239603
Energy: -14.486826395875886
Energy: -14.376629766941738
Energy: -14.50998748244806
Energy: -14.404669264848009
Energy: -14.557648702982057
Energy: -14.66418628048818
Energy: -14.482143391399612

minimum gb energy = -14.738510312145086 eV
minimum distance =  2.32434535667357 Angstroms
sigma value = 5


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

Energy: -19.63471507963282
Energy: 0.3287375228064258
Energy: 0.3377639281838382
Energy: 0.26956001083829656
Energy: 0.3063046160006697
Energy: 0.32208905392131626
Energy: 0.6931863699945624
Energy: 0.3220890539249418
Energy: 0.7186310137402101
Energy: 0.3673626985574436
Energy: 0.6969885386065598
Energy: 0.367362698562882
Energy: 0.33976716187364775
Energy: 0.46149591541509816
Energy: 0.6114475872347364
Energy: 0.46149591537974866
Energy: 0.6003537710419817
Energy: 0.26407123418056
Energy: 0.534127693566643
Energy: 0.2640712341814664
Energy: 0.2941711218646035
Energy: 0.30192630601557574
Energy: -19.802065608492132
Energy: 0.3019263060128565
Energy: 0.34901373889741394
Energy: 0.32572492427417954
Energy: 0.6091319589562756
Energy: 0.3257249242750859
Energy: 0.3497842812022594
Energy: 0.3715070583805504
Energy: 0.9480310860002608
Energy: 0.37150705837873765
Energy: 0.3251058370320436
Energy: 0.37661780451382215
Energy: -19.976782104637937
Energy: 0.37661780451291577
Energy: 0.5569617570323919
Energy: 0.2932714268922923
Energy: 0.23040531556202348
Energy: 0.29327142689773067
Energy: 0.3218976124093959
Energy: 0.2836919601214029
Energy: 0.27589988762882295
Energy: 0.2836919601177773
Energy: -19.928116349206793
Energy: 0.2969423921565692
Energy: 0.27503949934480304
Energy: 0.2969423921601948
Energy: -20.136789556947498
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Energy: 0.5217189424828801
Energy: 0.2880782547028916
Energy: 0.31753570268207704
Energy: 0.37900884494086
Energy: 0.6058258475826663
Energy: 0.3790088449444856
Energy: 0.3351283015564287
Energy: 0.3202748134363062
Energy: 0.6126773497528457
Energy: 0.3202748134317741
Energy: 0.3406024163263903
Energy: 0.3182954310401155
Energy: 0.5959539787330362
Energy: 0.3182954310455538
Energy: 0.3586199661306967
Energy: 0.32798874766166247
Energy: 0.24842324508496255
Energy: 0.32798874765984964
Energy: 0.684744264913351
Energy: 0.3240777521659406
Energy: 0.3129818049963205
Energy: 0.3240777521677534
Energy: 0.693311720799101
Energy: 0.4812515219632446
Energy: 0.7082314494483204
Energy: 0.48125152196233817
Energy: 0.6105101751708326
Energy: 0.4700267366940852
Energy: 0.33082354729479546
Energy: 0.47002673668411477
Energy: 0.4492648219891463
Energy: 0.30525680634105473
Energy: 0.6232378168734808
Energy: 0.3052568063491712
Energy: 0.46423970499361034
Energy: 0.29759975345630096
Energy: 0.30038943080816544
Energy: 0.29759975346536494
Energy: 0.6072424602494784
Energy: 0.32024451786952823
Energy: 0.3442803624946756
Energy: 0.32024451786952823
Energy: 0.9471653856571278
Energy: 0.3220895366020203
Energy: 0.3406544054279736
Energy: 0.3220895366038331
Energy: 0.8673044899457394
Energy: 0.3776420022782135
Energy: 0.3222435346646096
Energy: 0.3776420022754943
Energy: 0.2476599272467172
Energy: 0.2938576483526057
Energy: -19.7468614856339
Energy: 0.29385764835441847
Energy: 0.2941054209063389
Energy: 0.2886707846783552
Energy: 0.3200678140345603
Energy: 0.28867078467382323
Energy: 0.2775689405890267
Energy: 0.2962276595630909
Energy: 0.33098705562596276
Energy: 0.29622765956218444
Energy: 0.25809201511611035
Energy: 0.29661157639087626
Energy: 0.8440994875248725
Energy: 0.29661157639178265
Energy: 0.6126851592130348
Energy: 0.362979721372451
Energy: 0.31778866281208856
Energy: 0.36297972137426376
Energy: 0.6000062454605353
Energy: 0.31374728770674654
Energy: 0.3429336850707535
Energy: 0.31374728770855936
Energy: 0.5948940602637199
Energy: 0.32224836518087696
Energy: 0.34081887759854274
Energy: 0.32224836517725136
Energy: 0.2792499274300029
Energy: 0.3249672786523011
Energy: 0.3558027878420824
Energy: 0.3249672786523011

minimum gb energy = -20.136789556947498 eV
minimum distance =  2.25052385825743 Angstroms
sigma value = 1


