Model name: model_name=MEAM_LAMMPS_Wagner_2007_Ni__MO_444394830472_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520000003278256
cohesive_energy=4.450350014636681
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018158124373229712
Energy: 1.9782933503519253
Energy: 1.2512692773346865
Energy: 1.9782933503519253
Energy: 1.9782933503519253
Energy: 0.8599438932057104
Energy: 1.9782933503519253
Energy: 0.8599438932057104
Energy: 1.2512692930695506
Energy: 1.9782933503519253
Energy: 0.018158124373229712
Energy: 1.9782933503519253
Energy: 1.9782933503513007
Energy: 0.8599438932057104
Energy: 1.9782933503513007
Energy: 0.8599438932057104

minimum gb energy = 0.018158124373229712 eV
minimum distance =  2.42577477439187 Angstroms
sigma value = 1


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

Energy: 2.367493717873135
Energy: 2.5290946759905015
Energy: 1.5608034397810444
Energy: 2.5290946759905015
Energy: 2.438978309923815
Energy: 1.8267253608125102
Energy: 2.196635848166028
Energy: 1.8267253608125102
Energy: 1.836680810475714
Energy: 2.4955913427914678
Energy: 2.247511076899263
Energy: 2.49559134279227
Energy: 2.0404959988871787
Energy: 2.184986799164161
Energy: 2.1430254999366114
Energy: 2.1849867991625564
Energy: 2.1254006317954715
Energy: 2.25900475590672
Energy: 2.3610324969955356
Energy: 2.25900475590672
Energy: 2.282975806910438
Energy: 2.3996024635233995
Energy: 1.9407526625617042
Energy: 2.399602463522598
Energy: 2.3825374067158016
Energy: 2.2316151415919308
Energy: 2.5850330195140017
Energy: 2.2316151415919308
Energy: 1.8606369557225881
Energy: 2.9903612938331725
Energy: 1.8042671420165555
Energy: 2.99036129383237
Energy: 2.5363597974309786
Energy: 2.1025552329531623
Energy: 2.353530662301555
Energy: 2.1025552329531623
Energy: 1.941341032314077
Energy: 2.499588868315507
Energy: 1.8138321234687445
Energy: 2.499588868314705
Energy: 2.2659652361372777
Energy: 2.0453721150335533
Energy: 2.5855542901474804
Energy: 2.0453721150335533
Energy: 1.7658628284568965
Energy: 2.4774906400983596
Energy: 2.0657252302246802
Energy: 2.4774906400967547
Energy: 2.3586989924577577
Energy: 2.105261195973439
Energy: 2.2055549126489282
Energy: 2.105261195973439
Energy: 2.240809602566705
Energy: 2.2855537015549325
Energy: 2.0154042031648167
Energy: 2.28555370155734
Energy: 2.1856626854417462
Energy: 2.1207576338142715
Energy: 2.336668006716587
Energy: 2.120757633815074
Energy: 2.237116708862274
Energy: 2.0336273510906646
Energy: 2.3574679381093353
Energy: 2.0336273510906646
Energy: 2.0654229951423178
Energy: 2.427104920791394
Energy: 1.8311283286982218
Energy: 2.4271049207897892
Energy: 2.4634997579463924
Energy: 1.8494847073997516
Energy: 2.2429841055443966
Energy: 1.8494847073997516
Energy: 1.7452275303257576
Energy: 2.609791457381809
Energy: 1.9895984325523903
Energy: 2.6097914573810073
Energy: 2.386122163026423
Energy: 2.176256186036392
Energy: 2.5721932678272483
Energy: 2.1762561860355896
Energy: 1.9746132800738825
Energy: 2.3714735186074996
Energy: 1.8300213902997053
Energy: 2.3714735186066975
Energy: 2.554634418032285
Energy: 2.2526117940049346
Energy: 2.279800291494371
Energy: 2.2526117940057366
Energy: 2.2283081463062326
Energy: 2.422852754225987
Energy: 2.074817540309037
Energy: 2.4228527535547606
Energy: 2.1820523631891584
Energy: 2.1461173525205117
Energy: 2.41949681740617
Energy: 2.146117352521314
Energy: 2.3542032863209084
Energy: 2.256517855445242
Energy: 2.471009333356788
Energy: 2.256517855438824
Energy: 1.943529604030051
Energy: 2.365732762240834
Energy: 2.0973088394818107
Energy: 2.365732762241637
Energy: 2.1308671629282534
Energy: 1.9509884938932736
Energy: 2.316264276821935
Energy: 1.9509884938932736
Energy: 1.8856182079603439
Energy: 2.4543696207032832
Energy: 2.356297339603277
Energy: 2.4543696207016783
Energy: 2.4676770136607877
Energy: 1.7183802632781855
Energy: 2.1428904062921164
Energy: 1.7183802632773832
Energy: 2.5455691712258246
Energy: 2.4601798392688687
Energy: 1.9606993798211272
Energy: 2.4601798392688687
Energy: 2.539721057537701
Energy: 1.8246337657969425
Energy: 2.300558647653782
Energy: 1.8246337657953378
Energy: 2.213232943261983
Energy: 2.3046180064287887
Energy: 2.3241631136417276
Energy: 2.3046180064295902
Energy: 2.0288236911489506
Energy: 2.2444255076172137
Energy: 2.155748597978185
Energy: 2.244425507615609

