Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ni__MO_322509103239_004
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.56183634698391
cohesive_energy=3.9401847031687383
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7667682396108198e-19, 2.49494149799748e-19, 3.0509288335281598e-19, 3.5019255342328197e-19, 3.89101412979972e-19, 4.22463537029754e-19, 4.5138122309682e-19, 4.76609096375784e-19, 4.986918969222059e-19, 5.1883766591812195e-19, 5.369454662355899e-19, 5.52925575983106e-19, 5.66984675946456e-19, 5.79292596848844e-19, 5.89990330234062e-19, 5.99201243702928e-19, 6.07029478736652e-19, 6.1375381406955e-19, 6.1931336698953e-19, 6.23736976676004e-19, 6.27088730194332e-19, 6.2942310155006995e-19, 6.30791360395506e-19, 6.31236765499758e-19, 6.307561125095579e-19, 6.29193990291408e-19, 6.26353331119326e-19, 6.2305444942992e-19, 6.1825593041109e-19, 6.114707123661e-19, 6.02303057666352e-19, 5.90277119851548e-19, 5.7480490009701e-19, 5.55159010210902e-19, 5.30583222821976e-19, 4.99898335927608e-19, 4.6161112090491e-19, 4.1390631162756e-19, 3.5443671932674794e-19, 2.819029787523e-19, 1.9088813070466199e-19, 7.606317548148659e-20, -6.86944447063938e-20, -2.53850468067594e-19, -4.9312593529569e-19, -8.062921867072319e-19, -1.2232169991132479e-18, -1.78868601596394e-18, -2.5728072824098798e-18, -3.70253407057596e-18, -5.3946889443414e-18, -8.068144962899159e-18, -1.2613423942959118e-17, -2.12539945736538e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01770888872787348
Energy: 0.024471693194941618
Energy: 0.19546967743240584
Energy: 0.19433139184074996
Energy: 0.023733363372131444
Energy: 0.019743215153534013
Energy: 0.19406309936376626
Energy: 0.19686931174594038
Energy: 0.1934705933804035
Energy: 0.023033052171818235
Energy: 0.01880781842261362
Energy: 0.203001343517123
Energy: 0.19532098825009284
Energy: 0.19515636895054314
Energy: 0.19642122624755115
Energy: 0.19084189173764257
Energy: 0.20243693803116508
Energy: 0.19491354654498275
Energy: 0.1963080311856974
Energy: 0.19503703409425038
Energy: 0.20380194497877416
Energy: 0.023813333212531297
Energy: 0.01824623613467875
Energy: 0.1967552592300507
Energy: 0.19402770011496348
Energy: 0.2011040082574635
Energy: 0.02237333954508846
Energy: 0.018360084539001082
Energy: 0.19129824417858382
Energy: 0.19575972997458727
Energy: 0.19297456968625298
Energy: 0.02022548949094801
Energy: 0.02001616478899501
Energy: 0.20147916386389064
Energy: 0.1920752952685783
Energy: 0.19514101045343668
Energy: 0.02113282940671579
Energy: 0.01864713994879438
Energy: 0.19663762437327728
Energy: 0.19119063525058708
Energy: 0.19251903961956446
Energy: 0.19319040868628484
Energy: 0.19722917858911349
Energy: 0.020823364040686927
Energy: 0.018782120858075402
Energy: 0.19127414444314647
Energy: 0.19438815979429036
Energy: 0.1958739814166919
Energy: 0.022121647909937037
Energy: 0.20062480146794012
Energy: 0.19900882305334588
Energy: 0.19205182478263225
Energy: 0.19380976397579963
Energy: 0.01935093681003153
Energy: 0.018563429066161444
Energy: 0.19730764972118897
Energy: 0.19185673996778888
Energy: 0.19487870920349915
Energy: 0.0202142015909123
Energy: 0.018655901255649882
Energy: 0.01870785405483736
Energy: 0.1988948515409199
Energy: 0.19229442679583875
Energy: 0.19694285075186488
Energy: 0.19759607731994094
Energy: 0.018746984261019284
Energy: 0.2006596646541567
Energy: 0.1919391143439803
Energy: 0.19815398612950416
Energy: 0.19564411766068132

minimum gb energy = 0.01770888872787348 eV
minimum distance =  2.48116335964285 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.6429247462174459
Energy: 1.5423048376319324
Energy: 1.485712145385704
Energy: 1.4146325004990896
Energy: 1.4560324992785492
Energy: 1.45164544321181
Energy: 1.41143186707985
Energy: 1.4895229379012975
Energy: 1.4872264679425395
Energy: 1.5414027349728845
Energy: 1.192083858109468
Energy: 1.5679868788723406
Energy: 1.4902762446112379
Energy: 1.4155217667848192
Energy: 1.23671135868891
Energy: 1.2350420662351818
Energy: 1.3801265864302732
Energy: 1.5757433872394173
Energy: 1.2577511696181811
Energy: 1.249313406501466
Energy: 1.4030680100618302
Energy: 1.607726381530466
Energy: 1.3669552375002274
Energy: 1.2310476584472232
Energy: 1.236136416458583
Energy: 1.2312462643628992
Energy: 1.604785707016736
Energy: 1.3685753115971175
Energy: 1.2311254774626486
Energy: 1.23802625351834
Energy: 1.2331745364829307
Energy: 1.573935336753268
Energy: 1.3681682366120709
Energy: 1.2313981217352834
Energy: 1.2362214434702254
Energy: 1.2315640059094035
Energy: 1.5678865820976668
Energy: 1.3672659146409856
Energy: 1.3751773333501254
Energy: 1.2387355756784835
Energy: 1.7948077543321943
Energy: 1.5486425599675144
Energy: 1.7383221436681455
Energy: 1.5548857854982594
Energy: 1.37265943284957
Energy: 1.6854535779882651
Energy: 1.5479634045489326
Energy: 1.485221082123833
Energy: 1.5062944022083713
Energy: 1.426882595824325
Energy: 1.602993027609668
Energy: 1.5450779361466154
Energy: 1.383492420836676
Energy: 1.499414398036001
Energy: 1.5695148590519499
Energy: 1.6028810004893963
Energy: 1.6052429150060106
Energy: 1.6146023479459528
Energy: 1.50622170910317
Energy: 1.5791597994975926
Energy: 1.7010212921938823
Energy: 1.5690143062606157
Energy: 1.5769105153085083
Energy: 1.328453722908314
Energy: 1.5805897311190014
Energy: 1.5429317763421078
Energy: 1.5644884600037783
Energy: 1.5071300132663086
Energy: 1.5019907240012473
Energy: 1.5678982284628635
Energy: 1.7052055823987309
Energy: 1.5469429396515424
Energy: 1.4595611641571582
Energy: 1.5895874422847667
Energy: 1.547716527210068
Energy: 1.5577009272060478
Energy: 1.6911934623032379
Energy: 1.5863361691564488
Energy: 1.462237843143586
Energy: 1.7033474621160045
Energy: 1.6990714626655632
Energy: 1.393095222262276
Energy: 1.3378358657119096
Energy: 1.5586915216104795
Energy: 1.7020221463081633
Energy: 1.5534468448638505
Energy: 1.1572051314948721
Energy: 1.3764969571417773
Energy: 1.2592315743837674
Energy: 1.6915112639753338
Energy: 1.60960476575624
Energy: 1.3724028567360809
Energy: 1.3371319773111048
Energy: 1.3786122089917974
Energy: 1.3651525509089368
Energy: 1.2935459151436681
Energy: 1.5101842730446127
Energy: 1.5036545402495292
Energy: 1.4556086497686571
Energy: 1.3674068681488438
Energy: 1.1552035022988518
Energy: 1.4982279623769015
Energy: 1.3684367520687704
Energy: 1.4306370730501574
Energy: 1.3695664673915526
Energy: 1.259852915166146
Energy: 1.5057835835431355
Energy: 1.5464092976846013
Energy: 1.369961544837127
Energy: 1.3671630043849736
Energy: 1.3829243931519348
Energy: 1.1575256383778556
Energy: 1.3828040472147742
Energy: 1.5514387628823563
Energy: 1.656797225410164
Energy: 1.3911026073704884
Energy: 1.3364431368231395
Energy: 1.4814946753450078
Energy: 1.5363650723120867
Energy: 1.7407852032686384
Energy: 1.3827057179757627
Energy: 1.3431145314608988
Energy: 1.38299694169033
Energy: 1.5439484111635031
Energy: 1.604007901421769
Energy: 1.4339708377318279
Energy: 1.1571172458470271
Energy: 1.4335257824384589
Energy: 1.5508840824268195
Energy: 1.603392956221252
Energy: 1.1559986473309842
Energy: 1.157638091283747
Energy: 1.6283070565214632
Energy: 1.6288310781150814
Energy: 1.7002561572826733
Energy: 1.4750509347020262
Energy: 1.3304711529027606
Energy: 1.6265527539688587
Energy: 1.511951231494888
Energy: 1.5105685254585979
Energy: 1.5024634200186309
Energy: 1.513849948320817
Energy: 1.626174609689346
Energy: 1.6261024978002714
Energy: 1.5861896132956175
Energy: 1.582576345874196
Energy: 1.5821980904327804
Energy: 1.627748949222478
Energy: 1.5113135566172604
Energy: 1.5072198303172326
Energy: 1.1559928041857888
Energy: 1.4820408552002364
Energy: 1.6254886858034716
Energy: 1.6259284372414982
Energy: 1.1578315067735778
Energy: 1.3420716885949628
Energy: 1.7553631934549085
Energy: 1.6313392575500105
Energy: 1.5102608245559284
Energy: 1.1569768948063006
Energy: 1.1876020094693336
Energy: 1.4385465494988832
Energy: 1.3660623391284474
Energy: 1.1865737868664077
Energy: 1.155345303815978
Energy: 1.4417737582323893
Energy: 1.4362062133978588
Energy: 1.3673168120841637
Energy: 1.1869523186415751
Energy: 1.1560000577528784
Energy: 1.1874977712538428
Energy: 1.366935971864146
Energy: 1.3663372979643615
Energy: 1.3232323274174298
Energy: 1.388320504689869
Energy: 1.2185660742816062
Energy: 1.3672369795088835
Energy: 1.3665513420136242
Energy: 1.1863473519327568
Energy: 1.3923564895069327
Energy: 1.4144035367921617
Energy: 1.6134028616900753
Energy: 1.5329657992693462
Energy: 1.505605897593802
Energy: 1.4325679465706391
Energy: 1.825543176906748
Energy: 1.5373941265827402
Energy: 1.736772902853923
Energy: 1.49975555467889
Energy: 1.156599443021794
Energy: 1.603329924198328
Energy: 1.602749420934931
Energy: 1.6019855914002858
Energy: 1.5060963937216478
Energy: 1.735558718403367
Energy: 1.6043318146252536
Energy: 1.604100471896322
Energy: 1.6840852385195861
Energy: 1.5575474746181748
Energy: 1.4834806053721818
Energy: 1.7040661891506668
Energy: 1.5681169232357137
Energy: 1.6935557566898347
Energy: 1.50393931531235
Energy: 1.344660023198928
Energy: 1.5453331821797824
Energy: 1.662108853114676
Energy: 1.5155630208696789
Energy: 1.5044994420155446
Energy: 1.5496909958981357
Energy: 1.7018436423780403
Energy: 1.6978975313710127
Energy: 1.4563853677128749
Energy: 1.3289073596437013
Energy: 1.6927867902863039
Energy: 1.557315594085148
Energy: 1.5548677972276577
Energy: 1.418111320384592
Energy: 1.5902570925987325
Energy: 1.6990517001019156
Energy: 1.7044571705931615
Energy: 1.6973468882873426
Energy: 1.3391526633327975
Energy: 1.4221107438151124
Energy: 1.7255641742326928
Energy: 1.5539164053421755
Energy: 1.5542362302627497
Energy: 1.339130541920555
Energy: 1.5680238286998398
Energy: 1.5495774635189625
Energy: 1.4945732793611852
Energy: 1.3946225827808179
Energy: 1.5030418540292516
Energy: 1.4920624744832618
Energy: 1.3657397373106708
Energy: 1.3817250913712136
Energy: 1.3749776901389699
Energy: 1.330515183319388
Energy: 1.1924818936794912
Energy: 1.3675904282927493
Energy: 1.2617332034804727
Energy: 1.371876900726291
Energy: 1.5488665471412846
Energy: 1.3821189110791532
Energy: 1.3693692449321875
Energy: 1.4827176411443226
Energy: 1.5020482646314406
Energy: 1.498319289480474
Energy: 1.3885634198643044
Energy: 1.3667626055477438
Energy: 1.4274934433354725
Energy: 1.370326699871128
Energy: 1.3400100604748788
Energy: 1.3895529956894885
Energy: 1.5657969632457496
Energy: 1.2335475066912691
Energy: 1.235711326215004
Energy: 1.5087460263974
Energy: 1.7008764242071437
Energy: 1.5681318412021823
Energy: 1.5466945190354315
Energy: 1.5746119217174603
Energy: 1.4806959475474692
Energy: 1.4711613721653023
Energy: 1.6041385959215093
Energy: 1.4268740431894205
Energy: 1.2341514795885233
Energy: 1.426894290124078
Energy: 1.600527217698507
Energy: 1.603353089565267
Energy: 1.6107115594733001
Energy: 1.44078487244244
Energy: 1.4854480187889432
Energy: 1.4882158518616584
Energy: 1.5739527167200098
Energy: 1.234952407545431
Energy: 1.2354840014958122
Energy: 1.488641773026274
Energy: 1.4163910760189145
Energy: 1.5655832411153028
Energy: 1.54283074442791
Energy: 1.411115597101597
Energy: 1.5741604987431672
Energy: 1.4143615104232268
Energy: 1.4554147199947896
Energy: 1.4524797180379723
Energy: 1.4117474417224851
Energy: 1.4890045051036225
Energy: 1.4157906318865354
Energy: 1.5452650051634231