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

Energy: -13.736265503878519
Energy: 0.21034008938565799
Energy: -14.700027032931812
Energy: -14.753798459627529
Energy: -14.41562475967528
Energy: -14.762539647714954
Energy: -14.610726459020334
Energy: -14.843511074009795
Energy: -14.607115777529254
Energy: -14.653195862803617
Energy: -14.581633253427656
Energy: -14.53907444761058
Energy: -14.659081794997567
Energy: 0.4802670374287006
Energy: -14.487636657088858
Energy: 0.4802670374412331
Energy: -14.793458948616045
Energy: -14.712700756134158
Energy: -14.1735195085535
Energy: -14.760539039981055
Energy: -14.845159654913587
Energy: -14.768196943940342
Energy: -14.227521070050736
Energy: -14.675309538288634
Energy: -14.708784496289708
Energy: -14.78319321457893
Energy: -14.676475612583657
Energy: -14.851129481916379
Energy: -14.891659417743492
Energy: -14.957313442502059
Energy: -14.247667713984006
Energy: -14.74076920855357
Energy: -14.382549197002996
Energy: 0.3780157594445927
Energy: -14.247719946197675
Energy: 0.3780157594483525
Energy: -14.203883892719421
Energy: -14.657409040288583
Energy: -14.857701604089543
Energy: -14.716105713586204
Energy: -14.442310161214873
Energy: -14.811540206010207
Energy: -14.889624125873153
Energy: -14.688896027543972
Energy: -13.8628624729064
Energy: -14.78334344114505
Energy: -14.766070767335306
Energy: -14.77748455626233
Energy: -14.037917208796902
Energy: -14.751745246212163
Energy: -14.757692027625033
Energy: -14.745326275803288
Energy: -14.940473132224845
Energy: -14.48873273173336
Energy: -14.55969398662673
Energy: -14.498909555151357
Energy: -14.555369880481948
Energy: -14.53345252216783
Energy: -14.440747124115449
Energy: -14.479087941184012
Energy: -14.642562503132922
Energy: -14.738722347820035
Energy: -14.473728028247203
Energy: -14.663783778522467
Energy: -14.855200877281458
Energy: -14.741138089314834
Energy: -14.280782495831064
Energy: -14.859824070006841
Energy: -14.854562274985149
Energy: -14.796358971166718
Energy: -14.144961953308368
Energy: -14.80816212084239
Energy: -14.981945291045038
Energy: -14.801934523038554
Energy: -14.377131814056044
Energy: -14.738889014925059
Energy: -14.934092256403277
Energy: -14.770751907063385
Energy: -14.149154124952224
Energy: -14.880857278585205
Energy: -14.332186035964712
Energy: 0.3770171606370779
Energy: -14.784079421180426
Energy: 0.37701716062579865
Energy: -14.366140915547742
Energy: -14.88820650613071
Energy: -14.934918176941848
Energy: -14.841526747910118
Energy: -14.594881737576761
Energy: -14.682917165018816
Energy: -14.749703266444305
Energy: -14.899226389963362
Energy: -13.843007316497898
Energy: -14.806940748218041
Energy: -14.847576908948428
Energy: -14.908978016808293

minimum gb energy = -14.981945291045038 eV
minimum distance =  2.31737484972561 Angstroms
sigma value = 17