minimum gb energy = 1.5608034397810444 eV
minimum distance =  2.30571232269367 Angstroms
sigma value = 1


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

Energy: 2.2878705098181724
Energy: 2.5637741349792833
Energy: 1.7368098329163677
Energy: 2.563774134978369
Energy: 2.336894129227375
Energy: 1.864060444078522
Energy: 2.1147098519570204
Energy: 1.8640604440794366
Energy: 2.01477177098003
Energy: 2.4735911653452627
Energy: 2.310718075483743
Energy: 2.473591165042605
Energy: 2.0706316178200272
Energy: 2.2173200573858645
Energy: 2.13390552903083
Energy: 2.2173200573858645
Energy: 1.9351581385418635
Energy: 2.2179992818663634
Energy: 2.2978285693260654
Energy: 2.217999281865449
Energy: 2.011505037415574
Energy: 2.42170611207693
Energy: 1.7969987181679634
Energy: 2.4217061120760155
Energy: 2.4719015241333437
Energy: 2.2627281806568798
Energy: 2.6788636873004434
Energy: 2.262728180655965
Energy: 1.8131550718615843
Energy: 2.721369306796933
Energy: 2.0866473594879795
Energy: 2.7213693068005917
Energy: 2.5205385147859256
Energy: 2.25433977320446
Energy: 2.2441859273934477
Energy: 2.25433977320446
Energy: 1.906876257580376
Energy: 2.485216717670518
Energy: 1.8722429618588508
Energy: 2.4852167176732625
Energy: 2.1174788703054497
Energy: 2.051721637010427
Energy: 2.471634680001759
Energy: 2.051721637010427
Energy: 1.8427256791005495
Energy: 2.3170529331979752
Energy: 2.1034773178869415
Energy: 2.3170529331979752
Energy: 2.307411073036996
Energy: 2.010890380177462
Energy: 2.0272110180290066
Energy: 2.010890380176547
Energy: 2.313880708755944
Energy: 2.031367711820094
Energy: 2.1197678865448313
Energy: 2.0313677118210087
Energy: 1.8566755354676603
Energy: 2.3252684034739755
Energy: 2.0294775496231052
Energy: 2.3252684034739755
Energy: 2.0189078927496036
Energy: 2.0313592433634513
Energy: 2.6332433279269334
Energy: 2.0313592433634513
Energy: 1.8626071546496943
Energy: 2.615335401039969
Energy: 1.8188795898208974
Energy: 2.6153354010417993
Energy: 2.4524354012348577
Energy: 2.2542158940888117
Energy: 2.244198703016324
Energy: 2.254215894087897
Energy: 1.803204712250628
Energy: 2.7239275684040276
Energy: 2.114439625601794
Energy: 2.7239275684058564
Energy: 2.48684493258944
Energy: 2.261991958535177
Energy: 2.447501926376302
Energy: 2.261991958534263
Energy: 2.027875689054083
Energy: 2.425578611888802
Energy: 1.9142416513232718
Energy: 2.4255786118906317
Energy: 1.9381716684258397
Energy: 2.2097663948351216
Energy: 2.170000947903228
Energy: 2.2097663948342072
Energy: 2.0641661209533866
Energy: 2.1959942921917834
Energy: 2.1067738849179047
Energy: 2.195994292189039
Energy: 1.9774558975035383
Energy: 2.4654542518312486
Energy: 2.271967956202736
Energy: 2.465454251866924
Energy: 2.248858739292918
Energy: 1.8631796114249046
Energy: 2.1146446809030643
Energy: 1.86317961142399
Energy: 2.2878705098108965
Energy: 2.5637741349792833
Energy: 1.7999722576126427
Energy: 2.5637741349774545
Energy: 2.336894129229205
Energy: 1.864060444078522
Energy: 2.114709851957935
Energy: 1.864060444078522
Energy: 2.0147717707386184
Energy: 2.473591157886949
Energy: 2.215720342314936
Energy: 2.4735911581786305
Energy: 2.0706316178163684
Energy: 2.2173200573858645
Energy: 2.077555408349865
Energy: 2.2173200573858645

minimum gb energy = 1.7368098329163677 eV
minimum distance =  2.28979300892134 Angstroms
sigma value = 25