minimum gb energy = 1.1552035022988518 eV
minimum distance =  2.16706546787954 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 4.037317393792634
Energy: 1.7935050375188863
Energy: 1.775785587797605
Energy: 1.753184374976258
Energy: 1.7402683936973213
Energy: 1.7375077508693526
Energy: 1.7631595161820366
Energy: 1.6088299735439646
Energy: 1.7760958611367312
Energy: 1.767282650309058
Energy: 1.5857967550922836
Energy: 1.9280089718266136
Energy: 1.6082958446063953
Energy: 1.5652947812793634
Energy: 1.6750356816675878
Energy: 1.55879455346144
Energy: 1.8173172338481876
Energy: 1.5443903766660307
Energy: 1.571348972337317
Energy: 1.6185738713773166
Energy: 1.6642928482692079
Energy: 1.9532984866560468
Energy: 1.8169033231715508
Energy: 1.6880350613566806
Energy: 1.5482558890762754
Energy: 1.5583232616969729
Energy: 1.9532680442154098
Energy: 1.8170964402586842
Energy: 1.6443651171760467
Energy: 1.4537558643655626
Energy: 1.620633982919379
Energy: 1.6621597464732878
Energy: 1.682050244226758
Energy: 1.5578681854033185
Energy: 1.4559291748996834
Energy: 1.610143864255523
Energy: 1.5601511538790207
Energy: 1.5126175282501626
Energy: 1.5908448559332993
Energy: 1.6089096200023159
Energy: 1.8119930589050897
Energy: 1.6756332164038388
Energy: 1.8253851703487591
Energy: 1.9485982585734531
Energy: 1.804857905025945
Energy: 1.7947191433898066
Energy: 1.5564932304003014
Energy: 1.757658986628305
Energy: 1.8012106737484728
Energy: 1.814982566308029
Energy: 1.8198362036091116
Energy: 1.78765185901634
Energy: 1.824480564762027
Energy: 1.6138382637410105
Energy: 1.7990265604310844
Energy: 1.8002167751464795
Energy: 1.8422814743231006
Energy: 1.8590941064127071
Energy: 1.7037820056337953
Energy: 1.8693776636796828
Energy: 1.6511139208211265
Energy: 1.7160132932598426
Energy: 1.8256201496415063
Energy: 1.6593649795528667
Energy: 1.6349545232552507
Energy: 1.6590110443500585
Energy: 1.669995081590963
Energy: 1.8164239452299458
Energy: 1.6559334435367543
Energy: 1.5803351495341573
Energy: 1.5541719634411122
Energy: 1.7209331903148943
Energy: 1.9510712249628899
Energy: 1.9306534162153157
Energy: 1.672882924860741
Energy: 1.5308435843656472
Energy: 1.6470698524012637
Energy: 1.951522631548167
Energy: 1.9305216797316396
Energy: 1.6562217244567783
Energy: 1.4459337800095409
Energy: 1.6710806298572802
Energy: 1.693521005943334
Energy: 1.88304101761363
Energy: 1.6151401780172285
Energy: 1.5992982267862879
Energy: 1.6200086630933008
Energy: 1.5504339112469525
Energy: 1.615315327130168
Energy: 1.5593165995543097
Energy: 1.836084844457911
Energy: 1.9313372392379293
Energy: 1.640711887896973
Energy: 1.8607631907785787
Energy: 1.905603365219971
Energy: 1.8324086804678876
Energy: 1.8538421275379497
Energy: 1.5607589887926663
Energy: 1.8325286695229086
Energy: 1.891689956176445
Energy: 1.9104860266636885
Energy: 1.797620087683431
Energy: 1.824775110238915
Energy: 1.8128376093327683
Energy: 1.6235941830012748
Energy: 1.8467029120031984
Energy: 1.837197028846834
Energy: 1.8304984414811596
Energy: 1.8615685490017784
Energy: 1.9692533203769786
Energy: 1.6121218337303405
Energy: 1.656414498044578
Energy: 1.6438822621812146
Energy: 1.8751955804870502
Energy: 1.6111754370026943
Energy: 1.7110588655087962
Energy: 1.5495517600702684
Energy: 1.6726005688656138
Energy: 1.8461671936416406
Energy: 1.8063464173982844
Energy: 1.6079706720244342
Energy: 1.5994250156650183
Energy: 1.6848577369809672
Energy: 1.867138146266126
Energy: 1.7356753879258666
Energy: 1.6561997135497206
Energy: 1.673665139863484
Energy: 1.8233345698607815
Energy: 1.8630167705367724
Energy: 1.7910485162518053
Energy: 1.646957811353727
Energy: 1.6716055027920718
Energy: 1.608334789085005
Energy: 1.5997115618305333
Energy: 1.7954789399969335
Energy: 1.6812701404673254
Energy: 1.7015076275906702
Energy: 1.6600983519470474
Energy: 1.765365723128223
Energy: 1.8464841312035745
Energy: 1.8767196217772422
Energy: 1.80232789419752
Energy: 1.8181515379050055
Energy: 1.8140813375200935
Energy: 1.771596360388101
Energy: 1.8936770052098957
Energy: 1.7964568852124736
Energy: 1.7607514333574525
Energy: 1.7593177375739848
Energy: 1.8237636431070214
Energy: 1.8899348106920382
Energy: 1.8264262791202948
Energy: 1.578359547441727
Energy: 1.838692230417633
Energy: 1.5670358866267724
Energy: 1.7999640538823565
Energy: 1.8063633709182267
Energy: 1.528401601425478
Energy: 1.7653632836676263
Energy: 1.6344367353405356
Energy: 1.9023653887888863
Energy: 1.6146732994340727
Energy: 1.5995419318287685
Energy: 1.6518311742205751
Energy: 1.4387842152299772
Energy: 1.7170457675019861
Energy: 1.62515731281182
Energy: 1.6035522862729639
Energy: 1.6863189076336744
Energy: 1.5066959194917162
Energy: 1.6487761627813875
Energy: 1.7380839572415185
Energy: 1.7249406061950872
Energy: 1.6537338631489902
Energy: 1.556332004386742
Energy: 1.6435881227331952
Energy: 1.7676070457633413
Energy: 1.6886351997058386
Energy: 1.7945321030750703
Energy: 1.641776125160787
Energy: 1.7958315450395204
Energy: 1.6196638136343418
Energy: 1.646313716001502
Energy: 1.817317028436675
Energy: 1.5594330934719087
Energy: 1.806327070579341
Energy: 1.610158550286428
Energy: 1.6712678879966085
Energy: 1.8492629289844325
Energy: 1.6146213814545685
Energy: 1.8231936872721428
Energy: 1.8736620978750784
Energy: 1.7563579956241795
Energy: 1.7436143028654472
Energy: 1.7946506080742215
Energy: 1.8356922686974149
Energy: 1.852857038369685
Energy: 1.8213482371046783
Energy: 1.8231427672920697
Energy: 1.8005766709236208
Energy: 1.6142463898806896
Energy: 1.7788837639623165
Energy: 1.585547113775556
Energy: 1.6185133367526772
Energy: 1.777917302397985
Energy: 1.565802342967372
Energy: 1.876054757315579
Energy: 1.5933184160490297
Energy: 1.5809441231020596
Energy: 1.8191911782310524
Energy: 1.4424116604139605
Energy: 1.657401309590804
Energy: 1.6198817699647348
Energy: 1.6247432125219208
Energy: 1.8051287610994822
Energy: 1.4425631741304743
Energy: 1.6755094917048972
Energy: 1.6436742134257092
Energy: 1.625547083276221
Energy: 1.6671107948283757
Energy: 1.596724863984169
Energy: 1.7322689330477257
Energy: 1.738108183722616
Energy: 1.7670763390164053
Energy: 1.712608731162681
Energy: 1.6897474063460525
Energy: 1.7937125525490045
Energy: 1.689303410387256
Energy: 1.7377569683137581
Energy: 1.651968026856855
Energy: 1.6504716443709306
Energy: 1.860871661205251
Energy: 1.6496911736184012
Energy: 1.63364614947046
Energy: 1.8912606490494075
Energy: 1.6218143956107298
Energy: 1.81057262482165
Energy: 1.649152258290986
Energy: 1.6379746547035146
Energy: 1.9121733320289147
Energy: 1.8451596444004303
Energy: 1.8219967770035503
Energy: 1.8087755613208563
Energy: 1.7909365362129253
Energy: 1.7997391840816315
Energy: 1.8198340120571397
Energy: 1.8400191157223222
Energy: 1.8076681505457102
Energy: 1.789523390799292
Energy: 1.822793860922897
Energy: 1.8187782457389003
Energy: 1.5978636354555578
Energy: 1.8247781984295437
Energy: 1.600347201410087
Energy: 1.64574575980104
Energy: 1.8276795173601996
Energy: 1.593038707979062
Energy: 1.649653664039065
Energy: 1.6217355694759348
Energy: 1.6000686773944317
Energy: 1.5964544213966345
Energy: 1.5678309280761602
Energy: 1.6552372109217461
Energy: 1.6320926387261994
Energy: 1.612701752580869
Energy: 1.6491081068298603
Energy: 1.5680520611536395
Energy: 1.70560862628414
Energy: 1.6340284462175347
Energy: 1.5932109389593925
Energy: 1.7250963521224363
Energy: 1.959314153086292
Energy: 1.5456535186455564
Energy: 1.673653302592183
Energy: 1.6967191656902285
Energy: 1.8876362019144866
Energy: 1.917357557996129
Energy: 1.5954609347230393
Energy: 1.6448520288928346
Energy: 1.663631788383952
Energy: 1.8409910416335051
Energy: 1.834789910217251
Energy: 1.8660099535379429
Energy: 1.5692935342560435
Energy: 1.886530306896096
Energy: 1.6594971934128215
Energy: 1.7739630561034871
Energy: 1.9626340179990882
Energy: 1.5654857129089768
Energy: 1.8518763863016114
Energy: 1.804117310489131
Energy: 1.8610317927723234
Energy: 1.8605025982848196
Energy: 1.7997547923001593
Energy: 1.7358810164498522
Energy: 1.7646909081829365
Energy: 1.8357227129275968
Energy: 1.6709704842749928
Energy: 1.8620113540417609
Energy: 1.77820038939961
Energy: 1.6478669225509326
Energy: 1.8538983232687127
Energy: 1.5664860601552675
Energy: 1.7293466040486412
Energy: 1.6099850723301066
Energy: 1.6371314956902443
Energy: 1.8533498768107195
Energy: 1.7115660745860148
Energy: 1.6361827504310582
Energy: 1.6354758840305037
Energy: 1.6477951225923875
Energy: 1.9531739016978753
Energy: 1.8171663646025198
Energy: 1.6783964568169518
Energy: 1.5925615550921228
Energy: 1.7497387367631883
Energy: 1.953208274210011
Energy: 1.8170042556969104
Energy: 1.6344724620438267
Energy: 1.454324059341643
Energy: 1.6100458052002793
Energy: 1.6594742658495694
Energy: 1.6303959339568765
Energy: 1.710521334642109
Energy: 1.445062584892057
Energy: 1.6857185964790975
Energy: 1.6091556245039675
Energy: 1.6296678596455056
Energy: 1.6787791687809097
Energy: 1.5609060529933538
Energy: 1.854037032332625
Energy: 1.5685663320980279
Energy: 1.7886686464145445
Energy: 1.8791514812048742
Energy: 1.8590830118476565
Energy: 1.8005618448250862
Energy: 1.6583268628598065
Energy: 1.7948621172012404
Energy: 1.8946315989214249
Energy: 1.8093595624977028
Energy: 1.8399732074861077
Energy: 1.7769923371515441
Energy: 1.7917112751653161
Energy: 1.6430665264654707
Energy: 1.8882531063468035
Energy: 1.8188104559486238
Energy: 1.7967144920482134
Energy: 1.8125512282487486
Energy: 1.6695055979065627
Energy: 1.821217054096458
Energy: 1.6499141092268308
Energy: 1.6557255591734272
Energy: 1.859471837798333
Energy: 1.6187445736790844
Energy: 1.5887561544361855
Energy: 1.598288899558968
Energy: 1.7310285442741555
Energy: 1.8174818407740219
Energy: 1.6050758723302552
Energy: 1.648500282199863
Energy: 1.554586620814065
Energy: 1.643588116055268
Energy: 1.7686138770837534
Energy: 1.9303417894410082
Energy: 1.784944037469057
Energy: 1.4562084867370257
Energy: 1.78633641182826
Energy: 1.951137836640338
Energy: 1.930742568039745
Energy: 1.6051112103291774
Energy: 1.4543034164993196
Energy: 1.6919350683114849
Energy: 1.6749973610780964
Energy: 1.8743665197678423
Energy: 1.593378627858573
Energy: 1.585463392677502
Energy: 1.7034305843615816
Energy: 1.5562562538070368
Energy: 1.6401302265600841
Energy: 1.6408773655039497
Energy: 1.8408037530243098
Energy: 1.8534808540355074
Energy: 1.5842689391135003
Energy: 1.7974795750817893
Energy: 1.9186828068875552
Energy: 1.8026313710127795
Energy: 1.8307846745577347
Energy: 1.608488366463376
Energy: 1.829454993592053
Energy: 1.7784444228705112
Energy: 1.8235753705277113
Energy: 1.7882649125915773
Energy: 1.9136426645520102
Energy: 1.8392775404952395
Energy: 1.6521508788521317
Energy: 1.8047396260353712
Energy: 1.8010914438662038
Energy: 1.8095574459829
Energy: 1.8130514654110395
Energy: 1.8988549182148673
Energy: 1.5874117442546891
Energy: 1.6200441245024724
Energy: 1.6741730972121622
Energy: 1.9028862032397775
Energy: 1.7738123514527513
Energy: 1.6057370970648717
Energy: 1.5560397209323085
Energy: 1.7167139089645567
Energy: 1.8171605969613545
Energy: 1.6855394081208808
Energy: 1.6206294499905536
Energy: 1.6104962567719379
Energy: 1.7053165819155707
Energy: 1.866534689128559
Energy: 1.6708617296801855
Energy: 1.5843126724689074
Energy: 1.6738337006693569
Energy: 1.6593999298542639
Energy: 1.8111659798364776
Energy: 1.6844142568359262
Energy: 1.6765585613132141
Energy: 1.6988862438616967
Energy: 1.6529425080423852
Energy: 1.630391886864942
Energy: 1.8182022525748784
Energy: 1.5358656037601794
Energy: 1.6201713821692498
Energy: 1.6355188554836209
Energy: 1.5994723353247338
Energy: 1.8161404489671398
Energy: 1.8651499544531618
Energy: 1.845475071445138
Energy: 1.7633901390990518
Energy: 1.759524161053861
Energy: 1.779938785885037
Energy: 1.8485846029649182
Energy: 1.786412039374878
Energy: 1.8335408794465091
Energy: 1.8104656961750303
Energy: 1.7876263315227185
Energy: 1.8377574273570845
Energy: 1.8256646798274507
Energy: 1.5296241187507984
Energy: 1.7617446296332702
Energy: 1.6087857440627111
Energy: 1.8189588762986932
Energy: 1.7937869160796853
Energy: 1.577413206450139
Energy: 1.8082180762399516
Energy: 1.5982582855073983
Energy: 1.6655496758225297
Energy: 1.6780539782394173
Energy: 1.5902531200498498
Energy: 1.6624506111736375
Energy: 1.4386059386344283
Energy: 1.7814148301325992
Energy: 1.653435036752664
Energy: 1.5892985309651873
Energy: 1.5897482374353131
Energy: 1.4395874745865116
Energy: 1.7197738093854793
Energy: 1.7374798545320036
Energy: 1.6887578081935988
Energy: 1.7779041717402664
Energy: 1.5748990363400104
Energy: 1.7936465725344295
Energy: 1.767529410854209
Energy: 1.6886607645816216
Energy: 1.7211035581700884
Energy: 1.6419344857098932
Energy: 1.825798042744808
Energy: 1.7931166745152949
Energy: 1.6623403829247791
Energy: 1.7879828187562685
Energy: 1.5507469828164389
Energy: 1.8067963602414336
Energy: 1.5699394944429292
Energy: 1.5882288653383758
Energy: 1.8313740483338543
Energy: 1.5576628812483129
Energy: 1.882935439184181
Energy: 1.8942939702808905
Energy: 1.849619767307828
Energy: 1.8161735091202484
Energy: 1.8258480070289018
Energy: 1.8458693692277572
Energy: 1.8190213281472902
Energy: 1.7447158887377658
Energy: 1.799927701722635
Energy: 1.800484885559898
Energy: 1.608345362054003
Energy: 1.82438463241124
Energy: 1.643840237241336
Energy: 1.5815700678667794
Energy: 1.8259867646903003
Energy: 1.623324000552688
Energy: 1.7962543619703821
Energy: 1.653168233182409
Energy: 1.6594374968150505
Energy: 1.8533592414927198
Energy: 1.4417322580474274
Energy: 1.6981299920104624
Energy: 1.7128747644539368
Energy: 1.613067903840273
Energy: 1.7200445614262367
Energy: 1.442238210878905
Energy: 1.6574996626229808
Energy: 1.6447610355682754
Energy: 1.5348937902098836
Energy: 1.6485312582565175
Energy: 1.5984097517188234
Energy: 1.7120856630286712
Energy: 1.6891176192880872
Energy: 1.7679739920531563
Energy: 1.7475321685234315
Energy: 1.6884264147895054
Energy: 1.6922553145373473
Energy: 1.6890946019904909
Energy: 1.6902617358974086
Energy: 1.6318134033293765
Energy: 1.6501757839396658
Energy: 1.7916320743615195
Energy: 1.6065457350841978
Energy: 1.7220297087220509
Energy: 1.8580544102901249
Energy: 1.6330621276478499
Energy: 1.9096447522200046
Energy: 1.5606873273347297
Energy: 1.6532792169650667
Energy: 1.8758900526364388
Energy: 1.8239314657012322
Energy: 1.835674215326045
Energy: 1.879004410821818
Energy: 1.8379880015962042
Energy: 1.8081287312065049
Energy: 1.7744117996690716
Energy: 1.840501046840263
Energy: 1.8077854442202164
Energy: 1.7895336908782864
Energy: 1.8328838428937348
Energy: 1.7703453142338121
Energy: 1.6670375866592273
Energy: 1.7583683428982324
Energy: 1.592564644626601
Energy: 1.5853108105925158
Energy: 1.8226778935935366
Energy: 1.5231384211649461
Energy: 1.609618053965188
Energy: 1.6356532826675554
Energy: 1.628529981739888
Energy: 1.682687373733624
Energy: 1.5679103314772838
Energy: 1.5339373415240702
Energy: 1.5100243729407639
Energy: 1.5830690411170283
Energy: 1.6854108224125381
Energy: 1.6075199003502623
Energy: 1.6124086569600409
Energy: 1.7082883010313545
Energy: 1.646784126710448
Energy: 1.6435626906014482
Energy: 1.7606110533036943
Energy: 1.6645794342168587
Energy: 1.6736499207662545
Energy: 1.5344476619671517
Energy: 1.8138919554460347
Energy: 1.9177815967566116
Energy: 1.6863215896262684
Energy: 1.6074233884820188
Energy: 1.7371002507203304
Energy: 1.897642962643576
Energy: 1.8395765438195562
Energy: 1.9101255897108542
Energy: 1.5578961463282528
Energy: 1.732416280467398
Energy: 1.5304771671131963
Energy: 1.8009679954086868
Energy: 1.7753044921156802
Energy: 1.5468371267711754
Energy: 1.926895570035645

minimum gb energy = 1.4386059386344283 eV
minimum distance =  2.21987798370451 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