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

Energy: 1.3179389419739125
Energy: 0.16773771322093556
Energy: 0.31007471500223677
Energy: 0.19589380022430136
Energy: 0.3355630330659216
Energy: 0.21417012527674187
Energy: 0.43804957888915524
Energy: 0.21417012528293872
Energy: 0.6629202451495388
Energy: 0.27668302662393274
Energy: 0.5180304568599108
Energy: 0.27668302662548194
Energy: 0.6705369884961357
Energy: 0.23113453467119854
Energy: 0.502270317171734
Energy: 0.23113453467352238
Energy: 0.4578453559554292
Energy: 0.16447804755776282
Energy: 0.19984762472401102
Energy: 0.16447804755621365
Energy: 0.16143986549315514
Energy: 0.18142907752992504
Energy: 0.5806104140428614
Energy: 0.18142907752760123
Energy: 0.16844399092453646
Energy: 0.16484079227934625
Energy: 0.2594284633838439
Energy: 0.1648407922746986
Energy: 0.1734725630077438
Energy: 0.16780656115011938
Energy: -23.34869227000571
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Energy: 0.39190140303725346
Energy: 0.16930455675356187
Energy: 0.4311252542334445
Energy: 0.16930455675511105
Energy: 0.43672336272734635
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Energy: 0.4999511338889942
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Energy: 0.21563446445656426
Energy: 0.22488417451452716
Energy: 0.21563446446508489
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Energy: 0.48032038182553866
Energy: 0.20597964549538916
Energy: 0.9073140319229231
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Energy: 0.18170694004130072
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Energy: 0.21455357829885752
Energy: 0.2247371787775189
Energy: 0.2145535782980829
Energy: 0.5683305945475007
Energy: 0.21631929989582616
Energy: 0.21761712982942485
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Energy: -0.01382140983372305
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Energy: 0.2070701833462357
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Energy: 0.2933146654620069
Energy: 0.21275378229318812
Energy: 0.21730298351369348
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Energy: -24.00532378361207
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Energy: 0.19714644676539544
Energy: 0.2150578230986806
Energy: 0.3499026862965382
Energy: 0.2150578230986806
Energy: 0.22670045178984471
Energy: 0.20341282792882173
Energy: 1.3292366534367526
Energy: 0.2034128279350186
Energy: 0.482359879515819
Energy: 0.20979332409249743
Energy: 0.37531818003346573
Energy: 0.20979332409559584
Energy: 0.490903452583418
Energy: 0.27006281461987647
Energy: 0.6699852343400653
Energy: 0.2700628146229749
Energy: 0.2568072007240288
Energy: 0.23097459002199092
Energy: 0.6712121335842458
Energy: 0.23097459002431472
Energy: 0.20965334812032693
Energy: 0.16813538799938177
Energy: 0.45317303771413814
Energy: 0.16813538799550878
Energy: 0.5699502180411985
Energy: 0.17724700143921546
Energy: 0.18400131783385426
Energy: 0.17724700143921546
Energy: 0.27423742377072585
Energy: 0.1664073843283567
Energy: 0.1687886236119099
Energy: 0.1664073843283567
Energy: -23.44084408329972
Energy: 0.16830210949398758
Energy: 0.17415307781486775
Energy: 0.1683021094986352
Energy: 0.4297813750665714
Energy: 0.1737879189851703
Energy: 0.3587188369816166
Energy: 0.17378791898439566
Energy: 0.4643946344425471
Energy: 0.27381457777019164
Energy: 0.43715016958095804
Energy: 0.27381457777251544
Energy: 0.23390073562259073
Energy: 0.21825727862608021
Energy: 0.39248359781551356
Energy: 0.21825727862143257
Energy: 0.45699857086145756
Energy: 0.19623254042292823
Energy: 0.7247031610161548
Energy: 0.19623254042137905
Energy: 0.16710089858053104
Energy: 0.17039357786293363
Energy: 0.7236996581147136
Energy: 0.17039357786293363
Energy: 0.22116651132044948
Energy: 0.2133066301251578
Energy: 0.38882862175193034
Energy: 0.2133066301251578
Energy: 0.19547364297548928
Energy: 0.21530897922236727
Energy: 0.5541184986986369
Energy: 0.21530897922081807
Energy: 0.40192905217454666
Energy: 0.209222299839441
Energy: 0.03352331606879677
Energy: 0.2092222998293711
Energy: 0.03986536861677352
Energy: 0.20760330291060525
Energy: 0.2078182447114621
Energy: 0.2076033029059576
Energy: -23.851175646521757
Energy: 0.20450346868836738
Energy: 0.21079908849897758
Energy: 0.2045034686868182
Energy: 0.3385802382931654
Energy: 0.20482893507543323
Energy: 0.21744919749079467
Energy: 0.204828935073884

minimum gb energy = -24.00532378361207 eV
minimum distance =  2.24951830330372 Angstroms
sigma value = 89