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

Energy: 2.3918652344016547
Energy: 2.5730382099441407
Energy: 1.8381253766968533
Energy: 2.5730382099441407
Energy: 2.4613641210011994
Energy: 1.9640195854649953
Energy: 2.112894170447203
Energy: 1.9640195854649953
Energy: 2.2213472811312607
Energy: 2.5855060170540534
Energy: 2.1541007275382458
Energy: 2.585506017074257
Energy: 2.1427649903740478
Energy: 2.3321563658194884
Energy: 2.2754296535397325
Energy: 2.3321563658194884
Energy: 2.536415671938597
Energy: 2.396063180534687
Energy: 2.493595547908383
Energy: 2.396063180534687
Energy: 2.2136788254061575
Energy: 3.0889188367099782
Energy: 2.26744131006681
Energy: 3.088918836708915
Energy: 2.621527610964396
Energy: 2.4221255931609114
Energy: 2.811424904845461
Energy: 2.4221255931630385
Energy: 2.0404207983206986
Energy: 2.558749206172988
Energy: 2.2093447798340407
Energy: 2.5587492061708614
Energy: 2.7871913914133466
Energy: 2.1211648364990037
Energy: 2.18838235720425
Energy: 2.1211648364990037
Energy: 2.0480419528026474
Energy: 2.5626400802244618
Energy: 2.0180721938384174
Energy: 2.5626400802244618
Energy: 2.075431612463018
Energy: 2.083933818360388
Energy: 2.321911621684917
Energy: 2.083933818360388
Energy: 2.327045110216212
Energy: 2.3181928724001075
Energy: 2.2924410946607185
Energy: 2.3181928724001075
Energy: 2.2945581585339676
Energy: 2.468750553810893
Energy: 2.21230329433913
Energy: 2.4687505538077033
Energy: 2.620842530004284
Energy: 2.440562676415524
Energy: 2.1317135572926134
Energy: 2.440562676415524
Energy: 1.9371240635999227
Energy: 2.625917271772336
Energy: 2.2708325538936065
Energy: 2.6259172717702093
Energy: 2.371115899946812
Energy: 2.4226123832742315
Energy: 2.733315391260926
Energy: 2.4226123832742315
Energy: 2.1149403817138137
Energy: 2.9705015609780565
Energy: 1.9547234164975928
Energy: 2.9705015609780565
Energy: 2.6814662173682122
Energy: 2.428265368841259
Energy: 2.162638202839285
Energy: 2.428265368842323
Energy: 1.9404229305265523
Energy: 2.484457179769367
Energy: 2.276124115342233
Energy: 2.484457179769367
Energy: 1.9711112986780936
Energy: 2.731548909646146
Energy: 2.257725671056865
Energy: 2.731548909646146
Energy: 2.336860517082694
Energy: 2.0398326649842655
Energy: 2.317538945336407
Energy: 2.0398326649842655
Energy: 2.490467914312352
Energy: 2.57460387840276
Energy: 1.916869989127362
Energy: 2.57460387840276
Energy: 2.498375265350096
Energy: 1.9653031116785489
Energy: 2.101738817673957
Energy: 1.9653031116785489
Energy: 2.1823958301722657
Energy: 2.527760289654863
Energy: 2.0518245623560305
Energy: 2.5277602894816287
Energy: 2.16642346958414
Energy: 2.2342818741885915
Energy: 2.3131173746510614
Energy: 2.234281874176894

minimum gb energy = 1.8381253766968533 eV
minimum distance =  2.3076099005554 Angstroms
sigma value = 9