Energy: 1.690106854114658
Energy: 1.585029788322208
Energy: 1.5457671061382083
Energy: 1.5448554368990148
Energy: 1.6117294142517309
Energy: 1.7172442480017387
Energy: 1.5446522733297627
Energy: 1.5465486247068132
Energy: 1.545435225598871
Energy: 1.6253617326430576
Energy: 1.6019163511296943
Energy: 1.739091489156563
Energy: 1.546428030845764
Energy: 1.5457514030069555
Energy: 1.635257012894142
Energy: 1.6946532204218112
Energy: 1.7263152849345502
Energy: 1.5460508663069317
Energy: 1.5458314311328705
Energy: 1.6065608181896673
Energy: 1.8112270196086488
Energy: 1.8158820863626182
Energy: 1.8068516389936666
Energy: 1.8280099130276437
Energy: 1.786354184517966
Energy: 1.8386924022961695
Energy: 1.8064987766205944
Energy: 1.8066752499741288
Energy: 1.8271643535687165
Energy: 1.7805437428230708
Energy: 1.8400168526402974
Energy: 1.5459116019561538
Energy: 1.7156086626559939
Energy: 1.8388126743902755
Energy: 1.6063879556809293
Energy: 1.8236796847360701
Energy: 1.5498549281640452
Energy: 1.6994097164736188
Energy: 1.8272137042452552
Energy: 1.8235431667756852
Energy: 1.8181713767675092
Energy: 1.612330130819899
Energy: 1.620138871158365
Energy: 1.6177324999848048
Energy: 1.575134488696198
Energy: 1.7077324700297603
Energy: 1.6118279772872455
Energy: 1.5805817676529879
Energy: 1.6252636795398416
Energy: 1.6165817261661868
Energy: 1.5532458910369333
Energy: 1.6902425611578287
Energy: 1.5750945148044482
Energy: 1.621312214366763
Energy: 1.575615193588825
Energy: 1.687240515333262
Energy: 1.6383349067526323
Energy: 1.629424817425025
Energy: 1.6283001494422598
Energy: 1.6295117295560746
Energy: 1.6637918326028145
Energy: 1.8358955925366365
Energy: 1.809944660036149
Energy: 1.5765427561849752
Energy: 1.6162401715547547
Energy: 1.5724192323519408
Energy: 1.8253590609849064
Energy: 1.8113649892937618
Energy: 1.6247901412274075
Energy: 1.6246549845095262
Energy: 1.7914024703356937
Energy: 1.8126965713309136
Energy: 1.8152329474895124
Energy: 1.8082102403040046
Energy: 1.7345045680780993
Energy: 1.6135021715898097
Energy: 1.8109230176637527
Energy: 1.8153965877980691
Energy: 1.8096234588401876
Energy: 1.8354125143324003
Energy: 1.6125620062732966
Energy: 1.8099692804949783
Energy: 1.594129057632132
Energy: 1.8103535465879108
Energy: 1.8083436153368608
Energy: 1.8207505742328536
Energy: 1.8092974554833374
Energy: 1.6478778539546972
Energy: 1.8124515895990814
Energy: 1.8180443448042853
Energy: 1.5696544127290455
Energy: 1.6971358540125496
Energy: 1.6122105432416693
Energy: 1.644123652336448
Energy: 1.6429587881426013
Energy: 1.5705090172277254
Energy: 1.650390274971113
Energy: 1.6124056973841556
Energy: 1.6506913553295295
Energy: 1.6508516090758687
Energy: 1.6467740203661139
Energy: 1.7041016867835252
Energy: 1.8463511082208692
Energy: 1.5695333536130354
Energy: 1.6104011703625343
Energy: 1.5711824387098003
Energy: 1.8323288563392457
Energy: 1.8463629039109761
Energy: 1.6206204389219785
Energy: 1.586620762031816
Energy: 1.6500865924748351
Energy: 1.6748433708509531
Energy: 1.6836371083595838
Energy: 1.6734174545176583
Energy: 1.6350913785492827
Energy: 1.642959875221332
Energy: 1.6506380373834766
Energy: 1.682716601810085
Energy: 1.6732351281722313
Energy: 1.6171735664420657
Energy: 1.638140680084503
Energy: 1.5835137912917907
Energy: 1.6746573519743286
Energy: 1.6762987742581064
Energy: 1.6803031260360544
Energy: 1.7807405320815506
Energy: 1.84864473110282
Energy: 1.6778218500744255
Energy: 1.6792146472992469
Energy: 1.679784536802162
Energy: 1.67307690290379
Energy: 1.6260126368372965
Energy: 1.673588548502946
Energy: 1.6380131949107832
Energy: 1.6731357697009357
Energy: 1.7404677846747107
Energy: 1.6264150522038747
Energy: 1.6739907869091406
Energy: 1.6417227309195872
Energy: 1.6732500023925267
Energy: 1.6939199083078413
Energy: 1.7394530906385188
Energy: 1.8476243874556257
Energy: 1.7336188125690388
Energy: 1.765069521206762
Energy: 1.71941428235963
Energy: 1.7126704368368602
Energy: 1.7936819455046014
Energy: 1.8285592798372874
Energy: 1.7645651060679803
Energy: 1.7684897926220464
Energy: 1.745709924087588
Energy: 1.5606484288608677
Energy: 1.8365316516324532
Energy: 1.7073453419321656
Energy: 1.7344924074221428
Energy: 1.7090635600485218
Energy: 1.5616733030977243
Energy: 1.626977001347745
Energy: 1.7420275903212799
Energy: 1.5997473687329486
Energy: 1.764376628849354
Energy: 1.6382079247100276
Energy: 1.6069921075422173
Energy: 1.6070543712669865
Energy: 1.5999814665968306
Energy: 1.7653449199886433
Energy: 1.643225716435038
Energy: 1.5996892520175638
Energy: 1.6070020442352648
Energy: 1.5997420741241584
Energy: 1.8088188725609537
Energy: 1.806434134738285
Energy: 1.6004474389852175
Energy: 1.6046384749399727
Energy: 1.5995564156604738
Energy: 1.7979183592618506
Energy: 1.8066194096259265
Energy: 1.6003255053724987
Energy: 1.6046739005157482
Energy: 1.6020016333113005
Energy: 1.6744846617353335
Energy: 1.709041474946765
Energy: 1.6012093206172797
Energy: 1.605451008123465
Energy: 1.6003710625590173
Energy: 1.644876559351305
Energy: 1.6935452768964614
Energy: 1.6030106649586138
Energy: 1.605465999511915
Energy: 1.8033944028962707
Energy: 1.6071030883000121
Energy: 1.8140555481681706
Energy: 1.854348258111756
Energy: 1.7875155658641464
Energy: 1.8036532914243235
Energy: 1.646416149505426
Energy: 1.816814640721244
Energy: 1.8512275233074478
Energy: 1.8131073072308024
Energy: 1.8281216113274497
Energy: 1.7617955441367308
Energy: 1.7878431059755329
Energy: 1.59776058274447
Energy: 1.8560697726320101
Energy: 1.8277269529541311
Energy: 1.847144956443935
Energy: 1.8254691132449414
Energy: 1.5973947277814762
Energy: 1.8584329737799796
Energy: 1.6408457831975922
Energy: 1.6466427523153162
Energy: 1.759627248692644
Energy: 1.5983658984854245
Energy: 1.642464513904291
Energy: 1.6432032296193018
Energy: 1.6398430190578641
Energy: 1.7575741232133257
Energy: 1.6454465053692247
Energy: 1.6420921042428835
Energy: 1.6395158142436177
Energy: 1.6402155523956248
Energy: 1.6867297892345012
Energy: 1.6867841373007149
Energy: 1.6393682912770113
Energy: 1.6396670518067993
Energy: 1.640763222576372
Energy: 1.7027720702366602
Energy: 1.6849544531819047
Energy: 1.6391510136616867
Energy: 1.639053639818544
Energy: 1.6451629881321879
Energy: 1.5988618255165763
Energy: 1.8286288723739221
Energy: 1.6398402009651505
Energy: 1.6388388476317877
Energy: 1.6453953364106966
Energy: 1.5978074162480136
Energy: 1.8239765426337364
Energy: 1.6394422165296278
Energy: 1.8048331910690762
Energy: 1.7334481124491978
Energy: 1.580896783450377
Energy: 1.8061397032425295
Energy: 1.6778688256676475
Energy: 1.8054743595206175
Energy: 1.7794707652437272
Energy: 1.5876832981561964
Energy: 1.8077055517895444
Energy: 1.6909754816733154
Energy: 1.8082296392456507
Energy: 1.7791261971502845
Energy: 1.8461333583930883
Energy: 1.8053640417658163
Energy: 1.6852825513573804
Energy: 1.8079541262456866
Energy: 1.83139870697719
Energy: 1.8459601639520824
Energy: 1.8046388036030239
Energy: 1.806724800850011
Energy: 1.6493091619843798
Energy: 1.6046258875860906
Energy: 1.6535898089055574
Energy: 1.5586923755564486
Energy: 1.755674436362564
Energy: 1.6494708803870068
Energy: 1.5995670727157578
Energy: 1.6568784970267403
Energy: 1.618457527920003
Energy: 1.6712745932777253
Energy: 1.645945419739095
Energy: 1.6320568001991511
Energy: 1.6439246593912076
Energy: 1.8310335623615428
Energy: 1.6964753260519936
Energy: 1.6461714783322796
Energy: 1.6443636529701817
Energy: 1.6450733902023122
Energy: 1.558543316474974
Energy: 1.6871599521002567
Energy: 1.6118177552051565
Energy: 1.646538132860038
Energy: 1.6480860321284716
Energy: 1.6515113447404652
Energy: 1.6741263295490612
Energy: 1.6406301617064694
Energy: 1.646606568913285
Energy: 1.675102995557239
Energy: 1.6830083119886838
Energy: 1.673864702441913
Energy: 1.6796113792370881
Energy: 1.677137327815613
Energy: 1.7443808929868463
Energy: 1.8310985338364028
Energy: 1.677433641147445
Energy: 1.680589338857376
Energy: 1.6775096120927704
Energy: 1.7374484553751426
Energy: 1.7791669793803175
Energy: 1.6771718732614942
Energy: 1.6726920290632084
Energy: 1.6729310643138686
Energy: 1.5777971270170594
Energy: 1.7485558767582183
Energy: 1.6782339785162919
Energy: 1.6727720187337896
Energy: 1.6728794793665833
Energy: 1.57741883350442
Energy: 1.7184779982974583
Energy: 1.6780733879977772
Energy: 1.7276063154792594
Energy: 1.7746747465667674
Energy: 1.6544834749761286
Energy: 1.7389049973005601
Energy: 1.568237760211092
Energy: 1.7589358077803767
Energy: 1.7711442097400656
Energy: 1.6548895191482464
Energy: 1.7344882464163636
Energy: 1.557753174459028
Energy: 1.7319326349670117
Energy: 1.7215854534735322
Energy: 1.7225244339855825
Energy: 1.7294045799056448
Energy: 1.5726528621696934
Energy: 1.7390059109974676
Energy: 1.721636077587259
Energy: 1.7225279001637048
Energy: 1.7303346517898257
Energy: 1.6322884238672164
Energy: 1.604498078189663
Energy: 1.6067076333569013
Energy: 1.7845672166302884
Energy: 1.7560384084428984
Energy: 1.681124783730719
Energy: 1.604494287029613
Energy: 1.6014111976787382
Energy: 1.7831675787604793
Energy: 1.7081908037997702
Energy: 1.6272838432360133
Energy: 1.5976952941989662
Energy: 1.605219446375255
Energy: 1.5973972926633946
Energy: 1.6713799496387705
Energy: 1.6726441360706419
Energy: 1.5975248923535852
Energy: 1.6025243446073547
Energy: 1.597436964710256
Energy: 1.6625784230358414
Energy: 1.6643991973874415
Energy: 1.5989788600192338
Energy: 1.6053297400257216
Energy: 1.599609177703903
Energy: 1.6447434682175603
Energy: 1.7434482343037598
Energy: 1.5986010324077937
Energy: 1.6008350921982655
Energy: 1.6000691790492363
Energy: 1.6438767182321345
Energy: 1.7925285224014398
Energy: 1.6126018306988381
Energy: 1.7884023531393904
Energy: 1.7843277156449986
Energy: 1.6422435449438353
Energy: 1.8488049935567512
Energy: 1.6126986367186789
Energy: 1.8400273692659799
Energy: 1.7848342076128245
Energy: 1.6440585110599122
Energy: 1.8557323494788789
Energy: 1.6400577369853815
Energy: 1.848217081490977
Energy: 1.826364370661049
Energy: 1.8275738725971988
Energy: 1.797813490949664
Energy: 1.852393095539442
Energy: 1.8458211272907716
Energy: 1.815222550571271
Energy: 1.8246942241367299
Energy: 1.7891049118264426
Energy: 1.8855276475045428
Energy: 1.6427139351023239
Energy: 1.6411016092923914
Energy: 1.8048626484555712
Energy: 1.6100685936850294
Energy: 1.8050433814411453
Energy: 1.6428868296631483
Energy: 1.6402319857448449
Energy: 1.8121456145273112
Energy: 1.6018239799355707
Energy: 1.5535142959183825
Energy: 1.6387793405398332
Energy: 1.640599383824044
Energy: 1.6404591688185024
Energy: 1.6904700419863776
Energy: 1.5535722201262792
Energy: 1.6388227655241994
Energy: 1.639535325043297
Energy: 1.6402926949383534
Energy: 1.715091355476095
Energy: 1.813190839418222
Energy: 1.6405534216824975
Energy: 1.64004832306139
Energy: 1.6484331658343234
Energy: 1.6361531928126625
Energy: 1.8059701668429038
Energy: 1.640030672531133
Energy: 1.6400241849860733
Energy: 1.6540175354841031
Energy: 1.6790394725853623
Energy: 1.8077751047855308
Energy: 1.6696091754915547
Energy: 1.7551062560591495
Energy: 1.6311783073025008
Energy: 1.7967102372395434
Energy: 1.8131074960175733
Energy: 1.611142930175483
Energy: 1.734458051193895
Energy: 1.631281574318728
Energy: 1.8065885400513362
Energy: 1.6304069424154195
Energy: 1.8097061200750442
Energy: 1.8107090327861826
Energy: 1.662921839461127
Energy: 1.7815567241638395
Energy: 1.6116401118095278
Energy: 1.8036647226014553
Energy: 1.8031107733316076
Energy: 1.6027873993665818
Energy: 1.7892320106947899
Energy: 1.671023693735034
Energy: 1.6572771703690785
Energy: 1.6551686991682648
Energy: 1.6014364540895494
Energy: 1.6568810603212256
Energy: 1.6698610382045285
Energy: 1.652653691018307
Energy: 1.6520502021647945
Energy: 1.6008311445517618
Energy: 1.6891471943024905
Energy: 1.766880631566062
Energy: 1.6484880871584044
Energy: 1.6497815731432286
Energy: 1.6498921036426069
Energy: 1.6892261494743102
Energy: 1.6913116129136931
Energy: 1.6415200947234436
Energy: 1.6496914179440754
Energy: 1.6492570753195777
Energy: 1.6893075188169284
Energy: 1.6509040956123797
Energy: 1.6604801332950234
Energy: 1.5973011420720178
Energy: 1.653003198162219
Energy: 1.6672086926846827
Energy: 1.6514529192224419
Energy: 1.6514375935262324
Energy: 1.5799878249365704
Energy: 1.650826255384826
Energy: 1.7475558213595677
Energy: 1.6501283949618513
Energy: 1.664544232459603
Energy: 1.6637025287031344
Energy: 1.6177759534163323
Energy: 1.6882969725424415
Energy: 1.6214345814419031
Energy: 1.611205090527207
Energy: 1.6115848269458266
Energy: 1.610960849173994
Energy: 1.6878387399821129
Energy: 1.6304589139455845
Energy: 1.6502272410291314
Energy: 1.6593053638495325
Energy: 1.6584718154723372
Energy: 1.5936582461889643
Energy: 1.617872038429742
Energy: 1.5752415240846736
Energy: 1.6509250849657784
Energy: 1.6502222587289777
Energy: 1.5950128169420372
Energy: 1.6702069018182053
Energy: 1.562910325665738
Energy: 1.6063100532161874
Energy: 1.7257097665073493
Energy: 1.6583654530683432
Energy: 1.6986252523851137
Energy: 1.5648985452825144
Energy: 1.6628128220673437
Energy: 1.7517131838967188
Energy: 1.6163210268818313
Energy: 1.7479091064884853
Energy: 1.693830648400784
Energy: 1.7228723906775718
Energy: 1.7681066070574467
Energy: 1.7249864278138585
Energy: 1.8293382086791095
Energy: 1.8456376811111235
Energy: 1.7257844943209801
Energy: 1.76755897778444
Energy: 1.7501462207489447
Energy: 1.6577873306052282
Energy: 1.656220969748489
Energy: 1.5903236071283593
Energy: 1.5459367948781118
Energy: 1.7258870010164922
Energy: 1.575603355385548
Energy: 1.6169009820281652
Energy: 1.546799673031984
Energy: 1.544369221355755
Energy: 1.7620138345509218
Energy: 1.5937937703332417
Energy: 1.545108156132914
Energy: 1.54583026246349
Energy: 1.5439955599653044
Energy: 1.5440266228410626
Energy: 1.5376217908019543
Energy: 1.5443956584409502
Energy: 1.5458655744673846
Energy: 1.5446266946924538
Energy: 1.6313592791855072

minimum gb energy = 1.5376217908019543 eV
minimum distance =  2.18024507765113 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.7713768243827994
Energy: 1.6546305686230884
Energy: 1.60643165991766
Energy: 1.6075561846645587
Energy: 1.5784585860344753
Energy: 1.7071335667732968
Energy: 1.6084334043180988
Energy: 1.6797444572582074
Energy: 1.6056960330534258
Energy: 1.6502303120623758
Energy: 1.6538163390215295
Energy: 1.7091133833537955
Energy: 1.6704022907584077
Energy: 1.7160340861843542
Energy: 1.8042061476637536
Energy: 1.5900157240084198
Energy: 1.5928494641711857
Energy: 1.6097805237934655
Energy: 1.7964493083975772
Energy: 1.7265095760553624
Energy: 1.607543624668219
Energy: 1.847934566625614
Energy: 1.7509837118372482
Energy: 1.6108355392062876
Energy: 1.7605023236869812
Energy: 1.6749223768790333
Energy: 1.6815044908619734
Energy: 1.6035233810399507
Energy: 1.6010952785251575
Energy: 1.7460534766975426
Energy: 1.7455474575468053
Energy: 1.609242382965279
Energy: 1.6758951703499532
Energy: 1.6757016767251323
Energy: 1.6692747067976654
Energy: 1.678315007356674
Energy: 1.6078422089688449
Energy: 1.6106424759869158
Energy: 1.6115059766563253
Energy: 1.7462654851844783
Energy: 1.6063052849399528
Energy: 1.7448161988637008
Energy: 1.7838291456322988
Energy: 1.7826479327239644
Energy: 1.5858326968241963
Energy: 1.6742152580613545
Energy: 1.6757414737022658
Energy: 1.611809868803532
Energy: 1.6845021767900816
Energy: 1.7866731351560305
Energy: 1.6687463944797836
Energy: 1.6953448458369087
Energy: 1.6303930720682525
Energy: 1.6502712343938022
Energy: 1.5853397936877618
Energy: 1.668861938209546
Energy: 1.6947687988100655
Energy: 1.5853145950654493
Energy: 1.6507896075357777
Energy: 1.687797901417253
Energy: 1.6841469272001084
Energy: 1.8388500572689013
Energy: 1.607193106610122
Energy: 1.5883365387567987
Energy: 1.7817084930168754
Energy: 1.6636727440188943
Energy: 1.679422475592525
Energy: 1.7695425529497033
Energy: 1.7727488052165863
Energy: 1.682752445168637
Energy: 1.6975827275304423
Energy: 1.731762762593722
Energy: 1.8311345021977448
Energy: 1.712372286325971
Energy: 1.7868390783777996
Energy: 1.5643867334657424
Energy: 1.737680600835992
Energy: 1.8444470242905289
Energy: 1.8494212757265214
Energy: 1.576490274486301
Energy: 1.563538303653562
Energy: 1.685077999625331
Energy: 1.764998186605741
Energy: 1.8635350855383304
Energy: 1.7456044631151115
Energy: 1.5639448299367684
Energy: 1.6600076091152636
Energy: 1.7505221899272996
Energy: 1.6326498346747198
Energy: 1.5800623981818422
Energy: 1.76447771260622
Energy: 1.7216093560526595
Energy: 1.7680505206033006
Energy: 1.8537062531103914
Energy: 1.8455127389797106
Energy: 1.6604472560039254
Energy: 1.7037665280656673
Energy: 1.7195690872198555
Energy: 1.6770325464748972
Energy: 1.7427218773301147
Energy: 1.7320783562897992
Energy: 1.5975123594165273
Energy: 1.7225777778841849
Energy: 1.6792480524054618
Energy: 1.683051211989394
Energy: 1.6777612820415941
Energy: 1.6146298348151034
Energy: 1.7481492341102578
Energy: 1.7436462339523404
Energy: 1.7055403714380517
Energy: 1.5981508928548684
Energy: 1.7707920435101747
Energy: 1.7223273967488766
Energy: 1.5868440883917392
Energy: 1.6505128561383
Energy: 1.675896266672724
Energy: 1.7270352551011345
Energy: 1.7906941923091644
Energy: 1.7885275548549668
Energy: 1.702068153281626
Energy: 1.758324461599564
Energy: 1.7406386928810182
Energy: 1.5872099970228504
Energy: 1.5877914278347645
Energy: 1.6022179549395887
Energy: 1.7602524935880632
Energy: 1.6687458240687951
Energy: 1.6929718496648383
Energy: 1.7082496630089545
Energy: 1.6815426738804407
Energy: 1.6805493114137031
Energy: 1.6742954331593214
Energy: 1.669738494997958
Energy: 1.6511773913025936
Energy: 1.5891947226789214
Energy: 1.748276659042397
Energy: 1.6750343815900257
Energy: 1.6298687560153438
Energy: 1.6506101395461876
Energy: 1.71673649074237
Energy: 1.6514078484178252
Energy: 1.7802015088083076
Energy: 1.7545215519808715
Energy: 1.6067375391214662
Energy: 1.5890074593514427
Energy: 1.6504095385315767
Energy: 1.6753809666473614
Energy: 1.6046170832811886
Energy: 1.6097487605265772
Energy: 1.712653703640905