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

Energy: -12.778464996248388
Energy: -13.770915780971194
Energy: -13.822675850070123
Energy: -13.87521426537291
Energy: -13.69689785221223
Energy: -13.739604677714944
Energy: -13.862612260809142
Energy: -13.733383415833673
Energy: -13.776916932853922
Energy: -13.842453993386512
Energy: -13.759560829774426
Energy: -13.821735407647852
Energy: -13.681252416590652
Energy: -13.741045703383293
Energy: -13.865823957849827
Energy: -13.716755639997112
Energy: -13.849344840190236
Energy: -13.852236033996498
Energy: -13.687111736309962
Energy: -13.922503419681947
Energy: -13.887880554546411
Energy: -13.9064861267873
Energy: -13.611299161390791
Energy: -13.919948743787883
Energy: -13.950026114960828
Energy: -13.934770927700779
Energy: -13.854291303950673
Energy: -13.928142200754277
Energy: -13.964815659179038
Energy: -13.905544280297457
Energy: -13.66936328816565
Energy: -13.847927262147651
Energy: -13.904896379058341
Energy: -13.950887755103723
Energy: -13.751375678665767
Energy: -13.898657347442166
Energy: -13.772568924820334
Energy: -13.752166632489857
Energy: -13.784666249904175
Energy: -13.758919870210535
Energy: -13.919724268602316
Energy: -13.668088347486382
Energy: -13.694089656401415
Energy: -13.696018162379684
Energy: -13.559241439251952
Energy: -13.825432714064032
Energy: -13.97141483965395
Energy: -13.892683264155902
Energy: -13.650158230390952
Energy: -13.833412453655605
Energy: -13.923672663368368
Energy: -13.921891597435394
Energy: -13.854559444696262
Energy: -13.964913240419428
Energy: -13.977136226781399
Energy: -13.974499134220478
Energy: -13.81779619950738
Energy: -13.82772549163144
Energy: -13.865876810438387
Energy: -13.9737853528373

minimum gb energy = -13.977136226781399 eV
minimum distance =  2.29933445492024 Angstroms
sigma value = 13


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

Energy: 1.2398526824177725
Energy: -0.011054675637678818
Energy: 0.07707281559981556
Energy: 0.07512114219888949
Energy: 0.03776163625596186
Energy: 0.06714208400965291
Energy: 0.39867351623324676
Energy: 0.06714208401135188
Energy: 0.05074280517361011
Energy: 0.062137017478284956
Energy: 0.39818662796208737
Energy: 0.06213701748083344
Energy: 0.6423952665618666
Energy: 0.06360415493784088
Energy: 0.37407164346915395
Energy: 0.06360415494378734
Energy: 0.5337710527673208
Energy: 0.07194813776222303
Energy: 0.29686046870181515
Energy: 0.07194813775882507
Energy: 0.3987006405178097
Energy: 0.0681823553874663
Energy: 0.301462747159775
Energy: 0.06818235538151984
Energy: 0.40682355162575956
Energy: 0.06373840346317397
Energy: 0.3659486130461157
Energy: 0.06373840347081941
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Energy: 0.179778552005952
Energy: 0.06281591378142988
Energy: 0.04119291618146029
Energy: 0.06921609041768713
Energy: 0.288027666236411
Energy: 0.06921609041428917
Energy: 0.05045319410984008
Energy: 0.0661971224034529
Energy: 0.40026960541429996
Energy: 0.06619712240005492
Energy: 0.0386704514906574
Energy: 0.0761764696347869
Energy: 1.3341900601364804
Energy: 0.07617646962884048
Energy: 0.401224294233357
Energy: 0.07431643835171067
Energy: 0.41029556756290464
Energy: 0.07431643835256016
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Energy: 0.07082036336860352
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Energy: 0.06533573525248966
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Energy: 0.046532437264376454
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Energy: 0.0639308524492832
Energy: 0.06653536488501528
Energy: 0.519346442781999
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Energy: 0.4034927512242933
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Energy: 0.37577411351171774
Energy: 0.0589461237029643
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Energy: 0.058946123684275466
Energy: 0.7274743504136859
Energy: 0.07076688140811062
Energy: 0.3676648773926383
Energy: 0.07076688140471266
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Energy: 0.06595132352652906
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Energy: 0.3888014289118155
Energy: 0.07142496765762549
Energy: 0.3127237626533545
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Energy: 0.1032473284592777
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Energy: 0.17151614890769754
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Energy: 0.16908198897680848
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Energy: 0.06291405972744837
Energy: 0.07313346066499761
Energy: 0.07192653037481879
Energy: 0.6699370572519459
Energy: 0.0719265303637754
Energy: 0.3857298673112869
Energy: 0.0607865700665342
Energy: 0.6199486605883066
Energy: 0.060786570063985725
Energy: 0.355246309485574
Energy: 0.07449915468048801
Energy: 0.3656003234168976
Energy: 0.07449915466774563
Energy: 0.5282217288610488
Energy: 0.08995557700311653
Energy: 0.7934041046703904
Energy: 0.08995557700226701
Energy: 0.2865834016519043
Energy: 0.05538075611790915
Energy: 0.3673400082211282
Energy: 0.05538075610516677
Energy: 0.28878606122141387
Energy: 0.06938739009798439
Energy: 0.07609564380594926
Energy: 0.06938739009968337
Energy: 0.5357453040486715
Energy: 0.0584922149162847
Energy: 0.04467550112072563
Energy: 0.0584922149179837
Energy: -21.1850318724998
Energy: 0.06536857655102211
Energy: 0.05778604489110081
Energy: 0.06536857655866755

minimum gb energy = -21.1850318724998 eV
minimum distance =  2.24485319856223 Angstroms
sigma value = 37