minimum gb energy = 1.563538303653562 eV
minimum distance =  2.23691653752183 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.5546739606474034
Energy: 1.409905351085051
Energy: 1.4199742457377473
Energy: 1.3572685293392315
Energy: 1.3581721632920594
Energy: 1.5138875758922081
Energy: 1.3572980125963792
Energy: 1.4317683349631172
Energy: 1.4201543903358553
Energy: 1.5150305413888436
Energy: 1.5917063587667042
Energy: 1.4934203053644735
Energy: 1.357822855897021
Energy: 1.4648272604602506
Energy: 1.544864477317913
Energy: 1.5534749670951222
Energy: 1.3547620083830283
Energy: 1.4187256090913043
Energy: 1.5081961928519358
Energy: 1.6102264132060073
Energy: 1.4794205768771473
Energy: 1.5376474311010857
Energy: 1.4762139905053173
Energy: 1.467620895686386
Energy: 1.5820601887320054
Energy: 1.508905994855419
Energy: 1.512630268811105
Energy: 1.5355099454520547
Energy: 1.51112071203844
Energy: 1.5644177270179012
Energy: 1.5517892485586893
Energy: 1.4956875656560165
Energy: 1.614741491217709
Energy: 1.501247769160453
Energy: 1.5372039691330668
Energy: 1.5607123211829024
Energy: 1.4189847062443366
Energy: 1.4750418123705387
Energy: 1.5176397353764988
Energy: 1.5917236449342167
Energy: 1.5723293129549414
Energy: 1.4978978034981452
Energy: 1.5574006264003537
Energy: 1.5565027790418093
Energy: 1.5063550224904378
Energy: 1.4823518347142266
Energy: 1.4795102745483126
Energy: 1.4871044943348206
Energy: 1.5535604452406895
Energy: 1.613470023978897
Energy: 1.584646705349166
Energy: 1.5269747232653919
Energy: 1.609686620275652
Energy: 1.4303050354501803
Energy: 1.5863244567158614
Energy: 1.6125396059169639
Energy: 1.555768198372747
Energy: 1.5879745737672093
Energy: 1.428567204946343
Energy: 1.6119395669684649
Energy: 1.5448558385963436
Energy: 1.5571147869429744
Energy: 1.5463917326228445
Energy: 1.4292428098374532
Energy: 1.5957939985290457
Energy: 1.4896972613078374
Energy: 1.483854105440187
Energy: 1.4880182691882513
Energy: 1.4369778499895491
Energy: 1.543978982288998
Energy: 1.534679649371361
Energy: 1.441222885418412
Energy: 1.4351637644572839
Energy: 1.3940344002926037
Energy: 1.4689297569180617
Energy: 1.6344955122650504
Energy: 1.5338641194142186
Energy: 1.517242468042613
Energy: 1.4972877719209459
Energy: 1.3826703460215755
Energy: 1.5375819245680882
Energy: 1.4227798680108703
Energy: 1.5068448244304993
Energy: 1.4310072691990237
Energy: 1.4919403551807815
Energy: 1.5385257117372593
Energy: 1.4448280728519116
Energy: 1.5091653665996574
Energy: 1.4404713882116646
Energy: 1.4390976215792168
Energy: 1.6181085103061068
Energy: 1.419661188427668
Energy: 1.3941766145309933
Energy: 1.439423054041934
Energy: 1.5800449819798543
Energy: 1.577735729110024
Energy: 1.4599579427921479
Energy: 1.4586353549171955
Energy: 1.5155853831575372
Energy: 1.5598045935125526
Energy: 1.4049689002086072
Energy: 1.3896244907493591
Energy: 1.4339188715662168
Energy: 1.4575753657698458
Energy: 1.5200502589116165
Energy: 1.4035166725868584
Energy: 1.45856871032371
Energy: 1.4336053649390104
Energy: 1.4618423976363855
Energy: 1.5425638806524355
Energy: 1.4033595300515012
Energy: 1.4576670085484777
Energy: 1.3918725035662167
Energy: 1.4571640693467123
Energy: 1.5742299481285769
Energy: 1.4353140852792248
Energy: 1.430763336816335
Energy: 1.394371830307616
Energy: 1.514913197233953
Energy: 1.5844746605168614
Energy: 1.43986150748322
Energy: 1.4553947449791609
Energy: 1.3886721702271139
Energy: 1.581652769923747
Energy: 1.4289493438928282
Energy: 1.402602236525716
Energy: 1.4540558942788213
Energy: 1.3901167111889814
Energy: 1.6075902261042745
Energy: 1.4351072489171819
Energy: 1.4073901235487707
Energy: 1.4597175829005686
Energy: 1.3988092826918366
Energy: 1.5534253935989752
Energy: 1.5865365145751016
Energy: 1.4019855990603978
Energy: 1.4590485239798263
Energy: 1.392930850854019
Energy: 1.4104790826341218
Energy: 1.6300770002730958
Energy: 1.4107215209354422
Energy: 1.5382505134162647
Energy: 1.5362303311909737
Energy: 1.5873783252438713
Energy: 1.51482029118789
Energy: 1.4063166360334474
Energy: 1.542804196279344
Energy: 1.5526441584528747
Energy: 1.5851351896384236
Energy: 1.585439961951082
Energy: 1.392606156315756
Energy: 1.5255232616717664
Energy: 1.5834106295630996
Energy: 1.536399809269174
Energy: 1.5556867208854461
Energy: 1.3909802208298185
Energy: 1.547954548092004
Energy: 1.585961034341956
Energy: 1.5092022402054481
Energy: 1.531313407800096
Energy: 1.4627207224950733
Energy: 1.5476298208616155
Energy: 1.58800845992075
Energy: 1.5836337409960244
Energy: 1.6263904228950654
Energy: 1.514879346240814
Energy: 1.5133888613276858
Energy: 1.5838311676450314
Energy: 1.5589015317959607
Energy: 1.4807693614218995
Energy: 1.6073921400517808
Energy: 1.5704698186477717
Energy: 1.6140894355729454
Energy: 1.5858724611541797
Energy: 1.398789290905414
Energy: 1.608269880686977
Energy: 1.6152780266547981
Energy: 1.406837762141406
Energy: 1.606938688167233
Energy: 1.422838740093657
Energy: 1.593973702436072
Energy: 1.5877459226806117
Energy: 1.5863523476113854
Energy: 1.6066511246255397
Energy: 1.5594618910687064
Energy: 1.571404747876543
Energy: 1.5941597170391095
Energy: 1.6053949920577393
Energy: 1.6075794015851819
Energy: 1.3990017081474626
Energy: 1.6170849559901683
Energy: 1.5608165142437653
Energy: 1.4373085541688142
Energy: 1.6090051302274513
Energy: 1.5357844717980953
Energy: 1.556476231794047
Energy: 1.4914615137575806
Energy: 1.457849735244622
Energy: 1.548210041838408
Energy: 1.557984947409551
Energy: 1.507896075254631
Energy: 1.5291604974328314
Energy: 1.3832754728142753
Energy: 1.5052662020046135
Energy: 1.5831691235018437
Energy: 1.4333237275437973
Energy: 1.5694569603083597
Energy: 1.5037691946724092
Energy: 1.5076621380992787
Energy: 1.5111495328302282
Energy: 1.4181235062906083
Energy: 1.4765572829175735
Energy: 1.435383579099651
Energy: 1.6311108741986515
Energy: 1.4756405739269092
Energy: 1.50411804424451
Energy: 1.511820224518259
Energy: 1.4526196141120147
Energy: 1.4866661579662968
Energy: 1.5158436896456835
Energy: 1.4860458810755484
Energy: 1.4598262047875843
Energy: 1.4629358690966634
Energy: 1.5685977116182743
Energy: 1.4247518995390975
Energy: 1.3902487638984309
Energy: 1.4571768198409834
Energy: 1.4888721719483804
Energy: 1.5905953970235716
Energy: 1.459480811213618
Energy: 1.4598694053481587
Energy: 1.4573728850373142
Energy: 1.6008988634870445
Energy: 1.601889777622895
Energy: 1.4252776882694704
Energy: 1.3893896214990349
Energy: 1.4583837524869996
Energy: 1.5762682762352243
Energy: 1.4064433824537574
Energy: 1.4595239136070353
Energy: 1.3932632838810504
Energy: 1.3892044954009495
Energy: 1.61882021055482
Energy: 1.5101409646719908
Energy: 1.4613993696328582
Energy: 1.3920838142463903
Energy: 1.4568547902778073
Energy: 1.6209220464692027
Energy: 1.4355427628794053
Energy: 1.4489627982296371
Energy: 1.4066517171842565
Energy: 1.4231133349108134
Energy: 1.6132964558970397
Energy: 1.4079581401122523
Energy: 1.4622421846379354
Energy: 1.4016670351613245
Energy: 1.5443335354099479
Energy: 1.596438087668415
Energy: 1.4051877955762757
Energy: 1.4599353755996967
Energy: 1.410299294526695
Energy: 1.541214387752607
Energy: 1.581066760059391
Energy: 1.426999962393892
Energy: 1.535850248123789
Energy: 1.4002065246218316
Energy: 1.5518540739109865
Energy: 1.5786968616426424
Energy: 1.4070517903285038
Energy: 1.529712199400825
Energy: 1.554514293216137
Energy: 1.5736991189789113
Energy: 1.5242262837358012
Energy: 1.3934538663244669
Energy: 1.5358722157063198
Energy: 1.5454071639236286
Energy: 1.604940354172921
Energy: 1.5813490850014371
Energy: 1.3897754149796415
Energy: 1.5572628939888797
Energy: 1.510575142919235
Energy: 1.6381696845377676
Energy: 1.5641755033277491
Energy: 1.5516947095475375
Energy: 1.4766841158419093
Energy: 1.5476311444467263
Energy: 1.5908732669245278
Energy: 1.5270293016144725
Energy: 1.43884302855749
Energy: 1.5758873683588859
Energy: 1.5193450069172436
Energy: 1.4326722262542597
Energy: 1.5156169930527894
Energy: 1.5814271880778186
Energy: 1.5832266318885622
Energy: 1.5199007121582337
Energy: 1.588372169026135
Energy: 1.5678403738632651
Energy: 1.513556517179505
Energy: 1.5161877778534343
Energy: 1.3638263519784313
Energy: 1.5752276148459348
Energy: 1.5630459278624655
Energy: 1.614963471212816
Energy: 1.5953450547934682
Energy: 1.435840710242897
Energy: 1.5884389036134057
Energy: 1.3984725207918485
Energy: 1.5468035375671116
Energy: 1.540254077175378
Energy: 1.5355172155313277
Energy: 1.5975156709959615
Energy: 1.6147296577300432
Energy: 1.5557129242888261
Energy: 1.5403027915878424
Energy: 1.4257809535384682
Energy: 1.5396378217317392
Energy: 1.5123895957370417
Energy: 1.5500839551716372
Energy: 1.626377942257965
Energy: 1.483017049507116
Energy: 1.5394876099298236
Energy: 1.6219375989365694
Energy: 1.5809715574215557
Energy: 1.5509085947755288
Energy: 1.4487281211035101
Energy: 1.595361417988658
Energy: 1.481020523297414
Energy: 1.5639678485406763
Energy: 1.4585326242578687
Energy: 1.5037431102570233
Energy: 1.5944852694999256
Energy: 1.5873863514644997
Energy: 1.3709178071464818
Energy: 1.4209234621683133
Energy: 1.3628563773215758
Energy: 1.591786535352888
Energy: 1.5859480254381941
Energy: 1.5347319930406658
Energy: 1.4080953599956738
Energy: 1.371088003435991
Energy: 1.4876770807986652
Energy: 1.5399729165849012
Energy: 1.364986566819496
Energy: 1.4027790692399402
Energy: 1.4596610938215357
Energy: 1.4462483694046475
Energy: 1.598560118824109
Energy: 1.4900783972689715
Energy: 1.4200937939953633
Energy: 1.4487565911008635
Energy: 1.5631668488081472
Energy: 1.3762574672448673
Energy: 1.3752836862284354
Energy: 1.4215414984623373
Energy: 1.3720705572195746
Energy: 1.5301008060361823
Energy: 1.4512307976912715
Energy: 1.497914342722804
Energy: 1.4189993845376545
Energy: 1.4048602912701333
Energy: 1.438678491938522
Energy: 1.4108009610329277
Energy: 1.3588446968584962
Energy: 1.419585501433431
Energy: 1.4063623172597826
Energy: 1.4402501361817457
Energy: 1.420070905464415
Energy: 1.4978784169819077
Energy: 1.4304431059785743
Energy: 1.4932896244506533
Energy: 1.5690931290934476
Energy: 1.429209849436237
Energy: 1.420147709405637
Energy: 1.3534275232641717
Energy: 1.545201588602351
Energy: 1.5470777467330368
Energy: 1.4187439878757564
Energy: 1.357584992302159
Energy: 1.3582692298335428
Energy: 1.5652430596053686
Energy: 1.3577122105030333
Energy: 1.4205190952048796
Energy: 1.3975235653887612
Energy: 1.3548648366321563
Energy: 1.4647718286610578
Energy: 1.3588446675051051
Energy: 1.4965397926963409
Energy: 1.3571616385079763
Energy: 1.4214303701118138

minimum gb energy = 1.3534275232641717 eV
minimum distance =  2.23428127672995 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 1.173863742343739
Energy: 1.017159103929494
Energy: 1.1062692270215215
Energy: 1.1037011255047666
Energy: 0.6594340943360704
Energy: 0.6951933392934716
Energy: 1.1218254347173378
Energy: 1.111743260178133
Energy: 1.1030166271272122
Energy: 0.9766385835485757
Energy: 1.005456447374277
Energy: 0.9485436051351861
Energy: 1.103061379440318
Energy: 0.996488901699964
Energy: 1.1251862092321152
Energy: 1.120783472653818
Energy: 1.1233229834022016
Energy: 1.0675689853945678
Energy: 0.9803870958752782
Energy: 1.0041713335737177
Energy: 0.9772966537271608
Energy: 0.9878449162469921
Energy: 0.9879247901481001
Energy: 1.1083851835864946
Energy: 0.8278178559658183
Energy: 1.1161103472188936
Energy: 1.0501683172668999
Energy: 1.0555390101292503
Energy: 0.9771145398941141
Energy: 0.6526250928937178
Energy: 0.6559880148548678
Energy: 0.9893710133502264
Energy: 1.177858870001116
Energy: 1.129954143257254
Energy: 0.8287082447828151
Energy: 0.8357633247340892
Energy: 1.0448947140245401
Energy: 1.0650391872766116
Energy: 0.9786066789673847
Energy: 0.6537241290068967
Energy: 0.9806157152635738
Energy: 1.1887352378681217
Energy: 0.9471823399057417
Energy: 1.0732015299276145
Energy: 1.1947521423426963
Energy: 1.1058835049125764
Energy: 0.9866284865761028
Energy: 1.1133180283053399
Energy: 1.1188648530198184
Energy: 0.9919923668915092
Energy: 1.0044901405246727
Energy: 0.9890910227964611
Energy: 1.0390200916258903
Energy: 0.6529636682687743
Energy: 0.6533326339599186
Energy: 1.0023654857334423
Energy: 0.9477977430469596
Energy: 1.0578108742979646
Energy: 0.7490511773623912
Energy: 0.7558940906278901
Energy: 1.0969701219798984
Energy: 1.1304964324977347
Energy: 1.0744208462768943
Energy: 0.6516554652434091
Energy: 0.6572329037827644
Energy: 1.004005924138062
Energy: 0.9512726007701426
Energy: 1.0748802460075166
Energy: 0.748409703083749
Energy: 1.0617914909934254
Energy: 1.17556764909804
Energy: 0.9880833202957285
Energy: 1.0711915846326596
Energy: 1.070946638896914
Energy: 1.0656151407556267
Energy: 1.1171220434546598
Energy: 0.9478753848201057
Energy: 1.292489726792202
Energy: 1.126881256119616
Energy: 1.1327230061740485
Energy: 0.9931271058845067
Energy: 1.1894372359482084
Energy: 0.6939023576760831
Energy: 0.6538372193826021
Energy: 1.1258389815950591
Energy: 0.9464464901262093
Energy: 1.1581069693881172
Energy: 0.7544136521396251
Energy: 0.7515864890815641
Energy: 1.034205430160397
Energy: 1.0112200445325659
Energy: 0.9513880624907833
Energy: 0.6544287390177432
Energy: 0.954739726628507
Energy: 1.0176586707421225
Energy: 1.1571494637477235
Energy: 1.0826647781949181
Energy: 0.7512745397886977
Energy: 1.0621956682250264
Energy: 1.1577246739474907
Energy: 1.2721744897238902
Energy: 1.0407150181860494
Energy: 0.7502942511134646
Energy: 1.1424008305849969
Energy: 0.9968451659669059
Energy: 1.168915875918383
Energy: 0.6550965397956021
Energy: 0.655189678904131
Energy: 1.3055687099794726
Energy: 0.9518382379926931
Energy: 1.3275280760798196
Energy: 0.7500072449915379
Energy: 0.7518091096317555
Energy: 1.190340039563515
Energy: 1.1661264138077725
Energy: 1.3193944027222202
Energy: 0.6537256492757242
Energy: 0.688330136752342
Energy: 1.0045215770186284
Energy: 1.0003867694141946
Energy: 1.2530962385175428
Energy: 1.0847564617057466
Energy: 1.1831986370354344
Energy: 1.210386198258649
Energy: 1.3150462891276842
Energy: 1.167299691377216
Energy: 1.086666745705978
Energy: 1.1626493938145737
Energy: 1.3006946806281656
Energy: 1.2173989165190224
Energy: 0.6551287837333876
Energy: 0.6521058686593662
Energy: 1.148944060832877
Energy: 1.290301655206892
Energy: 1.0706902354977448
Energy: 0.7588203562211701
Energy: 0.7493128988681261
Energy: 1.2820016223910706
Energy: 1.11986009426152
Energy: 1.0876992558675402
Energy: 0.6542331563103025
Energy: 0.6527146372168362
Energy: 1.1732598036819948
Energy: 1.223237236049128
Energy: 1.1575970966520421
Energy: 0.7525730554939445
Energy: 0.7493870001105017
Energy: 1.0726853856597216
Energy: 1.1716295842078317
Energy: 1.2555914283622438
Energy: 1.1334929838337535
Energy: 1.2095309566722496
Energy: 1.1687258472649489
Energy: 1.2537330365783714
Energy: 1.2422643421785284
Energy: 1.2400108113051367
Energy: 1.2676974962416312
Energy: 1.241573844420257
Energy: 1.2435169353674853
Energy: 1.3356515229685637
Energy: 0.654860977061131
Energy: 1.3246595280079996
Energy: 1.3177640616854218
Energy: 1.2271716111408177
Energy: 0.6866493490561024
Energy: 0.6539394988147423
Energy: 1.3929106634098323
Energy: 1.1667431706622455
Energy: 1.1104143103634274
Energy: 0.6938230186041078
Energy: 0.6531648930937182
Energy: 1.2225981533909343
Energy: 1.1539259109721758
Energy: 1.2710903804265932
Energy: 1.2516607870802732
Energy: 0.6536838025883592
Energy: 1.2774964814976184
Energy: 1.2705708457067975
Energy: 1.1706688435558859
Energy: 1.1650312677623629
Energy: 1.2642216588620439
Energy: 1.171420419465404
Energy: 1.1621591944989582
Energy: 1.268719122902528
Energy: 0.7497005097768844
Energy: 1.2261333129324496
Energy: 1.2659321803393453
Energy: 1.2186117242283798
Energy: 1.1652900159065511
Energy: 0.6543684079110192
Energy: 0.6554595209768864
Energy: 1.1761410611614842
Energy: 1.2046782502003814
Energy: 1.284725128058509
Energy: 0.7528789772986828
Energy: 0.7500586511973488
Energy: 1.1724157593217976
Energy: 1.2422806502628247
Energy: 0.6541060429039316
Energy: 0.6938748203669571
Energy: 1.148777718482455
Energy: 1.032523536547341
Energy: 1.2929690966913492
Energy: 1.1747119330475302
Energy: 1.300839841550583
Energy: 1.2338521581655084
Energy: 1.2265696621663076
Energy: 0.985820637531394
Energy: 1.1620913897115905
Energy: 1.0781365939990974
Energy: 1.2182923134133552
Energy: 0.9816837928138921
Energy: 1.185802435655355
Energy: 0.6526692536147725
Energy: 0.6530234672908283
Energy: 1.2049889509458638
Energy: 1.2507948004450633
Energy: 0.9870681135242901
Energy: 0.7519840591023012
Energy: 1.2846773782941807
Energy: 1.1614516208441878
Energy: 1.1726157053947401
Energy: 1.2807097421437204
Energy: 0.6526622496773178
Energy: 0.6583076257074674
Energy: 1.1723970409756113
Energy: 1.1827731821327372
Energy: 1.0126753223836074
Energy: 0.7487786854341041
Energy: 0.7497531829154812
Energy: 1.269739793025465
Energy: 1.0370626699742576
Energy: 1.0682250043972308
Energy: 1.0824590559924494
Energy: 1.1740849228974513
Energy: 1.1769879366353924
Energy: 1.001109863822525
Energy: 0.9816053421458698
Energy: 1.0513569775296114
Energy: 1.1563996165528196
Energy: 1.0056403494208344
Energy: 1.237958575066729
Energy: 0.7508954202086549
Energy: 0.7492479295556308
Energy: 1.0655590713021275
Energy: 1.0649391278422295
Energy: 0.9832724353367283
Energy: 0.6537511762068173
Energy: 0.6532279806701209
Energy: 0.9934186507874315
Energy: 0.9512539843051185
Energy: 1.0607228905318313
Energy: 0.7488826514231182
Energy: 0.7573796944467197
Energy: 1.0657505822533273
Energy: 1.0644848240389326
Energy: 0.9820940041626048
Energy: 0.6528109409245257
Energy: 0.6562556103486497
Energy: 1.06321775255605
Energy: 0.9933880745675077
Energy: 1.117622267724485
Energy: 1.0806574383157335
Energy: 0.9943004014065201
Energy: 0.9905762864554901
Energy: 1.0787409074820604
Energy: 1.0625602280527926
Energy: 1.083439494325493
Energy: 0.9839722974935617
Energy: 1.3036264811364757
Energy: 1.0781125049624865
Energy: 0.7494728155098981
Energy: 0.7511338569592627
Energy: 1.1801839026012264
Energy: 0.9892258073835601
Energy: 1.002308720747098
Energy: 0.6547567477556016
Energy: 0.6545855780310069
Energy: 1.1767329294502404
Energy: 0.948696083586688
Energy: 0.9943966606150557
Energy: 1.068704241120409
Energy: 0.7542657925924984
Energy: 1.0513583101972137
Energy: 0.9877126783327651
Energy: 1.0672889020402228
Energy: 1.0682927962598403
Energy: 1.0782839018123458
Energy: 1.0667511934905787
Energy: 1.1750658841740356
Energy: 0.9752679001377788
Energy: 0.6550025732133228
Energy: 1.172807360094402
Energy: 0.9916928039020764
Energy: 0.9876098460684761
Energy: 1.136954486008211
Energy: 0.8270933056467148
Energy: 1.076543090040886
Energy: 1.0183894635875312
Energy: 1.1372765007257386
Energy: 0.655495268656977
Energy: 0.6565782995203537
Energy: 0.9805135574340681
Energy: 1.0617184277480531
Energy: 1.1285137772380507
Energy: 0.8253215726308323
Energy: 0.83057617187523
Energy: 1.0392198102572703
Energy: 1.1018884041649493
Energy: 1.1536718086419966
Energy: 0.9993334617648698
Energy: 0.9813332477707623
Energy: 0.9806209319580564
Energy: 1.1117571063856602
Energy: 1.1368679639833743
Energy: 1.1714204030914963
Energy: 0.9512941463220275
Energy: 1.1008288654993938
Energy: 1.1063335103218592
Energy: 0.9795017437901947
Energy: 1.0068335108239213
Energy: 1.1722860542217974
Energy: 1.1571835825356542
Energy: 1.045861597973165
Energy: 1.1240399424377545
Energy: 0.6542517913691503
Energy: 1.1148558808307745
Energy: 1.1051593933445316
Energy: 0.9852698683032722
Energy: 0.9772835397150588