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

Energy: -11.768166374100813
Energy: -12.656862861250067
Energy: -12.818931605849262
Energy: -12.824811811810738
Energy: -12.719824047306531
Energy: -12.8577624601115
Energy: -12.599311354795951
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Energy: -12.824393966000988
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Energy: -12.78348413974487
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Energy: -12.70586993730813
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Energy: -12.823621544885052
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Energy: -12.340568456124009
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Energy: -12.556036184171672
Energy: -12.594868522174227
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Energy: -12.85757707501932
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Energy: -12.63367772721528
Energy: -12.737405083341496
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Energy: -12.550344736390146
Energy: -12.882061776651469
Energy: -12.616836603227455
Energy: -12.768034472482878
Energy: -12.729474124496512
Energy: -12.747890594820923
Energy: -12.256576983405852
Energy: -12.776249741726067
Energy: -12.692184108996642
Energy: -12.89817809654843
Energy: -12.290660951023796
Energy: -12.780120887415002
Energy: -12.84198090450773
Energy: -12.88345624989394
Energy: -12.643872280174687
Energy: -12.799076539994946
Energy: -12.921993177554832
Energy: -12.929348273581008

minimum gb energy = -12.929348273581008 eV
minimum distance =  2.33205602152104 Angstroms
sigma value = 25


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

Energy: -15.20571789177762
Energy: -16.496100903296803
Energy: -16.76764321422938
Energy: -16.828807820733466
Energy: -16.070530377213096
Energy: -16.688274780803074
Energy: -16.372141605590084
Energy: -16.74179340725287
Energy: -16.01582230440982
Energy: -11.860936522540701
Energy: -16.402014368802504
Energy: -11.729285737735914
Energy: -15.790353739128005
Energy: -11.660608271519063
Energy: -16.354793932568985
Energy: -11.709851661568358
Energy: -16.200019503885944
Energy: 0.09957378500323757
Energy: -16.01788068195094
Energy: 0.09957378500666135
Energy: -15.883175497248631
Energy: 0.10903991303215049
Energy: -15.88866915419871
Energy: 0.10903991302416169
Energy: -15.999444436383362
Energy: -16.559908440659132
Energy: -15.88482803995381
Energy: -16.541537637370123
Energy: -16.35628220852402
Energy: -11.632008795157974
Energy: -15.636874996121437
Energy: -11.768974313129263
Energy: -16.366750750261396
Energy: -16.701381489673402
Energy: -15.907089085450723
Energy: -16.794918063098997
Energy: -16.446398613372526
Energy: -11.701147809779625
Energy: -16.13584485925278
Energy: -11.764540022587415
Energy: -11.800316760315383
Energy: -11.618529618620878
Energy: -15.343069608862564
Energy: -11.77756118815027
Energy: -16.71290625647761
Energy: -16.839147755852895
Energy: -15.944182498036911
Energy: -16.819735158694957
Energy: -16.696793308884494
Energy: -16.661369249913022
Energy: -15.979033130412011
Energy: -16.8051714397685
Energy: -16.525072719779057
Energy: -11.643649359261317
Energy: -15.117094890799114
Energy: -11.680599866368878
Energy: -16.26055563735033
Energy: -16.776395449439597
Energy: -15.94205175176289
Energy: -16.662933435439985
Energy: -16.37377260698821
Energy: -16.613477629242755
Energy: -15.926575515260861
Energy: -16.763104436398564
Energy: -15.9760790699777
Energy: -11.66032248034358
Energy: -11.21304608508932
Energy: -11.708912728930853
Energy: -16.261627409951434
Energy: -11.657306118928785
Energy: -16.01620897713667
Energy: -11.646656907356855
Energy: -16.052846748870945
Energy: -16.54427749171521
Energy: -15.885712608889605
Energy: -16.535679163003138
Energy: -16.115548532968248
Energy: -16.494333067255962
Energy: -15.816551076209198
Energy: -16.58959258221595
Energy: -15.742276839427792
Energy: -11.70480642883184
Energy: -16.402382072402332
Energy: -11.701915629104086
Energy: -15.799886611524377
Energy: -11.812969587099465
Energy: -16.669006247973464
Energy: -11.644881286932648
Energy: -15.857277437022887
Energy: -16.613437157478824
Energy: -16.282696341314104
Energy: -16.613565844336016
Energy: -15.326574892421004
Energy: -11.745397554636575
Energy: -11.658300539719537
Energy: -11.745397566254002
Energy: -15.89207485098992
Energy: -16.87230312905267
Energy: -16.72699985802995
Energy: -16.693914436423444
Energy: -11.092246834774771
Energy: -11.628806824487782
Energy: -16.650554195320126
Energy: -11.759984138862809

minimum gb energy = -16.87230312905267 eV
minimum distance =  2.28340183940674 Angstroms
sigma value = 41