minimum gb energy = 0.6516554652434091 eV
minimum distance =  2.31806095718264 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.3684026943822676
Energy: 1.3521455136045997
Energy: 1.3465508921545617
Energy: 1.346228525695166
Energy: 1.3433338634503178
Energy: 1.3317412845978276
Energy: 1.356373501132828
Energy: 1.3456580525054265
Energy: 1.3516693494952958
Energy: 1.3435893770847844
Energy: 1.3467501900178223
Energy: 1.3558332159763353
Energy: 1.3492316601476544
Energy: 1.3700928881226861
Energy: 1.347202081424968
Energy: 1.3677117818165796
Energy: 1.3559088006674977
Energy: 1.3481398753673097
Energy: 1.371822583134677
Energy: 1.3471198606599961
Energy: 1.3315907794787942
Energy: 1.3508483621236
Energy: 1.3724194393341775
Energy: 1.3572939014841359
Energy: 1.3493891975023984
Energy: 1.3327756355405556
Energy: 1.3662397610267432
Energy: 1.369782972488405
Energy: 1.357857159145605
Energy: 1.3363430256007125
Energy: 1.3493261759855715
Energy: 1.3505474135361932
Energy: 1.3493818373395856
Energy: 1.3549051259606086
Energy: 1.3437876861928126
Energy: 1.3491936179898716
Energy: 1.3486186693062472
Energy: 1.348822624791053
Energy: 1.3552873488348405
Energy: 1.3492778389150772
Energy: 1.3567606727949455
Energy: 1.3557369240086254
Energy: 1.3469534996561565
Energy: 1.3479031093608314
Energy: 1.3575059730453343
Energy: 1.3554075726743204
Energy: 1.350065819901988
Energy: 1.3482283060449423
Energy: 1.3376841690086754
Energy: 1.3485118173218569
Energy: 1.3463082547189635
Energy: 1.3556020756133225
Energy: 1.369937245348138
Energy: 1.334705676260846
Energy: 1.3348358614143827
Energy: 1.3479069622495894
Energy: 1.3547286734950212
Energy: 1.369687669314267
Energy: 1.334878690494977
Energy: 1.334694416306399
Energy: 1.3374576254429151
Energy: 1.349010700100842
Energy: 1.3445753642040845
Energy: 1.3355080294368618
Energy: 1.35554310919562
Energy: 1.3511363692743814
Energy: 1.3477426356981936
Energy: 1.3444574911663179
Energy: 1.3506367048786678
Energy: 1.3508786280028304
Energy: 1.346816359641914
Energy: 1.3448846892284758
Energy: 1.3343960645302197
Energy: 1.3478463070565683
Energy: 1.3503718924338237
Energy: 1.345811739265153
Energy: 1.3457064195784634
Energy: 1.3351683330507627
Energy: 1.353177754910325
Energy: 1.3506494648141576
Energy: 1.3588262724950806
Energy: 1.3342376140369667
Energy: 1.3413706167929103
Energy: 1.3309677887469027
Energy: 1.3362485237632682
Energy: 1.3467160772376108
Energy: 1.334399548700383
Energy: 1.3406159290254422
Energy: 1.327703174497059
Energy: 1.3352142085376963
Energy: 1.340818589119784
Energy: 1.3356029709799673
Energy: 1.346041212853658
Energy: 1.3551722577802159
Energy: 1.3365937918859814
Energy: 1.3488563345031708
Energy: 1.34339520557896
Energy: 1.3385982955961087
Energy: 1.3517813267392698
Energy: 1.337375561233984
Energy: 1.3444179970992611
Energy: 1.3360101962884274
Energy: 1.345129797127287
Energy: 1.331179628408851
Energy: 1.3360764708817805
Energy: 1.3400994967707114
Energy: 1.3348449052124929
Energy: 1.340897679298424
Energy: 1.3314931435373778
Energy: 1.334849003710953
Energy: 1.3291692749586257
Energy: 1.3346459312981402
Energy: 1.326441795265059
Energy: 1.3480450943688327
Energy: 1.3261344268358162
Energy: 1.328556968337771
Energy: 1.3292813710723645
Energy: 1.3555676668045715
Energy: 1.3389073874517863
Energy: 1.3523673587860927
Energy: 1.335892353982169
Energy: 1.3501839964971778
Energy: 1.3346124676000999
Energy: 1.328291561104492
Energy: 1.3441864433460338
Energy: 1.3357761606267269
Energy: 1.35019993644309
Energy: 1.332868948487954
Energy: 1.3298450075025907
Energy: 1.370166858451823
Energy: 1.3344073361265374
Energy: 1.3385655419622011
Energy: 1.3331944545580439
Energy: 1.3488940494841728
Energy: 1.3446408819880342
Energy: 1.3316771045882092
Energy: 1.336385713376064
Energy: 1.3349102214789517
Energy: 1.3394282014508598
Energy: 1.3487520736161875
Energy: 1.336282236489633
Energy: 1.328252211456387
Energy: 1.3301902614214711
Energy: 1.32905193454887
Energy: 1.3319033898726373
Energy: 1.337018955258115
Energy: 1.328225259557951
Energy: 1.3301891936879289
Energy: 1.3290035909747524
Energy: 1.3312500631580744
Energy: 1.3431860026245748
Energy: 1.354533428748299
Energy: 1.3343779929687063
Energy: 1.338328994066859
Energy: 1.3477730153778904
Energy: 1.3438670767539502
Energy: 1.3547414734992484
Energy: 1.333453899855712
Energy: 1.3353436355425308
Energy: 1.339682988786201
Energy: 1.343247133882084
Energy: 1.3453295409582906
Energy: 1.347365301060497
Energy: 1.3332599300718473
Energy: 1.3313486473707419
Energy: 1.3418227641210427
Energy: 1.3448255129301727
Energy: 1.334156522315194
Energy: 1.3574784059275935
Energy: 1.3383657252488719
Energy: 1.344642039635795
Energy: 1.3441532314366333
Energy: 1.3328551483119426
Energy: 1.3313822287089763
Energy: 1.3443239962575217
Energy: 1.3394529087307936
Energy: 1.3445845206584202
Energy: 1.328346641717788
Energy: 1.332775044835513
Energy: 1.3447637129780687
Energy: 1.3452600465479152
Energy: 1.3386930753787032
Energy: 1.3503789123585208
Energy: 1.347712585471275
Energy: 1.3505759186731527
Energy: 1.3456970815972311
Energy: 1.338358066962195
Energy: 1.3472238242664352
Energy: 1.348073719782252
Energy: 1.345901544168942
Energy: 1.3408698467649565
Energy: 1.3566198707104107
Energy: 1.3472111852162183
Energy: 1.3538198142894033
Energy: 1.3454661445825518
Energy: 1.3444099540872294
Energy: 1.3471048836375545
Energy: 1.346818365192139
Energy: 1.345936574783321
Energy: 1.3385331580241129
Energy: 1.3534971879484428
Energy: 1.3317622821487893
Energy: 1.327401668537878
Energy: 1.3472408642677447
Energy: 1.3419524214476137
Energy: 1.3520514462576045
Energy: 1.3320108631511507
Energy: 1.3276033226819435
Energy: 1.3497483639057948
Energy: 1.3416016224434995
Energy: 1.3582784604680835
Energy: 1.329449946618272
Energy: 1.3456815889144764
Energy: 1.3439448805518812
Energy: 1.3412394216619161
Energy: 1.3636896951156967
Energy: 1.3874811021445488
Energy: 1.3454774315985845
Energy: 1.342785423261535
Energy: 1.3414143430666294
Energy: 1.3345528578845802
Energy: 1.3495445991052968
Energy: 1.353627954411206
Energy: 1.3704935397888334
Energy: 1.337609381552342
Energy: 1.3514472832451052
Energy: 1.33013707098625
Energy: 1.3532956101784561
Energy: 1.3585281281163109
Energy: 1.337272230605173
Energy: 1.3352230806360983
Energy: 1.347631820018958
Energy: 1.3407691680844298
Energy: 1.338025420015088
Energy: 1.3487191520312969
Energy: 1.33746674425109
Energy: 1.3474635438420117
Energy: 1.3458040900470725
Energy: 1.3455010773080396
Energy: 1.3490900691600631
Energy: 1.3461956345229604
Energy: 1.3361792215509618
Energy: 1.3578079393131013
Energy: 1.3479705475820543
Energy: 1.3460393088795797
Energy: 1.3383182009051655
Energy: 1.339865113931369
Energy: 1.3556469946303136
Energy: 1.3561580577659602
Energy: 1.3428593327941991
Energy: 1.3392574251405105
Energy: 1.3450004986598358
Energy: 1.347456778600429
Energy: 1.346390501259581
Energy: 1.3433408415562342
Energy: 1.3925033561432218
Energy: 1.344595070113656
Energy: 1.3480893046716682
Energy: 1.3490051270544918
Energy: 1.338025052058602
Energy: 1.3388677736874561
Energy: 1.343590148947424
Energy: 1.3453829337116734
Energy: 1.34464916198826
Energy: 1.3487322110112525
Energy: 1.3360296476250564
Energy: 1.341315824980761
Energy: 1.3503243047730644
Energy: 1.3464219363426373
Energy: 1.354362566386906
Energy: 1.34980844018086
Energy: 1.3496162064836852
Energy: 1.3543851446414963
Energy: 1.3474014837902175
Energy: 1.3286187066675095
Energy: 1.3458058964353672
Energy: 1.3507841712352655
Energy: 1.3529650621610245
Energy: 1.348130069459983
Energy: 1.3326136371870796
Energy: 1.3354904985684004
Energy: 1.3305522303007302
Energy: 1.3341524250441499
Energy: 1.337599001794393
Energy: 1.3610817907209505
Energy: 1.3434042313069257
Energy: 1.3306445297101284
Energy: 1.3361982596351778
Energy: 1.339897328065072
Energy: 1.351351340609804
Energy: 1.3351432612921856
Energy: 1.3344353118877255
Energy: 1.3279315767499384
Energy: 1.3683766264304813
Energy: 1.3360101082537519
Energy: 1.334961164265549
Energy: 1.335895062449109
Energy: 1.3283031742007525
Energy: 1.326155230887052
Energy: 1.3451965120751335
Energy: 1.3352266470681167
Energy: 1.3376919389456463
Energy: 1.339445781784192
Energy: 1.3253161530737116
Energy: 1.3309165217446342
Energy: 1.3317761235055858
Energy: 1.3651366278161448
Energy: 1.3386525564022151
Energy: 1.3248426447826795
Energy: 1.3305038852685864
Energy: 1.336033170287964
Energy: 1.336970839691999
Energy: 1.328725769940875
Energy: 1.3300020158989605
Energy: 1.3369825360116545
Energy: 1.3317397878581567
Energy: 1.3364911880934671
Energy: 1.329090684334014
Energy: 1.3293017605040052
Energy: 1.3362978226715798
Energy: 1.3291964410794845
Energy: 1.3298651868143387
Energy: 1.3371150553778848
Energy: 1.340788621374652
Energy: 1.3400518845177427
Energy: 1.3301511866818674
Energy: 1.3296981610283196
Energy: 1.3377547910896177
Energy: 1.341122807595932
Energy: 1.336995746854812
Energy: 1.3491074728491674
Energy: 1.348766501464057
Energy: 1.3293119367481887
Energy: 1.3392887139533354
Energy: 1.3334047658769752
Energy: 1.34596515213809
Energy: 1.3500977457760235
Energy: 1.3292293908917792
Energy: 1.3373863200437395
Energy: 1.3334354351413162
Energy: 1.3452959719691557
Energy: 1.3385770280091431
Energy: 1.3471015985274202
Energy: 1.3419831979899448
Energy: 1.3380574983944722
Energy: 1.3424174130191757
Energy: 1.3364621276221675
Energy: 1.3427234606914054
Energy: 1.3403811136194277
Energy: 1.3311742268126192
Energy: 1.3375646248774877
Energy: 1.3427169523356448
Energy: 1.3447596397430834
Energy: 1.3553625196961467
Energy: 1.329035916141413
Energy: 1.3361104378614406
Energy: 1.3423138276125097
Energy: 1.3444767178602082
Energy: 1.3535297971128604
Energy: 1.3289540118156355
Energy: 1.3458101201539197
Energy: 1.3405606281841704
Energy: 1.347869765741499
Energy: 1.3486835145197846
Energy: 1.3306355400446634
Energy: 1.3441898635807614
Energy: 1.3402651809294273
Energy: 1.346107915384914
Energy: 1.347513328546688
Energy: 1.3340301053421881
Energy: 1.3294851650468513
Energy: 1.3291098316524435
Energy: 1.3487588698640585
Energy: 1.3454910752449178
Energy: 1.3555516175541666
Energy: 1.3428538928785447
Energy: 1.326815841922957
Energy: 1.3424851173526446
Energy: 1.3457764688225737
Energy: 1.350744741705961
Energy: 1.3332889772827934
Energy: 1.3483203865539084
Energy: 1.3447359109043084
Energy: 1.3308987206400718
Energy: 1.3356729333077557
Energy: 1.3332666479336812
Energy: 1.3518327851918843
Energy: 1.344161997244726
Energy: 1.3301880237036796
Energy: 1.34556218778756
Energy: 1.3510343376682834
Energy: 1.3331281491966487
Energy: 1.3350432627613036
Energy: 1.3414890691462271
Energy: 1.327466587643665
Energy: 1.3491486300744218
Energy: 1.3335205762681321
Energy: 1.3489541251565411
Energy: 1.3410029932149234
Energy: 1.3488330256840588
Energy: 1.3437331452619472
Energy: 1.3439376292648828
Energy: 1.3484042090001827
Energy: 1.340714471004339
Energy: 1.3484938778432818
Energy: 1.3832132971342317
Energy: 1.3429343851959141
Energy: 1.3484034180816817
Energy: 1.3411555975338185
Energy: 1.347367677292923
Energy: 1.3512097260810878
Energy: 1.3425923271422822
Energy: 1.3654747249627195
Energy: 1.341819562158986
Energy: 1.3494200726857166
Energy: 1.3565567236682616
Energy: 1.3428061810110712
Energy: 1.3662589527126707
Energy: 1.3416151482172862
Energy: 1.350628613929501
Energy: 1.344202019054749
Energy: 1.3607074655762001
Energy: 1.3302593884737484
Energy: 1.337298793506553
Energy: 1.3523131159767467
Energy: 1.3415640029986482
Energy: 1.3617566839215387
Energy: 1.3384478076629616
Energy: 1.3370579161669602
Energy: 1.3529325669967898
Energy: 1.3926359676732103
Energy: 1.3360037519510874
Energy: 1.354360054753554
Energy: 1.3484231297048526
Energy: 1.3414506071314567
Energy: 1.3478071088311996
Energy: 1.3303322058576899
Energy: 1.3264038722662381
Energy: 1.3487147782089013
Energy: 1.350101085235408
Energy: 1.3454700724012723
Energy: 1.360141280867228
Energy: 1.3472608083863675
Energy: 1.346142144606452
Energy: 1.3661883080804387
Energy: 1.3527920058117548
Energy: 1.3612023205666026
Energy: 1.3584468093958273
Energy: 1.345601782182244
Energy: 1.3634399774543378
Energy: 1.3467963683660722
Energy: 1.330286885809406
Energy: 1.3296443542294898
Energy: 1.3437422150438156
Energy: 1.345991270639703
Energy: 1.3448801573903026
Energy: 1.330331294678889
Energy: 1.3310376296398903
Energy: 1.3446738967550673
Energy: 1.354816639293189
Energy: 1.3361050781858599
Energy: 1.32627414498385
Energy: 1.344997966129197
Energy: 1.3438290219156654
Energy: 1.345741149709267
Energy: 1.3370915763034021
Energy: 1.3667850699011157
Energy: 1.3440766801182367
Energy: 1.3446697100686351
Energy: 1.3429906375502518
Energy: 1.352442029163136
Energy: 1.3356345223216493
Energy: 1.334506957587945
Energy: 1.3491697866904708
Energy: 1.3497365313841307
Energy: 1.3473964214272156
Energy: 1.3409894853361537
Energy: 1.3352060792747464
Energy: 1.3499020783485942
Energy: 1.350501831066182
Energy: 1.3348980396875851
Energy: 1.3265225954988793
Energy: 1.3363786687888148
Energy: 1.3263912887570404
Energy: 1.3356411244457413
Energy: 1.3270782609184046
Energy: 1.3268933023098113
Energy: 1.3477545929911507
Energy: 1.3272634184208971
Energy: 1.335477522046277
Energy: 1.3504625273925253
Energy: 1.3331558597274407
Energy: 1.335278499081252
Energy: 1.3344318509133746
Energy: 1.3325167348949645
Energy: 1.3466853228459015
Energy: 1.3380850941731754
Energy: 1.3341213564018222
Energy: 1.4265057466575388
Energy: 1.32990056555982
Energy: 1.3560866316661773
Energy: 1.329529569531198
Energy: 1.3310135130077427
Energy: 1.3457758453246653
Energy: 1.3464513046298483
Energy: 1.359834302318412
Energy: 1.3286974598378398
Energy: 1.332390321690868
Energy: 1.3353988130927472
Energy: 1.3365060814332899
Energy: 1.345926767443222
Energy: 1.3398605092309277
Energy: 1.3429511527481803
Energy: 1.3387139444447222
Energy: 1.3286540495865498
Energy: 1.3302629678022713
Energy: 1.3391764222316505
Energy: 1.344592351264708
Energy: 1.326763025137099
Energy: 1.3287204423520398
Energy: 1.333828927598164
Energy: 1.3330342351824156
Energy: 1.3406259047759694
Energy: 1.3354521200731613
Energy: 1.3391821924865908
Energy: 1.3344324743527274
Energy: 1.33255954200824
Energy: 1.3376586004737816
Energy: 1.335496892626986
Energy: 1.3497485000775116
Energy: 1.3344829438828398
Energy: 1.3464687861127178
Energy: 1.3416794483182557
Energy: 1.3343591672403925
Energy: 1.346752763241949
Energy: 1.335387345354608
Energy: 1.3455403454964179
Energy: 1.3425893175675228
Energy: 1.33543424495138
Energy: 1.3898644625941574
Energy: 1.3355916086646409
Energy: 1.3293718290905436
Energy: 1.3292828196290816
Energy: 1.3351871449549992
Energy: 1.3603230023172392
Energy: 1.3349825615320152
Energy: 1.3291348137657515
Energy: 1.3307845710020902
Energy: 1.3398418156295002
Energy: 1.3505726240428664
Energy: 1.347677205735293
Energy: 1.349108610706652
Energy: 1.3362105202254173
Energy: 1.3433934582357958
Energy: 1.3480068196180688
Energy: 1.349484114365556
Energy: 1.3488718759525031
Energy: 1.3354230175378954
Energy: 1.3452484737805968
Energy: 1.346220707607212
Energy: 1.3436313659783965
Energy: 1.3381277599082673
Energy: 1.3447747517975954
Energy: 1.3469803580371498
Energy: 1.3358641806588079
Energy: 1.3495822587623907
Energy: 1.3446749749671008
Energy: 1.3448374286595475
Energy: 1.3490702573068258
Energy: 1.3355230580793844
Energy: 1.3315021170880654
Energy: 1.3301093095193168
Energy: 1.3577351312416102
Energy: 1.3556091994296755
Energy: 1.3453104821709594
Energy: 1.330228118303917
Energy: 1.3414689890969218
Energy: 1.3441189370052224
Energy: 1.3557252220565819
Energy: 1.3456890780856823
Energy: 1.3510804090845214
Energy: 1.336157133150114
Energy: 1.3480929943797542
Energy: 1.3499954974469157
Energy: 1.3549705554712248
Energy: 1.3534792917839054
Energy: 1.3391029344582046
Energy: 1.3473744620491466
Energy: 1.3523560061496647
Energy: 1.3555263529248922
Energy: 1.3291578492696232
Energy: 1.355677020519334
Energy: 1.350064538169884
Energy: 1.3566566640946405
Energy: 1.3444821374455636
Energy: 1.3976269549469733
Energy: 1.3555462025035372
Energy: 1.3565782805739635
Energy: 1.356951833583259
Energy: 1.3450325243413115