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

Energy: 1.9165799962347154
Energy: -0.11897889419230666
Energy: -0.057470412292660256
Energy: -0.07554914774462282
Energy: -13.506935414849371
Energy: -0.08663770718923575
Energy: 0.22785590418743448
Energy: -0.08663770728275758
Energy: 0.9067465130676958
Energy: -0.08509597939077489
Energy: 0.2134159796020178
Energy: -0.08509597940948774
Energy: 1.2198880574470037
Energy: -14.518770489973152
Energy: -13.82557255861413
Energy: -14.523869035164653
Energy: 0.9914298831382747
Energy: -0.10086241640179744
Energy: -13.72332397646521
Energy: -0.1008624164054975
Energy: -13.508994416726473
Energy: 0.02881341212896186
Energy: -13.85369381991352
Energy: 0.028813412128026215
Energy: -13.505653265761334
Energy: -0.08729326522716059
Energy: -13.667801959884885
Energy: -0.08729326526365071
Energy: 0.7429400317831162
Energy: -0.09970585245662791
Energy: 0.9411331695095093
Energy: -0.09970585246130614
Energy: -13.860837938204197
Energy: -0.08667733127127165
Energy: 0.9844549978157556
Energy: -0.08667733127314295
Energy: -13.951273808094394
Energy: -0.07030484904582603
Energy: 0.8699717414634552
Energy: -0.07030484898407355
Energy: 0.22748454293223033
Energy: -0.07868139884302162
Energy: -13.35213776867974
Energy: -0.07868139884302162
Energy: 0.32853319633245537
Energy: -14.50753349425236
Energy: 0.9919996919164867
Energy: -14.590441909328224
Energy: 0.19422067115831407
Energy: -0.10550197154998434
Energy: 1.156077377091315
Energy: -0.10550197151821498
Energy: -0.06402831182025041
Energy: -0.09870797066661223
Energy: -19.078298864057558
Energy: -0.09870797064509242
Energy: -0.028457430108336026
Energy: -0.07989268447051417
Energy: -13.626598863379474
Energy: -0.07989268447706367
Energy: -0.06545807845282414
Energy: -0.08569582531147858
Energy: -13.95875823919063
Energy: -0.08569582530867163
Energy: 0.19254290446196246
Energy: -0.10918395928036309
Energy: -14.138574053296454
Energy: -0.10918395928504132
Energy: 0.34198054192203314
Energy: -0.0614582035457147
Energy: -13.54469159819761
Energy: -0.061458203536358266
Energy: 0.21718165585670005
Energy: -0.10341881494450109
Energy: -13.353960240076356
Energy: -0.10341881492578821
Energy: -13.685799081999992
Energy: -14.58672127321334
Energy: -13.512957726864167
Energy: -14.520592983456917
Energy: 1.0513451442256947
Energy: -0.0989533843844848
Energy: -13.60353985390894
Energy: -0.09895338438729173
Energy: -13.68447254790896
Energy: -0.10558150834326244
Energy: -13.692510126001368
Energy: -0.10558150829460897
Energy: 0.989947622881359
Energy: -0.08076371797209066
Energy: -13.49463757912087
Energy: -0.0807637179730263
Energy: 0.9454726938244059
Energy: -14.495214825477738
Energy: -13.75510806998283
Energy: -14.55604278643303
Energy: -13.845438811597525
Energy: -0.08930316040929853
Energy: 0.6870139014060636
Energy: -0.08930316038965001
Energy: -0.21512008089775989
Energy: -0.10155068741351084
Energy: -13.856396972782237
Energy: -0.10155068739479796
Energy: 0.9240258978180115
Energy: -0.10502637011397846
Energy: 0.21456785478366758
Energy: -0.1050263700718745
Energy: -13.588675883364688
Energy: 0.03636081670090226
Energy: 0.31588037874781516
Energy: 0.0363608166999666
Energy: -18.907637702106868
Energy: -0.10588594316023221
Energy: 0.1917491862562469
Energy: -0.10588594320884315
Energy: -13.233638784878547
Energy: -0.10055014833865591
Energy: -0.05311535466294972
Energy: -0.1005501484069579
Energy: -13.653498571713536
Energy: -14.552619600308478
Energy: -0.02979978194430416
Energy: -14.55269038471321
Energy: -18.95717180991163
Energy: -0.07751652157751868
Energy: -0.03811792669226386
Energy: -0.07751652157938996

minimum gb energy = -19.078298864057558 eV
minimum distance =  2.25558198897636 Angstroms
sigma value = 15


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

Energy: 1.3104805822563868
Energy: -0.2977732091727652
Energy: -0.16791513195281924
Energy: -0.21970020849193572
Energy: 1.6913885261893693
Energy: -0.20458236292191628
Energy: 0.14029307430467658
Energy: -0.20458236292112367
Energy: 0.9688794957229354
Energy: -0.22887504958660532
Energy: 0.0717043092418793
Energy: -0.22887504959136104
Energy: 1.4550528591410707
Energy: -0.2503017828605998
Energy: 0.28431647672671817
Energy: -0.2503017828574293
Energy: 1.2811424976886676
Energy: -0.12372695002615355
Energy: 0.6043077057645734
Energy: -0.12372695002932405
Energy: 1.2619385255454478
Energy: 0.060483554584350896
Energy: 0.5320802308504067
Energy: 0.060483554578009927
Energy: 0.7776232427620815
Energy: -0.2504201569149675
Energy: 0.7963277095888164
Energy: -0.25042015691734537
Energy: 1.0376545865684208
Energy: -0.11730523863278042
Energy: 0.6714779360344648
Energy: -0.11730523863278042
Energy: 0.7231804230608824
Energy: 0.03867493864198956
Energy: 1.039065584402727
Energy: 0.038674938641196935
Energy: 0.7215808915132387
Energy: 0.05934628334073182
Energy: -0.21359077158071405
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Energy: 0.5228918434789757
Energy: -0.2749336168479534
Energy: 1.2827760151636687
Energy: -0.27493361684636813
Energy: 0.4100892256576674
Energy: 0.05431656859097153
Energy: -0.2153544384920995
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Energy: 0.5393801440768319
Energy: -0.09880529653658213
Energy: -0.3398552442210199
Energy: -0.0988052965357895
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Energy: -0.2574306571155495
Energy: 1.1237075562671508
Energy: -0.2574306571147569
Energy: 0.17759577062048987
Energy: -0.10019220674464085
Energy: 1.5141794280813212
Energy: -0.10019220674781135
Energy: 0.05397096631977103
Energy: -0.2512354215339121
Energy: -0.482957872911191
Energy: -0.2512354215339121
Energy: -0.1825796406273528
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Energy: -0.25015882663649214
Energy: -0.12525796779986956
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Energy: -0.252360952734914
Energy: 0.06788276677277964
Energy: -0.2523609527333287
Energy: 0.06240694550344068
Energy: -0.2586344585969686
Energy: 1.1235390281001958
Energy: -0.2586344585977612
Energy: 0.2151077905795156
Energy: -0.08525598719375571
Energy: 1.2674886755976087
Energy: -0.0852559871929631
Energy: 0.06328697277766254
Energy: -0.24908831009962928
Energy: -0.4059967687337587
Energy: -0.24908831009566623
Energy: 0.5361541991171774
Energy: -0.22632492152685774
Energy: 1.20184134963469
Energy: -0.2263249215299562
Energy: 0.8014842619846935
Energy: 0.043661340824400256
Energy: 1.2918688506946276
Energy: 0.043661340828363364
Energy: 0.5358975921880839
Energy: -0.23856202729175796
Energy: 0.8869716104965669
Energy: -0.23856202729017273
Energy: -0.2130938838198351
Energy: 0.04173523707765537
Energy: 1.250255806679049
Energy: 0.04173523707844798
Energy: 0.5113915000592166
Energy: 0.029075655275282747
Energy: 1.035556420514103
Energy: 0.029075655276075366
Energy: 1.0209100857143434
Energy: -0.2635662129884151
Energy: 1.0310910133464384
Energy: -0.26356621298682986
Energy: -0.34281949644435966
Energy: -0.27145139517809325
Energy: 1.0298252600215094
Energy: -0.27145139517016703
Energy: 0.9390760567725642
Energy: -0.2843591337077851
Energy: 0.5372846188566275
Energy: -0.2843591338844677
Energy: 1.2705779965686461
Energy: 0.0113024003917333
Energy: 0.5013575801423091
Energy: 0.011302400394903787
Energy: 1.1349029036137575
Energy: -0.23854225811597884
Energy: 0.5364339879052076
Energy: -0.23854225811677146
Energy: -0.34247492788640393
Energy: -0.10060407284735842
Energy: 0.0763194298916402
Energy: -0.10060407285132152
Energy: 1.29400539310619
Energy: -0.2015631026229254
Energy: 0.1450564003987117
Energy: -0.20156310264194832
Energy: 1.658555203517569
Energy: -0.23486108413193632
Energy: -0.18412358149658928
Energy: -0.2348610841311437
Energy: -0.3131442951102973
Energy: -0.2580886399959051
Energy: -0.17517169069841895
Energy: -0.2580886399966977
Energy: -0.3009934835085779
Energy: -0.24835207230267553
Energy: -0.14569021707504115
Energy: -0.24835207230267553

minimum gb energy = -0.482957872911191 eV
minimum distance =  2.24780405623084 Angstroms
sigma value = 85