minimum gb energy = 1.3248426447826795 eV
minimum distance =  2.29527706831261 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.8066628908453721
Energy: 1.808269891675759
Energy: 1.8502342523519701
Energy: 1.8285712723978866
Energy: 1.81037395499657
Energy: 1.8078701208363575
Energy: 1.8302869171736589
Energy: 1.8527517327691991
Energy: 1.8292772169303346
Energy: 1.840050416772351
Energy: 1.8432978065279104
Energy: 1.8237170123439408
Energy: 1.8217415662351222
Energy: 1.8216248480663646
Energy: 1.8582174463182097
Energy: 1.83570236299302
Energy: 1.8241953277423368
Energy: 1.824772227386588
Energy: 1.8232203768039679
Energy: 1.8584647799901481
Energy: 1.859167816786193
Energy: 1.8213527700568124
Energy: 1.8182649563884723
Energy: 1.8548460660807755
Energy: 1.8384574139302845
Energy: 1.836824949413923
Energy: 1.8236576902984578
Energy: 1.818145104028976
Energy: 1.8526727229459605
Energy: 1.8371624867074154
Energy: 1.8636604651993214
Energy: 1.8688181922726153
Energy: 1.8224671946198843
Energy: 1.8324981098689035
Energy: 1.8394783154706114
Energy: 1.8352645331047812
Energy: 1.869871532414772
Energy: 1.8243178753138136
Energy: 1.832094263426707
Energy: 1.8439985579768887
Energy: 1.833086972432353
Energy: 1.8296607813974846
Energy: 1.8192423727473124
Energy: 1.8337626678866035
Energy: 1.8333390164160595
Energy: 1.8324992482908564
Energy: 1.8123232447676083
Energy: 1.818775023298534
Energy: 1.8331938696066905
Energy: 1.833813350487728
Energy: 1.84736694997378
Energy: 1.836265863780141
Energy: 1.823762938745272
Energy: 1.8604743933283339
Energy: 1.8485818486518433
Energy: 1.8446518854531695
Energy: 1.8372254296462847
Energy: 1.8219725335290373
Energy: 1.8606019989283964
Energy: 1.859534606175012
Energy: 1.8095086967978342
Energy: 1.8166829508120024
Energy: 1.8583554838262881
Energy: 1.8996849112519296
Energy: 1.8219994981725176
Energy: 1.8107915607320952
Energy: 1.8194064945504356
Energy: 1.8585992597435697
Energy: 1.8557763585215519
Energy: 1.8262418504739237
Energy: 1.8591423297354386
Energy: 1.814830849063438
Energy: 1.8228987923445965
Energy: 1.8313478770552083
Energy: 1.8380721135104126
Energy: 1.8513164588118747
Energy: 1.8086436720800032
Energy: 1.8216329014998374
Energy: 1.8348728190795662
Energy: 1.8388766528096567
Energy: 1.8402515346568964
Energy: 1.8469860459809477
Energy: 1.8233459213240275
Energy: 1.8220066394769023
Energy: 1.834415922001882
Energy: 1.8396624706893991
Energy: 1.8500768237347356
Energy: 1.8261940373553582
Energy: 1.8240708093105509
Energy: 1.8335432983616877

minimum gb energy = 1.8066628908453721 eV
minimum distance =  2.27691761620691 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 2.131226947988629
Energy: 2.0524405134274177
Energy: 2.1499446924118786
Energy: 2.0660387754287943
Energy: 2.098367855810021
Energy: 2.051717457140603
Energy: 2.0768738584463637
Energy: 2.102434641369849
Energy: 2.0658634633473802
Energy: 2.0982963862961386
Energy: 2.0490564836427936
Energy: 2.068626456101383
Energy: 2.0689602200054837
Energy: 2.0672335853906985
Energy: 2.07136794646899
Energy: 2.0946697423462375
Energy: 2.0681711474992333
Energy: 2.0715368608225715
Energy: 2.0673421586921186
Energy: 2.074300559166969
Energy: 2.0760450368097505
Energy: 2.0707952840689847
Energy: 2.0669803195024556
Energy: 2.0731878610074017
Energy: 2.122769446579612
Energy: 2.0938858036946404
Energy: 2.0722246635250854
Energy: 2.0676971738727175
Energy: 2.074677739609551
Energy: 2.1215722051320287
Energy: 2.087462811469096
Energy: 2.14603231110707
Energy: 2.0876270725833215
Energy: 2.11283225676566
Energy: 2.0481056520326937
Energy: 2.0869482851455996
Energy: 2.1351959410751133
Energy: 2.087092236056174
Energy: 2.0926427895469164
Energy: 2.1229801899159866
Energy: 2.1208671154756567
Energy: 2.0458866826615187
Energy: 2.0410096324247955
Energy: 2.0692615075771514
Energy: 2.0651711558128034
Energy: 2.1220472572296405
Energy: 2.0461142895138216
Energy: 2.058401551170706
Energy: 2.067500229278855
Energy: 2.0644861950095827
Energy: 2.068754757163999
Energy: 2.164728774796692
Energy: 2.0706958763802796
Energy: 2.0836539136890764
Energy: 2.074928370585977
Energy: 2.0704638930340256
Energy: 2.0696785381008818
Energy: 2.1369124848531578
Energy: 2.091541972893575
Energy: 2.0659908839374777
Energy: 2.2090567491024022
Energy: 2.0481659534524357
Energy: 2.070768539599306
Energy: 2.068463995506678
Energy: 2.075840882503845
Energy: 2.0834259159064943
Energy: 2.0707120261976186
Energy: 2.067776024608778
Energy: 2.0689263161439135
Energy: 2.07639485649362
Energy: 2.0666469283976845
Energy: 2.067043932197551
Energy: 2.0637243777739176
Energy: 2.1324281942247936
Energy: 2.0677109776967257
Energy: 2.0668420389654028
Energy: 2.066619742528599
Energy: 2.06430387968474
Energy: 2.1286742644686982
Energy: 2.0697119963351813
Energy: 2.1219795263996386
Energy: 2.0514120973022356
Energy: 2.133379989908713
Energy: 2.067641047081013
Energy: 2.1641388453368906
Energy: 2.0681929670173815
Energy: 2.1298016180539756
Energy: 2.0658247365035307
Energy: 2.1252141420656265
Energy: 2.1806330363000317
Energy: 2.081404582593568
Energy: 2.087118819449202
Energy: 2.1091484010827237
Energy: 2.0648363705961015
Energy: 2.0843243772374387
Energy: 2.0829085227909117
Energy: 2.083202508309171
Energy: 2.0921839012113446
Energy: 2.0727059633695544
Energy: 2.0967499603007735
Energy: 2.0450759294149807
Energy: 2.107060993306494
Energy: 2.048972562566796
Energy: 2.04474847915181
Energy: 2.093572436491159
Energy: 2.046745815416816
Energy: 2.1155243588846537
Energy: 2.0497303325318934
Energy: 2.0442114176755886
Energy: 2.0942581662789794
Energy: 2.0520662007131656
Energy: 2.0487117501152743
Energy: 2.1462773858621307
Energy: 2.0851555490718092
Energy: 2.049006628103549
Energy: 2.0533227125751843
Energy: 2.051308135566877
Energy: 2.1282327482796806
Energy: 2.086910194000481
Energy: 2.046314402451647
Energy: 2.048613499155254
Energy: 2.1795151058240645
Energy: 2.0538475520290325
Energy: 2.050266577091849
Energy: 2.056763171198117
Energy: 2.0477073592384394
Energy: 2.17872343445743
Energy: 2.051416445022134
Energy: 2.0497617251428792
Energy: 2.058369420452547
Energy: 2.0505946772473624
Energy: 2.0701957235463753
Energy: 2.159257163571357
Energy: 2.0460576915767574
Energy: 2.1937014612625454
Energy: 2.051594644492807
Energy: 2.0704440430001045
Energy: 2.180919812823668
Energy: 2.045439561931482
Energy: 2.1965350850710044
Energy: 2.0457611056955165
Energy: 2.1231667324118972
Energy: 2.06975491915871
Energy: 2.0830693265193165
Energy: 2.0511210163312787
Energy: 2.1329629815674394
Energy: 2.1236975684060186
Energy: 2.1099047179535653
Energy: 2.1060897782165586
Energy: 2.194914259168168
Energy: 2.066233286563861
Energy: 2.0693739672295854
Energy: 2.064373796956682
Energy: 2.094994243658594
Energy: 2.0684242294881434
Energy: 2.069147889673633
Energy: 2.070431746543621
Energy: 2.066186449141012
Energy: 2.0945839174486536
Energy: 2.0675604546990036
Energy: 2.068131648787725
Energy: 2.1081060686033255
Energy: 2.069746688182873
Energy: 2.051181705082291
Energy: 2.096567216395708
Energy: 2.070023234352522
Energy: 2.175456208542276
Energy: 2.070491518565319
Energy: 2.0628264976326722
Energy: 2.0984146413350913
Energy: 2.065365982993244
Energy: 2.068121597863178
Energy: 2.063837133766242
Energy: 2.0952800372000957
Energy: 2.070774555676439
Energy: 2.066591333998158
Energy: 2.0706165386607895
Energy: 2.0635570312641978
Energy: 2.076904625590298
Energy: 2.0688295130201415
Energy: 2.0689328895426824
Energy: 2.070602278361819
Energy: 2.0769794090406766
Energy: 2.050793826680895
Energy: 2.1217000503091645
Energy: 2.0705625617364767
Energy: 2.071045873317044
Energy: 2.074430499706488
Energy: 2.049996766990408
Energy: 2.0741596081365685
Energy: 2.041021657018891
Energy: 2.137376006494575
Energy: 2.0461263111985586
Energy: 2.0463222736950133
Energy: 2.1371725784880846
Energy: 2.0412169572201924
Energy: 2.1379226609065682
Energy: 2.0453649939138647
Energy: 2.0464776436052676
Energy: 2.136766567559542
Energy: 2.039431314388269
Energy: 2.0766111435369337
Energy: 2.0698370541171047
Energy: 2.07054507757502
Energy: 2.1406536298205916
Energy: 2.0430594271243057
Energy: 2.0761008662601164
Energy: 2.0689737426407273
Energy: 2.121282050781029
Energy: 2.1021417044369612
Energy: 2.065414593982375
Energy: 2.088840513421351
Energy: 2.0745402698703943
Energy: 2.0679543607728883
Energy: 2.0930813050287376
Energy: 2.0654343271356255
Energy: 2.085403888235199
Energy: 2.0720140738240773
Energy: 2.0676966828899155
Energy: 2.0910184600876147
Energy: 2.117499235727813
Energy: 2.069450739535601
Energy: 2.0736359537038775
Energy: 2.0962246825651016
Energy: 2.0661936387213746
Energy: 2.0675554960624036
Energy: 2.071247788815573
Energy: 2.0751507255701687
Energy: 2.0956650178156444
Energy: 2.063457917996567
Energy: 2.0685795835221943
Energy: 2.08753064357104
Energy: 2.089870903315554
Energy: 2.065432832026035
Energy: 2.06399205989371
Energy: 2.066464719698474
Energy: 2.0854044031269052
Energy: 2.0722754529892806
Energy: 2.066334093405693
Energy: 2.0655262684073685
Energy: 2.109641770755226
Energy: 2.0886112929953597
Energy: 2.1621071888337275
Energy: 2.123176082374662
Energy: 2.0901189578842354
Energy: 2.109868459918304
Energy: 2.0682846351595914
Energy: 2.1642041529605827
Energy: 2.122196753172001
Energy: 2.090123358939846
Energy: 2.1207945996963553
Energy: 2.1229260738594733
Energy: 2.0846463358395733
Energy: 2.0832933651894634
Energy: 2.0902795429073624
Energy: 2.162263116988323
Energy: 2.12226152752745
Energy: 2.082506026607408
Energy: 2.0825430472247155
Energy: 2.084901418954973
Energy: 2.15463055884756
Energy: 2.0528119954535353
Energy: 2.110849568863707
Energy: 2.0461368838382255
Energy: 2.106019726768141
Energy: 2.1120227199859167
Energy: 2.050932786160328
Energy: 2.1095642216616395
Energy: 2.0450359012219677
Energy: 2.1061407175464004
Energy: 2.0714551896042974
Energy: 2.0795105437287438
Energy: 2.0528659128521407
Energy: 2.0548964575995017
Energy: 2.0476411441227804
Energy: 2.0730223516748243
Energy: 2.086424686027229
Energy: 2.051987541685828
Energy: 2.0528289321383633
Energy: 2.0488200425127325
Energy: 2.06660493527364
Energy: 2.1090828939111375
Energy: 2.0503701078472067
Energy: 2.047952861322667
Energy: 2.0906629897948803
Energy: 2.0661343243403008
Energy: 2.1072867888061264
Energy: 2.049423220339578
Energy: 2.0473717255841852
Energy: 2.1255956528110174
Energy: 2.0835669765029814
Energy: 2.2050678737003637
Energy: 2.1801043145661674
Energy: 2.0503059020438124
Energy: 2.118550252773327
Energy: 2.081306505003559
Energy: 2.2012943378322043
Energy: 2.1962432142729233
Energy: 2.0500330645874683
Energy: 2.089925702421025
Energy: 2.062725330777513
Energy: 2.170100067679062
Energy: 2.0529595036732795
Energy: 2.041081078423639
Energy: 2.1244621858806774
Energy: 2.064135828839007
Energy: 2.1491856891268544
Energy: 2.0477988468468853
Energy: 2.0410134762549164
Energy: 2.12498081343714
Energy: 2.068299118949395
Energy: 2.078479615008483
Energy: 2.0691157030665224
Energy: 2.0577644791354692
Energy: 2.1626069160598855
Energy: 2.068295052666554
Energy: 2.1611491241005805
Energy: 2.070451707971558
Energy: 2.085004918619265
Energy: 2.0722187030835832
Energy: 2.171487801122498
Energy: 2.11542879586253
Energy: 2.0423457566757173
Energy: 2.0642033448743056
Energy: 2.1273433583155015
Energy: 2.1743672787298216
Energy: 2.115138964917126
Energy: 2.041392491215818
Energy: 2.0628252195112706
Energy: 2.159134900705059
Energy: 2.0708640949026136
Energy: 2.0759302792100534
Energy: 2.093285327058111
Energy: 2.064994982166879
Energy: 2.0713281301600066
Energy: 2.0655108279226084
Energy: 2.0627436048888486
Energy: 2.192857217830821
Energy: 2.06517347695217
Energy: 2.0682683461108127
Energy: 2.0891168702104284
Energy: 2.0670879723613074
Energy: 2.1791361823881013
Energy: 2.0690638033283926
Energy: 2.0678832011957557
Energy: 2.1377373744344554
Energy: 2.070266582480724
Energy: 2.1200999902366466
Energy: 2.06705557585388
Energy: 2.070097949451965
Energy: 2.1119113873667246
Energy: 2.0444540544281713
Energy: 2.141614824685888
Energy: 2.0684084422591846
Energy: 2.107397949877824
Energy: 2.0903010091225886
Energy: 2.0447500980028446
Energy: 2.140225094278931
Energy: 2.0658992298215733
Energy: 2.107351948273602
Energy: 2.1061610123883794
Energy: 2.0662243426326112
Energy: 2.1385568727556237
Energy: 2.0409150447609004
Energy: 2.116212711099025
Energy: 2.1064630272438163
Energy: 2.0690994856889966
Energy: 2.141128959504787
Energy: 2.0398779902929216
Energy: 2.115475720312348
Energy: 2.073988406441311
Energy: 2.0699779332998185
Energy: 2.120346793308428
Energy: 2.068066734398099
Energy: 2.1235539652758217
Energy: 2.0691990776681912
Energy: 2.0721411359345394
Energy: 2.1201277145415607
Energy: 2.0679542592989852
Energy: 2.1123155216222274
Energy: 2.069153429217451
Energy: 2.0849429277761446
Energy: 2.1780044791765616
Energy: 2.0699401110090303
Energy: 2.06494957463953
Energy: 2.071595554696882
Energy: 2.0712258980726355
Energy: 2.115547166035749
Energy: 2.0669941507089935
Energy: 2.070641532444028
Energy: 2.1593172624506174
Energy: 2.06457576455495
Energy: 2.0527951323179368
Energy: 2.08393274140543
Energy: 2.0828342825286565
Energy: 2.161624400640969
Energy: 2.066148711247222
Energy: 2.054710652173658
Energy: 2.081375228708659
Energy: 2.081332664510338
Energy: 2.094007683335164
Energy: 2.117782439344535
Energy: 2.0703727922276998
Energy: 2.1590392800345852
Energy: 2.0671355706976886
Energy: 2.0967382489817683
Energy: 2.071543948747336
Energy: 2.0741788271019184
Energy: 2.0821917285069125
Energy: 2.066995502623276
Energy: 2.1499946296284245
Energy: 2.0499479822226268
Energy: 2.0700086407282283
Energy: 2.1525784251001916
Energy: 2.064369054231097
Energy: 2.064700526460463
Energy: 2.0827419769669926
Energy: 2.0718584398316664
Energy: 2.122810860531317
Energy: 2.063208637268076
Energy: 2.1733907231780853
Energy: 2.1084221388837623
Energy: 2.1244186914199963
Energy: 2.1626961776457962
Energy: 2.097395488220347
Energy: 2.125103497652227
Energy: 2.108207431520765
Energy: 2.1310431901721016
Energy: 2.1484870463910157
Energy: 2.0555246293300202
Energy: 2.089554834223906
Energy: 2.046999468039265
Energy: 2.050432235199285
Energy: 2.107277571504013
Energy: 2.038605457003809
Energy: 2.053060095612196
Energy: 2.048079827763711
Energy: 2.0527155061306783
Energy: 2.1086337958376684
Energy: 2.0381129387284944
Energy: 2.0491558613250316
Energy: 2.0536313018797223
Energy: 2.0522173462466133
Energy: 2.0697677544305773
Energy: 2.069873880910713
Energy: 2.0507967773425317
Energy: 2.0560649668733535
Energy: 2.051760898193019
Energy: 2.0651666076465927
Energy: 2.0686072118876617
Energy: 2.106684146618217
Energy: 2.0695188424293347
Energy: 2.1137628704393725
Energy: 2.0439746518397586
Energy: 2.0982345740987514
Energy: 2.106014298336091
Energy: 2.0707220224656284
Energy: 2.116626152336941
Energy: 2.0455113438688333
Energy: 2.099124518973417
Energy: 2.1144988841889436
Energy: 2.044673786133185
Energy: 2.092527019939026
Energy: 2.121218876687289
Energy: 2.1635349223238944
Energy: 2.054575235232133
Energy: 2.041869004287775
Energy: 2.1024585976560433
Energy: 2.1266788195314272
Energy: 2.1658367402555974
Energy: 2.050759088599519
Energy: 2.1213366851081976
Energy: 2.0774494136696067
Energy: 2.0670158761423116
Energy: 2.1085641871865235
Energy: 2.0493416098852277
Energy: 2.1221745979456923
Energy: 2.076169803331113
Energy: 2.0888436883688994
Energy: 2.1096740919322134
Energy: 2.0364676577765084
Energy: 2.0755453549030016
Energy: 2.06998232817456
Energy: 2.0770768843421235
Energy: 2.0688040027251047
Energy: 2.0388605739397176
Energy: 2.0740287411862464
Energy: 2.071852537805206
Energy: 2.0791819222587056
Energy: 2.055761319182887

minimum gb energy = 2.0364676577765084 eV
minimum distance =  2.24501106599427 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