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

Energy: -11.956204319712455
Energy: -9.715677931184564
Energy: -9.84137715679276
Energy: -9.85683307132499
Energy: -12.484660022879863
Energy: -9.874259648310645
Energy: -9.569131560776665
Energy: -9.833188452110456
Energy: -8.409407735784939
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Energy: -8.595312149187473
Energy: -9.815451133112527
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Energy: -9.294240302541683
Energy: 0.10276789243550914
Energy: -8.64158663586123
Energy: 0.08099648375263438
Energy: -13.357071473195374
Energy: 0.08099648375263438
Energy: -8.747930669534401
Energy: 0.07643870944119653
Energy: -12.952322583226461
Energy: 0.07643870944119653
Energy: -12.627749364397072
Energy: 0.09456839913232512
Energy: -9.320816868748306
Energy: 0.09456839913232512
Energy: -8.759903955490032
Energy: 0.08813766946240928
Energy: -12.903932768872998
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Energy: -8.78506923855993
Energy: 0.09774452682857528
Energy: -12.758725090521718
Energy: 0.09774452682788784
Energy: -13.007896830770376
Energy: 0.07571993105057302
Energy: -8.95588938736907
Energy: 0.07571993105126046
Energy: -9.08889278379392
Energy: 0.09841065832665122
Energy: -12.62424567444283
Energy: 0.09841065832871355
Energy: -9.12715855245257
Energy: 0.10218673523428906
Energy: -8.626602720176491
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Energy: -8.764983363430542
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Energy: 0.10021674398795942
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Energy: -12.8896062869843
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Energy: 0.07850326074437868
Energy: -9.100141604947112
Energy: 0.07850326074506613
Energy: -8.898074442429277
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Energy: -12.863926324127224
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Energy: -9.073074586775977
Energy: 0.10067617184169858
Energy: -12.732378138532983
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Energy: -9.12940027880667
Energy: 0.10148390322841071
Energy: -8.869158722348613
Energy: -9.81807973844871
Energy: -9.220092119258902
Energy: -9.804062491658803
Energy: -12.7071561112549
Energy: 0.10473172708803771
Energy: -9.289999038285071
Energy: 0.10473172708803771
Energy: -8.592288341997389
Energy: -9.788678493660306
Energy: -13.249465759786517
Energy: -9.815224608243547
Energy: -12.24536113223051
Energy: -9.826431426468165
Energy: -9.557514648970615
Energy: -9.804386317605816
Energy: -12.556793508962555
Energy: -9.83417158538888
Energy: -9.743641562898981
Energy: -9.868024651331007
Energy: -12.266287063732996
Energy: -9.876581938106682
Energy: -13.627109718791683
Energy: -9.857783582836529
Energy: -9.475435167358706
Energy: -9.835371560136833
Energy: -9.87528146363928
Energy: -9.888895811362053
Energy: -12.591905395650787
Energy: -9.779434235878487
Energy: -9.890670604949763
Energy: -9.874425828495076
Energy: -8.23401089086588
Energy: -9.848540988537852
Energy: -9.850848104399013
Energy: -9.9306910455477

minimum gb energy = -13.627109718791683 eV
minimum distance =  2.28377438282707 Angstroms
sigma value = 113


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

Energy: 0.020168641760990445
Energy: -11.717062016467079
Energy: -10.434133249687623
Energy: 0.24617975672456427
Energy: -11.09903663912656
Energy: 0.21969433710258107
Energy: 1.4927302830117044
Energy: 0.2196941848228302
Energy: -11.433597073354548
Energy: 0.2189677795726496
Energy: 1.4976359359111868
Energy: 0.21896777956801083
Energy: 0.024687399304322327
Energy: 0.22005939252846737
Energy: -10.53184142802582
Energy: 0.22005939251299494
Energy: -10.552895457302792
Energy: 0.21892625131305124
Energy: 1.498191375017899
Energy: 0.21892525004902533
Energy: -0.055780842796934814
Energy: 0.2193068210346176
Energy: 1.4963002578634914
Energy: 0.2193068210356452

minimum gb energy = -11.717062016467079 eV
minimum distance =  2.31969456962879 Angstroms
sigma value = 1