Energy: 2.034649693036632
Energy: 2.0356504282730192
Energy: 2.1051361461197677
Energy: 2.0363417435576703
Energy: 2.0296256707544065
Energy: 2.02871591518931
Energy: 2.090237035145973
Energy: 2.1067845810466643
Energy: 2.0782502859995455
Energy: 2.0323655707240293
Energy: 2.0279188442474463
Energy: 2.0358159399761124
Energy: 2.03982781782719
Energy: 2.038794971956336
Energy: 2.0935010702473424
Energy: 2.0375451656256245
Energy: 2.0359121261229607
Energy: 2.0390899526213215
Energy: 2.038125259631293
Energy: 2.0349170033415875
Energy: 2.09875286580228
Energy: 2.037613323284347
Energy: 2.035463052091501
Energy: 2.136628751800047
Energy: 2.1050324936038316
Energy: 2.099717093241785
Energy: 2.039933274117116
Energy: 2.0355332232256895
Energy: 2.136534523896358
Energy: 2.102806826432879
Energy: 2.0908686052609404
Energy: 2.124589606597039
Energy: 2.0316508607045245
Energy: 2.0996735238773514
Energy: 2.034818833144724
Energy: 2.08983781257663
Energy: 2.124159460021563
Energy: 2.032059135556666
Energy: 2.099570435452081
Energy: 2.1089648104053373
Energy: 2.1281829538150294
Energy: 2.0316307014756743
Energy: 2.0329322936738
Energy: 2.1238952625973533
Energy: 2.0362593441460155
Energy: 2.128679098695338
Energy: 2.0310508810238996
Energy: 2.030856326854729
Energy: 2.13793896894293
Energy: 2.036647993750639
Energy: 2.0388399182619343
Energy: 2.0780845051535537
Energy: 2.092218186337879
Energy: 2.0913130428994195
Energy: 2.0351835718003883
Energy: 2.0401991143019393
Energy: 2.1081894344286747
Energy: 2.1032491230178088
Energy: 2.0902947870369126
Energy: 2.034835114147531
Energy: 2.0865234283677614
Energy: 2.0354901761385604
Energy: 2.078456102934318
Energy: 2.036764163276986
Energy: 2.0356395840207697
Energy: 2.08595283836883
Energy: 2.0356458804837425
Energy: 2.040514879232047
Energy: 2.0378804651895317
Energy: 2.0928890430091984
Energy: 2.080742718582496
Energy: 2.081073657755
Energy: 2.13842249798678
Energy: 2.13922284810536
Energy: 2.036929391139801
Energy: 2.042435515468327
Energy: 2.032310126188057
Energy: 2.035983084635914
Energy: 2.137019803824469
Energy: 2.0374931151345397
Energy: 2.1062627140809327
Energy: 2.0379045289373123
Energy: 2.1372766111496673
Energy: 2.036213591597551
Energy: 2.1972484722064807
Energy: 2.103980221420014
Energy: 2.039553230064061
Energy: 2.0391505071138556
Energy: 2.0292996907353045
Energy: 2.1983760575370677
Energy: 2.0813054459051084
Energy: 2.0375516780300913
Energy: 2.0705838089547686
Energy: 2.0349911630447
Energy: 2.0371166343461113
Energy: 2.089040788624097
Energy: 2.1396797648214694
Energy: 2.0276518545002564
Energy: 2.0348266230354657
Energy: 2.037397985418031
Energy: 2.138764885361534
Energy: 2.079412655164769
Energy: 2.026836535414081
Energy: 2.0310192846414594
Energy: 2.079797689021206
Energy: 2.1372127670580436
Energy: 2.0814134346290434
Energy: 2.0283465804436847
Energy: 2.027102373880481
Energy: 2.079396005225404
Energy: 2.0345107501063806
Energy: 2.037659032319879
Energy: 2.0351611682976203
Energy: 2.0414602375787787
Energy: 2.0357198336306364
Energy: 2.0360626855251627
Energy: 2.03776744607883
Energy: 2.0354436415209225
Energy: 2.040158780640083
Energy: 2.0358632719022256
Energy: 2.13833094463966
Energy: 2.185377457119632
Energy: 2.0333249101977398
Energy: 2.1303446664335803
Energy: 2.0356666820648264
Energy: 2.138672692305016
Energy: 2.0877400549851446
Energy: 2.0318358720490317
Energy: 2.1293200411725595
Energy: 2.0357706265033464
Energy: 2.0973457412631764
Energy: 2.0378966002907535
Energy: 2.0884435845016975
Energy: 2.0960644828972668
Energy: 2.033079097562421
Energy: 2.100129154056083
Energy: 2.031993398714901
Energy: 2.0876004191584423
Energy: 2.09560799274295
Energy: 2.0318461357363637
Energy: 2.029965730076283
Energy: 2.037726460737156
Energy: 2.0390962358452
Energy: 2.100308701177187
Energy: 2.0331028516664302
Energy: 2.0929170045239487
Energy: 2.035752364699087
Energy: 2.0406924418364762
Energy: 2.1004971293082795
Energy: 2.0324368928684007
Energy: 2.0415880355725995
Energy: 2.086964386336979
Energy: 2.035569827910746
Energy: 2.041231287016116
Energy: 2.0355928630092475
Energy: 2.0912693842331422
Energy: 2.0415523376656917
Energy: 2.035887636970845
Energy: 2.0369995010390665
Energy: 2.0359175991097125
Energy: 2.0375008139519157
Energy: 2.140193730899488
Energy: 2.2034789185091173
Energy: 2.128847610015084
Energy: 2.038780221176042
Energy: 2.035404928734423
Energy: 2.137345680323512
Energy: 2.2054212784162615
Energy: 2.0821372054636393
Energy: 2.0305942006404956
Energy: 2.0348602875489394
Energy: 2.1357480698571223
Energy: 2.038965658641024
Energy: 2.099090396007914
Energy: 2.1371855412624465
Energy: 2.0286833646734816
Energy: 2.1358282207912365
Energy: 2.038657013977037
Energy: 2.099686901770281
Energy: 2.1371841734447123
Energy: 2.0375210214369712
Energy: 2.1079915383352508
Energy: 2.1629203949329683
Energy: 2.0352705320948554
Energy: 2.1391159193685922
Energy: 2.0363935775948923
Energy: 2.165569611689833
Energy: 2.1625191560539134
Energy: 2.0358128662132677
Energy: 2.0687145759615913
Energy: 2.0274408756146634
Energy: 2.0389193603956905
Energy: 2.037864483609998
Energy: 2.092039439308908
Energy: 2.137358966426225
Energy: 2.12867055305479
Energy: 2.0391422083364783
Energy: 2.038751768703357
Energy: 2.041014235889441
Energy: 2.137261737880626
Energy: 2.0287826282689343
Energy: 2.072098494677367
Energy: 2.135230189577433
Energy: 2.0356312328540933
Energy: 2.1317173927039836
Energy: 2.031524690225857
Energy: 2.075617378391038
Energy: 2.13636693506219
Energy: 2.0351967147574155
Energy: 2.037175146967059
Energy: 2.0372650945125304
Energy: 2.036655513942253
Energy: 2.0377470220677245
Energy: 2.093110755207101
Energy: 2.036507116076039
Energy: 2.036845052514448
Energy: 2.035762485952847
Energy: 2.0398304378945906
Energy: 2.091974797938318
Energy: 2.0359058128431777
Energy: 2.0968287675871355
Energy: 2.037926108200068
Energy: 2.037062177453662
Energy: 2.1745478449888775
Energy: 2.1615802012743712
Energy: 2.099796294492535
Energy: 2.042118411024904
Energy: 2.036264769095586
Energy: 2.0480460198573147
Energy: 2.102393464176547
Energy: 2.0940998125111
Energy: 2.0305198212980025
Energy: 2.030955525139953
Energy: 2.057502319551708
Energy: 2.1007392576755075
Energy: 2.0987239820281762
Energy: 2.0309715975099776
Energy: 2.03084373224257
Energy: 2.1027249255566787
Energy: 2.104214265769366
Energy: 2.128144411038348
Energy: 2.032362637268504
Energy: 2.125501964659926
Energy: 2.1389033826531185
Energy: 2.035288714293889
Energy: 2.128742519805444
Energy: 2.031415562397833
Energy: 2.0359048810950036
Energy: 2.1381457571223335
Energy: 2.0352316590195487
Energy: 2.0374081055914006
Energy: 2.13867332966189
Energy: 2.0368130531490753
Energy: 2.0886029834558264
Energy: 2.036104633880949
Energy: 2.038474619038139
Energy: 2.035538305468167
Energy: 2.036924133913224
Energy: 2.088118042624788
Energy: 2.0355689484182955
Energy: 2.031576004155605
Energy: 2.031824840876651
Energy: 2.0824067171756173
Energy: 2.0356306665593995
Energy: 2.0782589154177744
Energy: 2.0368081724214635
Energy: 2.0328162999285966
Energy: 2.080753988883081
Energy: 2.039208112379063
Energy: 2.078266162166949
Energy: 2.0364302446074367
Energy: 2.037004102429003
Energy: 2.1378349970991577
Energy: 2.13489831748935
Energy: 2.028161443674583
Energy: 2.034818676731287
Energy: 2.040800720098547
Energy: 2.139281153060236
Energy: 2.133052919078523
Energy: 2.037706896009227
Energy: 2.106945294044646
Energy: 2.038475367101625
Energy: 2.137429856786983
Energy: 2.103227297530151
Energy: 2.186869943043294
Energy: 2.105409868100367
Energy: 2.0394574323381884
Energy: 2.0383391754338884
Energy: 2.1031234104223384
Energy: 2.0905406439167455
Energy: 2.0403655730708072
Energy: 2.0365758872549105
Energy: 2.2087519702938403
Energy: 2.0267844078829724
Energy: 2.0376489588207094
Energy: 2.036428445396156
Energy: 2.0360344283291707
Energy: 2.027444043653539
Energy: 2.0280798118771948
Energy: 2.0374371502021553
Energy: 2.0401558832565314
Energy: 2.037169826872678
Energy: 2.0263293434286376
Energy: 2.0257819543565247
Energy: 2.0914878233852616
Energy: 2.0387732407064374
Energy: 2.039328752845314
Energy: 2.026792479958329
Energy: 2.0256366444411973
Energy: 2.0949045446565746
Energy: 2.0390872433320304
Energy: 2.100957725049296
Energy: 2.038256734871157
Energy: 2.1293141909889846
Energy: 2.034844523424604
Energy: 2.0367322399831744
Energy: 2.0997593277126905
Energy: 2.107492137974509
Energy: 2.041791771436887
Energy: 2.0344347341768856
Energy: 2.138138156694804
Energy: 2.0896548576856073
Energy: 2.0342961832546576
Energy: 2.1307209546628965
Energy: 2.037139064712254
Energy: 2.138499947717606
Energy: 2.0883673622268613
Energy: 2.033229663345796
Energy: 2.129632648051242
Energy: 2.036560282526421
Energy: 2.032196966976271
Energy: 2.035186377217661
Energy: 2.0936527359706267
Energy: 2.0917857448491084
Energy: 2.0329539628833486
Energy: 2.0984528164103917
Energy: 2.034612798784026
Energy: 2.170521907167777
Energy: 2.0909818742442683
Energy: 2.0335481835790508
Energy: 2.1847414291379748
Energy: 2.0360271752061174
Energy: 2.037834745045753
Energy: 2.1023604336704453
Energy: 2.030722346123903
Energy: 2.1356979591310403
Energy: 2.0355536978198994
Energy: 2.039854240557907
Energy: 2.0991584704330126
Energy: 2.031320934268107
Energy: 2.0363722785668927
Energy: 2.0877945755136875
Energy: 2.036094879842244
Energy: 2.0412923291529874
Energy: 2.0348135704992316
Energy: 2.0375390831872555
Energy: 2.088235231528533
Energy: 2.0362108557597325
Energy: 2.036703975903683
Energy: 2.0362115758339328
Energy: 2.0778724786038585
Energy: 2.1359606589176066
Energy: 2.0828812179387053
Energy: 2.0323570111813924
Energy: 2.0367232352578726
Energy: 2.0776720851989765
Energy: 2.104296617381857
Energy: 2.0798106508955505
Energy: 2.031475451218844
Energy: 2.037214127229664
Energy: 2.037018422388321
Energy: 2.135437700986287
Energy: 2.139659719926114
Energy: 2.1362892042047843
Energy: 2.1386065913277066
Energy: 2.0282834217125334
Energy: 2.134798330073592
Energy: 2.1395484958548057
Energy: 2.114076728599794
Energy: 2.1377675555578404
Energy: 2.037706213443401
Energy: 2.1377405318450853
Energy: 2.097861544358219
Energy: 2.0354472747554024
Energy: 2.1384185486607117
Energy: 2.035857763104208
Energy: 2.1889580431448166
Energy: 2.162928652748262
Energy: 2.0359120957071632
Energy: 2.1385399025876546
Energy: 2.0266875952083634
Energy: 2.078162994663504
Energy: 2.036337879709706
Energy: 2.0929577573701095
Energy: 2.1372459798265004
Energy: 2.160560274608392
Energy: 2.038604867187876
Energy: 2.037231071732697
Energy: 2.093555325168973
Energy: 2.2101480381949847

minimum gb energy = 2.0256366444411973 eV
minimum distance =  2.25909257542231 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 2.039091540750217
Energy: 2.0218966657764113
Energy: 2.1702035689833115
Energy: 2.0467043149221484
Energy: 2.0222167569367406
Energy: 2.0394540067028686
Energy: 2.0441048551497603
Energy: 2.170981262404867
Energy: 2.0449675714670104
Energy: 2.023006776426226
Energy: 2.0348447574895827
Energy: 2.043332899697681
Energy: 2.041655434374662
Energy: 2.0423615574094276
Energy: 2.04209501577441
Energy: 2.1815449767529755
Energy: 2.04419197159619
Energy: 2.0241154796798075
Energy: 2.043404936809665
Energy: 2.0412985604973644
Energy: 2.045018033669018
Energy: 2.043487079344327
Energy: 2.044597906235317
Energy: 2.046670664038138
Energy: 2.179250125280486
Energy: 2.043584079457273
Energy: 2.042771296746304
Energy: 2.0445845901223456
Energy: 2.173661940943226
Energy: 2.179285578484695
Energy: 2.17291311215674
Energy: 2.037691440112188
Energy: 2.025247308327665
Energy: 2.0419874265311133
Energy: 2.1771527041760503
Energy: 2.1713818423000144
Energy: 2.0404415949411345
Energy: 2.0234292281313175
Energy: 2.043214679761522
Energy: 2.0294499079589743
Energy: 2.044156338189
Energy: 2.0242572868322632
Energy: 2.0405084957918946
Energy: 2.0463689949308868
Energy: 2.043744336916816
Energy: 2.0429099630881224
Energy: 2.0252337933622235
Energy: 2.037418369965162
Energy: 2.0446343586898856
Energy: 2.0424135552219287
Energy: 2.044021378136456
Energy: 2.171859025803899
Energy: 2.042885605982283
Energy: 2.0455230840932943
Energy: 2.0234688820128195
Energy: 2.045201432655332
Energy: 2.1704663221607725
Energy: 2.04442463999523
Energy: 2.044567677601117
Energy: 2.022689638731921
Energy: 2.1710559661269526
Energy: 2.0303545579908615
Energy: 2.0418640707700866
Energy: 2.043070903474393
Energy: 2.044782440739978
Energy: 2.171648778801039
Energy: 2.031284541944617
Energy: 2.0415288584666285
Energy: 2.0428823827285543
Energy: 2.044184513751532
Energy: 2.043141318672056
Energy: 2.1834420503414704
Energy: 2.0459872478260794
Energy: 2.0391910325660665
Energy: 2.0231306930823005
Energy: 2.044204486329446
Energy: 2.1868931825681894
Energy: 2.046198338690366
Energy: 2.0392884423300055
Energy: 2.0227269616057226
Energy: 2.0430690116663817
Energy: 2.0252100069117196
Energy: 2.0413535137158676
Energy: 2.0273307634390165
Energy: 2.1787625935277237
Energy: 2.042062198999543
Energy: 2.042173219989343
Energy: 2.041214144911592
Energy: 2.030937674363548
Energy: 2.177865230924597
Energy: 2.04488682799906
Energy: 2.0449549197833647
Energy: 2.1872982917896993
Energy: 2.17172578816857
Energy: 2.04476645497131
Energy: 2.043113232963922
Energy: 2.0435250066909596
Energy: 2.1859257457229435
Energy: 2.1806531163368614
Energy: 2.044176909701171
Energy: 2.0350433027140475
Energy: 2.042374711866688
Energy: 2.049358633089935
Energy: 2.172329580513284
Energy: 2.1800668051731726
Energy: 2.0314471099143816
Energy: 2.0425721491678694
Energy: 2.0318551571064485
Energy: 2.1716542803475125
Energy: 2.177847957012714
Energy: 2.0393513450336
Energy: 2.0458230741541508
Energy: 2.1722291663218845
Energy: 2.045538661864324
Energy: 2.0221265692975767
Energy: 2.0400930261025687
Energy: 2.044858970592869
Energy: 2.0465516190797537
Energy: 2.045185525808379
Energy: 2.0227498448638612
Energy: 2.178517064218967
Energy: 2.043272279923156
Energy: 2.0416702893281697
Energy: 2.042296414724923
Energy: 2.041715102343468
Energy: 2.181332185694176
Energy: 2.0437949817282743
Energy: 2.0246869343698015
Energy: 2.0432412661594084
Energy: 2.0409151880066854
Energy: 2.0454965350541414
Energy: 2.043926501235006
Energy: 2.0438735431893686
Energy: 2.047142456461628
Energy: 2.1790662877411
Energy: 2.043992582302307
Energy: 2.0430375697654974
Energy: 2.0452297030366884
Energy: 2.1717767850673835
Energy: 2.1791330364169608
Energy: 2.1735299169163382
Energy: 2.0368389846466135
Energy: 2.025609137557647
Energy: 2.0419752102321795
Energy: 2.177121163496254
Energy: 2.1716752460922586
Energy: 2.039999020611936
Energy: 2.0236183030475376
Energy: 2.042871118764284
Energy: 2.1784790674271073
Energy: 2.044281545165023
Energy: 2.024890620575586
Energy: 2.039636211868679
Energy: 2.046158218671002
Energy: 2.0439935469313317
Energy: 2.0429107696091795
Energy: 2.025104628848487
Energy: 2.0382361161893847
Energy: 2.0446707980717655
Energy: 2.042485711709311
Energy: 2.043777379659668
Energy: 2.171786211465976
Energy: 2.042992989237557
Energy: 2.0449979041075457
Energy: 2.0233663868017575
Energy: 2.0450412579392023
Energy: 2.170316292724726
Energy: 2.044050194326183
Energy: 2.0456582386641022
Energy: 2.022406802689349
Energy: 2.1714733425245925
Energy: 2.0299172678949073
Energy: 2.042032870283875
Energy: 2.0430233993653175
Energy: 2.045056983129722
Energy: 2.171624901096877
Energy: 2.03115086407735
Energy: 2.0415932892432207
Energy: 2.0431694047148
Energy: 2.044372157591725
Energy: 2.0429438743172503
Energy: 2.1838528666809394
Energy: 2.046067665437833
Energy: 2.0393603085907634
Energy: 2.0234442448322687
Energy: 2.043662862519188
Energy: 2.1878804009573076
Energy: 2.0464801345944217
Energy: 2.0392704051186663
Energy: 2.023777908544748
Energy: 2.043358890369695
Energy: 2.0246740062669297
Energy: 2.041255376880162
Energy: 2.027025918344822
Energy: 2.179171221354962
Energy: 2.0422941399997416
Energy: 2.041887425300367
Energy: 2.041067461397854
Energy: 2.030606584738164
Energy: 2.044345513464032
Energy: 2.0457274137110995
Energy: 2.046763132089808
Energy: 2.1858908034656745
Energy: 2.1717688270211943
Energy: 2.0443163335934833
Energy: 2.0434300410613626
Energy: 2.0436503174775695
Energy: 2.1822088202924212
Energy: 2.043853134677038
Energy: 2.0426662980224055
Energy: 2.0355203969075903
Energy: 2.0421476179548264
Energy: 2.0491731681691805
Energy: 2.173068053497002
Energy: 2.1787565725988873
Energy: 2.0315320581053653
Energy: 2.0422764296710256
Energy: 2.0321547306509875
Energy: 2.171886451465411
Energy: 2.180521801002396

minimum gb energy = 2.0218966657764113 eV
minimum distance =  2.26478916893479 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.9680291369669225
Energy: 2.144452536174708
Energy: 2.08785869872133
Energy: 2.1326754699096546
Energy: 2.1142804297316404
Energy: 1.974828916567739
Energy: 2.1135467106690755
Energy: 2.1744065596595346
Energy: 2.2015538590775137
Energy: 1.97890707826009
Energy: 1.9407943610215308
Energy: 2.0667466863541235
Energy: 2.049239844389685
Energy: 2.0112873190148584
Energy: 2.064270594655316
Energy: 1.9533176219512436
Energy: 2.0667041462701587
Energy: 2.0499600974854166
Energy: 2.0685190852264155
Energy: 2.020348065351847
Energy: 2.1676597507004813
Energy: 2.0073519954052075
Energy: 1.9709882026048877
Energy: 2.1331522685766227
Energy: 2.0614333352749648
Energy: 2.1395396881120745
Energy: 2.0213894568596302
Energy: 1.9712722705852823
Energy: 2.065185019056669
Energy: 1.976254943203584
Energy: 1.9830560790470104
Energy: 1.9637008947367764
Energy: 2.1109502673046356
Energy: 2.1449629492920868
Energy: 1.9516126053781022
Energy: 1.9521532484362762
Energy: 1.9661145992188955
Energy: 2.0627272924601026
Energy: 2.1669421709343535
Energy: 2.0864485070385723
Energy: 1.9703614363100466
Energy: 2.1054052282996345
Energy: 1.9640490804730044
Energy: 1.9716903630849183
Energy: 2.113702523785077
Energy: 1.9683080583926018
Energy: 2.1071288744145873
Energy: 2.0131263704128624
Energy: 1.9711479207351446
Energy: 2.1124822720366807
Energy: 1.9423961263791965
Energy: 1.9684433640921537
Energy: 1.969514429748886
Energy: 2.1745439178947508
Energy: 1.9765489798734643
Energy: 1.9797657128253745
Energy: 1.9713995606717194
Energy: 1.9678646634106116
Energy: 2.240698522316548
Energy: 2.058245190213843
Energy: 1.9707231499315105
Energy: 1.9681378193454475
Energy: 1.9724138522403498
Energy: 2.0138290905521408
Energy: 2.2658133271786696
Energy: 1.9698470558673975
Energy: 1.969982918398089
Energy: 1.9726540576337461
Energy: 2.0110245315839412
Energy: 2.2318441806990124
Energy: 2.088983253066306
Energy: 1.9669682007402751
Energy: 1.9846218339386135
Energy: 1.963944390673799
Energy: 2.154891787169252
Energy: 1.9694124324760458
Energy: 1.967832450560932
Energy: 2.039862932397172
Energy: 1.9630804223846143
Energy: 2.113339657429735
Energy: 1.9790189905644207
Energy: 1.9434376051299442
Energy: 2.102038879255463
Energy: 1.9657490886893565
Energy: 1.9687866097588664
Energy: 1.9792170746412607
Energy: 1.9433096416068432
Energy: 2.1152883754140954
Energy: 1.9674859639795932
Energy: 1.9703916011234779
Energy: 2.064312883690459
Energy: 2.061956557323375
Energy: 1.9748520955938986
Energy: 1.94521151911075
Energy: 1.9491297404903547
Energy: 2.0759428925442975
Energy: 2.0631363696881597
Energy: 1.9639695986373567
Energy: 1.9587827391348094
Energy: 1.9631872617093231
Energy: 2.1551080331425294
Energy: 2.041928873193865
Energy: 1.9559110441031893
Energy: 1.9494900925219352
Energy: 1.9854018918125356
Energy: 2.121552570640668
Energy: 1.986685586190439
Energy: 2.001977240635855
Energy: 1.9608684734614141
Energy: 1.9987989347113173
Energy: 1.9918000270086382
Energy: 2.057453040382533
Energy: 2.1227801564029787
Energy: 1.9532446058398123
Energy: 2.108446574016283
Energy: 1.989194716276015
Energy: 2.059713118648447
Energy: 1.9620692360989993
Energy: 1.94973359976623
Energy: 2.111013963153952
Energy: 2.1640252124214885
Energy: 2.020022763702172
Energy: 1.9824816989067373
Energy: 2.0644527017684973
Energy: 2.012428451059582
Energy: 2.159246912463519
Energy: 2.0540155671939884
Energy: 1.97811149868123
Energy: 2.09361952738347
Energy: 2.0919914913787183
Energy: 1.9720510374306532
Energy: 2.0671665299102338
Energy: 2.190458268255623
Energy: 2.0579810241404535
Energy: 2.022135827678032
Energy: 1.9727678447832353
Energy: 2.0698479395836547
Energy: 2.154469738811813
Energy: 2.0564495159644336
Energy: 2.0099052564045454
Energy: 2.059659573835704
Energy: 1.95259923818381
Energy: 1.9521454888343668
Energy: 2.1399594351746494
Energy: 2.0100208650549543
Energy: 2.0083900325879473
Energy: 1.9623852085865718
Energy: 1.9637142829851169
Energy: 2.0253119369996733
Energy: 1.9705950855839203
Energy: 2.202613847504633
Energy: 2.1383328960917227
Energy: 1.9879523724515897
Energy: 1.952224819550905
Energy: 1.9990997338101237
Energy: 2.179442914377702
Energy: 2.1515325469646327
Energy: 1.9667813381587012
Energy: 2.0462533442462654
Energy: 1.9947906626913658
Energy: 1.9525170098942481
Energy: 2.016139507132078
Energy: 2.1168302695090833
Energy: 2.195740253055034
Energy: 1.9634113224463199
Energy: 1.952874097512671
Energy: 2.0170127190215643
Energy: 2.0320977852715774
Energy: 2.203166906063759
Energy: 1.9626785981795687
Energy: 2.257050048613402
Energy: 2.233255744982089
Energy: 1.9500955418771944
Energy: 2.076955963394705
Energy: 1.9713493017089976
Energy: 2.2267369537847266
Energy: 2.235286549088349
Energy: 1.9587521690669998
Energy: 2.041591197146235
Energy: 1.973774879705432
Energy: 1.968000368055745
Energy: 1.9412667374275383
Energy: 1.9891194415757214
Energy: 1.968382134689391
Energy: 1.9720621173635702
Energy: 1.9673089211533539
Energy: 1.9428427532715893
Energy: 1.9736774710363103
Energy: 1.9675314348969677
Energy: 1.9726443936468085
Energy: 2.0343478246915483
Energy: 1.9666413179467128
Energy: 2.1297562310860254
Energy: 1.971716220616971
Energy: 1.9714491287056584
Energy: 1.9640431858428276
Energy: 1.9937857863970017
Energy: 2.0594381867768776
Energy: 1.9705009690094684
Energy: 1.9730733075269875
Energy: 2.0986063182352734
Energy: 2.0322127083511097
Energy: 1.973820582723156
Energy: 2.062756036720604
Energy: 2.039160293150653
Energy: 2.1083760812853045
Energy: 1.963360597289727
Energy: 1.9715343071016085
Energy: 1.9412428449319798
Energy: 2.045458559736707
Energy: 1.9491196526029126
Energy: 1.9437613680650387
Energy: 2.0894309664726367
Energy: 2.007446277963567
Energy: 2.0448515095701465
Energy: 1.9506146572546477
Energy: 1.948495820956882
Energy: 2.1070528044899968
Energy: 1.9428188011356065
Energy: 2.04356172698404
Energy: 1.9857869920021542
Energy: 1.9836471688921165
Energy: 1.950031125211087
Energy: 1.9687806254579125
Energy: 2.0181104829197447
Energy: 2.0179795027467415
Energy: 1.987202895835202
Energy: 2.039077011135256
Energy: 2.022744407750149
Energy: 1.9409668490564307
Energy: 1.949208239091026
Energy: 2.0149717640123432
Energy: 1.9913332634220409
Energy: 1.9917904464243896
Energy: 2.0842349948369274
Energy: 1.9504579093910432
Energy: 1.9688489514542111
Energy: 1.9911875701287605
Energy: 2.039712686026275
Energy: 2.1176474822691786
Energy: 1.9779064424966701
Energy: 2.066687744319512
Energy: 2.138434232656054
Energy: 2.0854640892623166
Energy: 1.934048754073608
Energy: 1.978941189483535
Energy: 2.0422546928608765
Energy: 2.1208068885045037
Energy: 2.064386737483941
Energy: 1.9826333160178116
Energy: 2.045534923886543
Energy: 2.037108526728539
Energy: 2.0130322171207355
Energy: 2.0388807364881067
Energy: 2.2179493921950035
Energy: 2.045467528193617
Energy: 2.006825506398203
Energy: 2.013107964254426
Energy: 2.0641880546025986
Energy: 2.1541541397312387
Energy: 1.9488856314845706
Energy: 2.016450582285204
Energy: 1.9724123411429786
Energy: 2.0490943808046436
Energy: 2.0539257574037952
Energy: 1.9511237408667903
Energy: 2.0389432445003632
Energy: 1.9723487352900697
Energy: 2.0505199120872524
Energy: 1.9432307289240254
Energy: 1.9873602141839628
Energy: 2.172545144200971
Energy: 2.0745956696562082
Energy: 2.174905708966626
Energy: 1.9454840072646729
Energy: 1.9873023723282492
Energy: 2.2088040785277183
Energy: 2.121767188948887
Energy: 2.1749014245344584
Energy: 1.9418889294873878
Energy: 2.0135087418857522
Energy: 2.106132351163218
Energy: 1.9641923048377044
Energy: 1.9725418977111822
Energy: 2.1964357406051556
Energy: 2.0240837822391784
Energy: 2.0831304205390886
Energy: 1.9641973939858892
Energy: 1.9726945652385415
Energy: 2.151081234411972
Energy: 2.2612342771244003
Energy: 1.9707091781895538
Energy: 1.9719131086784591
Energy: 2.228168731191017
Energy: 2.0409748730845103
Energy: 1.950184298721072
Energy: 1.9723337377411354
Energy: 1.9698497816349392
Energy: 2.2214900312463164
Energy: 1.943678601071185
Energy: 1.9726838788687733
Energy: 1.9687757013593543
Energy: 1.9727354053214659
Energy: 1.9961351494521955
Energy: 2.241764167614212
Energy: 1.9726590320090736
Energy: 1.9699727479740952
Energy: 1.9722788683986188
Energy: 2.019765169422505
Energy: 2.241507377301739
Energy: 1.971363498015192
Energy: 1.9696575663863476
Energy: 1.9726692203625045
Energy: 1.9637376264009485
Energy: 2.091745190470047
Energy: 1.9711650668909015
Energy: 1.9696542074679768
Energy: 1.9731643757720758
Energy: 1.9634528836526115
Energy: 2.0901444254225705
Energy: 2.093075755060291
Energy: 1.990298728398235
Energy: 2.0907143195954023
Energy: 2.0117660276874467
Energy: 1.9878616827200906
Energy: 2.0689119570162533
Energy: 2.0967493787940814
Energy: 2.0886320871962476
Energy: 1.9659216107887267
Energy: 2.052057111219903
Energy: 2.081335752431378
Energy: 1.9422702048888427
Energy: 2.0282552324615644
Energy: 1.9588916754783177
Energy: 1.962997201271611
Energy: 2.074275939019839
Energy: 1.943319774458746
Energy: 2.014604550635688
Energy: 1.9452034789288808
Energy: 1.9515608453623032
Energy: 2.1894668891035654
Energy: 2.0221305382015538
Energy: 2.0032135258356822
Energy: 1.9643713890784935
Energy: 1.9642955239205675
Energy: 2.1178373472684506
Energy: 2.007222486037337
Energy: 1.9877807390982418
Energy: 1.9483218446548443
Energy: 1.9820026019477608
Energy: 1.991381676765446
Energy: 2.134996411634991
Energy: 1.9601719508984496
Energy: 1.96603886387384
Energy: 2.010116691954229
Energy: 1.9522905161225483
Energy: 2.132658595102379
Energy: 1.9491537718664955
Energy: 1.949833245234477
Energy: 2.0247423883829336
Energy: 2.184096958280305
Energy: 2.014997831660934
Energy: 1.974684037480681
Energy: 2.0697830386543785
Energy: 2.0101163099204835
Energy: 2.118766900336032
Energy: 1.951037800003368
Energy: 1.9757040383721138
Energy: 2.0561451867119676
Energy: 2.01762728737776
Energy: 1.9704218014819481
Energy: 2.058530800267303
Energy: 2.0847613266210057
Energy: 2.0148553868665897
Energy: 1.9717935403061444
Energy: 1.971105124255706
Energy: 2.0223982864840955
Energy: 1.975809455165972
Energy: 1.9773980209306785
Energy: 1.9719054792593298
Energy: 2.0049092329982297
Energy: 1.9621677273695246
Energy: 1.9645544637764343
Energy: 2.0272937874357106
Energy: 2.0203209450702695
Energy: 2.0044672583334155
Energy: 1.9474462260800351
Energy: 1.9501091378131348
Energy: 1.9758915312643783
Energy: 2.0587667793179896
Energy: 2.3044259419787596
Energy: 2.1859558979598215
Energy: 1.9638823504312162
Energy: 2.1873597626294354
Energy: 2.003460853475988
Energy: 2.046154373784896
Energy: 2.174933546330857
Energy: 1.9922050321742077
Energy: 2.176870313967097
Energy: 2.004920656518709
Energy: 1.9534897487647387
Energy: 2.173718821684143
Energy: 2.2565683229357107
Energy: 2.0350074803768754
Energy: 2.008793533248041
Energy: 1.9533998169478988
Energy: 2.1630121861987353
Energy: 2.2783632335660435
Energy: 2.0695767008899884
Energy: 1.963766235363775
Energy: 2.1831327495841424
Energy: 2.2535628883978243
Energy: 2.2262741631023903
Energy: 1.985143282384501
Energy: 1.9706052478773948
Energy: 2.188870107188219
Energy: 2.222386689952179
Energy: 2.2229497540861898
Energy: 1.980815330344434
Energy: 1.9708998138273328
Energy: 1.9680261182691685
Energy: 2.03836107111958
Energy: 2.0275581737298887
Energy: 1.966311300876282
Energy: 1.9696625521393043
Energy: 1.9666367188136111
Energy: 1.9499512178288136
Energy: 1.9718617909577052
Energy: 1.9672631263591003
Energy: 1.969901278319693
Energy: 1.9718702672817487
Energy: 1.9656659837709485
Energy: 2.0853062333005203
Energy: 1.9692371415540997
Energy: 1.9718894138446406
Energy: 2.058322736603043
Energy: 2.060813107307548
Energy: 2.0492993534492547
Energy: 1.9686452416380205
Energy: 1.970486785346093
Energy: 2.067940102923795
Energy: 1.9630240604630227
Energy: 1.9644842621902296
Energy: 2.0615354498678067
Energy: 2.0433620797732344
Energy: 2.0453949030352843
Energy: 1.9638885191756192
Energy: 1.9776687090287342
Energy: 2.069041273388475
Energy: 2.1393534120420696
Energy: 1.9775632193671198
Energy: 1.9781666748225009
Energy: 2.0527727002135414
Energy: 1.9432109596212868
Energy: 1.9791828266754674
Energy: 1.9604601304166807
Energy: 1.9548471505639418
Energy: 2.0860701764537057
Energy: 1.944304903049605
Energy: 1.9791320938833001
Energy: 1.978767003166789
Energy: 1.9791547537045862
Energy: 1.9778928953544064
Energy: 1.9655696919997285
Energy: 1.9494875786075891
Energy: 1.9486588597827006
Energy: 2.0217915880758603
Energy: 1.9926345952082274
Energy: 1.9671358892887498
Energy: 1.9754252872141838
Energy: 1.9774654815459112
Energy: 1.9505156429019124
Energy: 2.0270397463786387
Energy: 2.143631420052919
Energy: 2.136223105316738
Energy: 1.9501695685951226
Energy: 2.0399643965926377
Energy: 2.030358425212739
Energy: 2.111157419744077
Energy: 2.131423593128852
Energy: 1.9819112514925414
Energy: 2.1395980782651245
Energy: 2.0335972684412993
Energy: 2.0161566014089143
Energy: 1.9344291139139744
Energy: 2.0235639430275247
Energy: 2.1564120096240154
Energy: 2.0274343388270943
Energy: 2.0880135519689413
Energy: 1.9431498348319862

minimum gb energy = 1.934048754073608 eV
minimum distance =  2.21558837329844 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.857278133025496
Energy: 1.7503913492630594
Energy: 1.8554628511620497
Energy: 2.151981093509828
Energy: 1.7581979934144119
Energy: 1.943620981793544
Energy: 1.753640786296573
Energy: 2.0421066731415483
Energy: 1.9820431267390977
Energy: 2.0798061585083003
Energy: 1.7425192796314106
Energy: 2.131335076636932
Energy: 1.7745116680971473
Energy: 2.095126219941813
Energy: 1.758284961126786
Energy: 1.7474723812575403
Energy: 2.1308566433507603
Energy: 1.9158961956482943
Energy: 2.1266650300993306
Energy: 1.7512414565519838
Energy: 1.9762080204389263
Energy: 1.7841200576295217
Energy: 1.7898737077602098
Energy: 1.9285117052186282
Energy: 1.759847566532694
Energy: 1.9437367520605615
Energy: 1.973484164083636
Energy: 1.8554500920631012
Energy: 1.8565228565893162
Energy: 1.7828769485450993
Energy: 1.8567387361661563
Energy: 1.8088165188130745
Energy: 2.0304577158375015
Energy: 1.9439225984508144
Energy: 1.7591821909553547
Energy: 1.9288531362220889
Energy: 1.8239062651213809
Energy: 2.03091814833566
Energy: 1.9761561161930243
Energy: 1.8753921463123404
Energy: 1.9726837064134435
Energy: 1.8727935497904382
Energy: 1.769189971374906
Energy: 1.8189065402264757
Energy: 1.8469340415750812
Energy: 1.751704974347283
Energy: 1.8728370908635519
Energy: 1.7673138276947773
Energy: 1.8495273512405201
Energy: 1.8537592162348802
Energy: 1.7461596032908662
Energy: 1.782062715116577
Energy: 1.7855499041814662
Energy: 1.7818193929648376
Energy: 1.9439007819496466
Energy: 1.9400039133566804
Energy: 1.8595746378919327
Energy: 1.8567810186247395
Energy: 1.8125771186071022
Energy: 1.8491758566140553
Energy: 1.7835544147208562
Energy: 2.0028185896789408
Energy: 1.8908890409012242
Energy: 1.780759199483995
Energy: 1.8533466018631974
Energy: 1.74782640001883
Energy: 1.7538998494809068
Energy: 1.753724707402462
Energy: 1.8073613383432046
Energy: 1.8754085362915298
Energy: 1.9931070724514253
Energy: 1.7797816229833445
Energy: 1.7814048036320878
Energy: 1.9306133922811894
Energy: 1.8554266729214777
Energy: 1.9948764787403022
Energy: 1.7530967285235879
Energy: 1.8117162657941106
Energy: 1.85825979323665
Energy: 1.8768604426636244
Energy: 1.8874598254492942
Energy: 2.032738939831726
Energy: 1.8500527854272744
Energy: 1.75002422550409
Energy: 1.7847387666999754
Energy: 1.8888753686968658
Energy: 2.033370732209017
Energy: 1.8756440874970683
Energy: 2.017121891736858
Energy: 1.7843136651523546
Energy: 2.1014671573853203
Energy: 1.9534846677293354
Energy: 1.7841021815327776
Energy: 2.148956475036975
Energy: 1.9648174427140839
Energy: 1.7747424682218527
Energy: 1.9531111322385426
Energy: 1.7796357553699724
Energy: 2.1484294510590516
Energy: 1.9002996842625068
Energy: 1.7809145717001211
Energy: 1.7809240281303502
Energy: 1.9056298782148848
Energy: 1.9422705171366677
Energy: 1.7638764160690084
Energy: 1.751718451652849
Energy: 1.7522032223424484
Energy: 1.8737751440143326
Energy: 1.9423612447956637
Energy: 1.782021201703798
Energy: 1.781639136304306
Energy: 1.7825521863006133
Energy: 1.7816687970142686
Energy: 2.0836892470103816
Energy: 1.760187250565312
Energy: 1.747844719366414
Energy: 1.7517321290221095
Energy: 1.7817237357430085
Energy: 1.8087707851647057
Energy: 1.7830500917821368
Energy: 1.7808976164922101
Energy: 1.7556861954731287
Energy: 1.974655157636561
Energy: 1.9982201243917477
Energy: 1.9656213757971113
Energy: 1.7462892899946538
Energy: 1.7564037727371276
Energy: 2.003160138855999
Energy: 1.9956691650985412
Energy: 1.9910613353766486
Energy: 1.753998939776857
Energy: 1.9665159232033893
Energy: 2.041516514710002
Energy: 1.823002675182437
Energy: 1.7631827752467826
Energy: 2.096962522600799
Energy: 1.758659229710857
Energy: 1.8077503720393326
Energy: 1.7836238382258982
Energy: 1.8806910842207378

minimum gb energy = 1.7425192796314106 eV
minimum distance =  2.22304153002364 Angstroms
sigma value = 33