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

Energy: 2.3578660942716883
Energy: 2.479872366714027
Energy: 2.0908981358352725
Energy: 2.479872366714027
Energy: 2.6941905415433482
Energy: 2.336775372728115
Energy: 2.1282776692509535
Energy: 2.336775372728115
Energy: 2.1712231718754254
Energy: 2.264259866610117
Energy: 2.1324158533007513
Energy: 2.2642598666088483
Energy: 2.561315136433521
Energy: 2.5671813345985264
Energy: 2.4169565418333185
Energy: 2.567181334579498
Energy: 2.6531876219708743
Energy: 2.38306520441678
Energy: 2.2768599951094326
Energy: 2.3830652044180485
Energy: 2.3262768785547867
Energy: 2.9488039280422265
Energy: 2.440377176996648
Energy: 2.9488039280422265
Energy: 2.199793856544041
Energy: 2.4858288384091307
Energy: 3.001184658944368
Energy: 2.4858288384091307
Energy: 2.249911578983454
Energy: 2.9008772470433786
Energy: 2.308170439101163
Energy: 2.9008772470433786
Energy: 2.48946802520098
Energy: 2.036412739725428
Energy: 2.627315860139901
Energy: 2.036412739725428
Energy: 2.358462468630777
Energy: 2.629522481591946
Energy: 2.321027891549022
Energy: 2.6295224815932143
Energy: 2.26458248828902
Energy: 2.2108263974531495
Energy: 2.140783165423719
Energy: 2.210826397454418
Energy: 2.152693616136889
Energy: 2.5462636247399795
Energy: 2.6201574220767996
Energy: 2.546263624741248
Energy: 2.181528403765147
Energy: 2.4855630267225557
Energy: 1.9759508582680219
Energy: 2.4855630267225557
Energy: 2.7266177085790186
Energy: 2.489895298528301
Energy: 2.153249895940502
Energy: 2.489895298527033
Energy: 2.1388959480978027
Energy: 2.434090136927374
Energy: 2.0619121187741722
Energy: 2.434090136927374
Energy: 2.285697369788539
Energy: 2.6949832738412476
Energy: 2.610692668816692
Energy: 2.6949832738412476
Energy: 2.3766095425622367
Energy: 2.364019196840992
Energy: 2.2277883357213004
Energy: 2.3640191968473343
Energy: 2.726003577989026
Energy: 2.8483767827909947
Energy: 2.2928367414859196
Energy: 2.8483767827909947
Energy: 2.379747501378498
Energy: 1.9666826009530938
Energy: 2.2661596637482075
Energy: 1.9666826009518252
Energy: 2.2647849105973528
Energy: 3.0042781533464775
Energy: 2.314121473472206
Energy: 3.0042781533477463
Energy: 2.0585678317393983
Energy: 2.2180321682801987
Energy: 2.805969454126604
Energy: 2.2180321682814674

minimum gb energy = 1.9666826009518252 eV
minimum distance =  2.29666202312298 Angstroms
sigma value = 25


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

Energy: 2.3604693998683612
Energy: 1.9546438095931806
Energy: 2.4453374014602027
Energy: 1.9546438096025935
Energy: 2.8657455120673334
Energy: 2.4294658252523735
Energy: 1.9583393740344057
Energy: 2.4294658252523735
Energy: 2.5263863129853457
Energy: 2.4143716596398903
Energy: 2.158961634999868
Energy: 2.414371659558349
Energy: 2.8551092016797486
Energy: 2.604049490860456
Energy: 2.1977151353455335
Energy: 2.6040494908620246
Energy: 2.5828030582488015
Energy: 2.620981549452441
Energy: 2.3845518167820803
Energy: 2.620981549452441
Energy: 1.9889802618996335
Energy: 2.779161248101614
Energy: 2.6184943335189237
Energy: 2.779161248101614
Energy: 2.411537765095272
Energy: 2.105328606031045
Energy: 2.612665391108981
Energy: 2.105328606031045
Energy: 2.295398333232167
Energy: 2.26536111819882
Energy: 2.615038525226722
Energy: 2.26536111819882
Energy: 2.262687222874942
Energy: 2.438896264857069
Energy: 2.8700568753687024
Energy: 2.438896264857069
Energy: 2.567251492710446
Energy: 2.1429152775669142
Energy: 2.1800850408901886
Energy: 2.142915277568483
Energy: 1.907535408962392
Energy: 2.5027930875682305
Energy: 2.377504125772213
Energy: 2.5027930875682305
Energy: 2.2850092808991023
Energy: 2.7920290189914145
Energy: 2.5547274204831276
Energy: 2.7920290189914145
Energy: 2.190444338440895
Energy: 2.778757189886014
Energy: 2.182064929756362
Energy: 2.778757189886014
Energy: 1.9966096859753708
Energy: 2.219142111359334
Energy: 2.6335029439066764
Energy: 2.219142111359334
Energy: 2.1976931505251303
Energy: 2.0399414383763546
Energy: 2.4560888023585554
Energy: 2.0399414384092993
Energy: 2.355330807091732
Energy: 2.861651767071751
Energy: 2.184220245298353
Energy: 2.861651767071751
Energy: 2.1719430097803207
Energy: 2.6517328782602445
Energy: 2.74162747419868
Energy: 2.6517328782602445

minimum gb energy = 1.907535408962392 eV
minimum distance =  2.3109666176681 Angstroms
sigma value = 17


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

Energy: 2.276181061468616
Energy: 2.4116853291244627
Energy: 2.368275640461204
Energy: 2.4116853291235745
Energy: 2.945001791780985
Energy: 2.4347732116865792
Energy: 2.2053082031832987
Energy: 2.4347732116865792
Energy: 2.488429102170275
Energy: 2.390819965024993
Energy: 2.274457989239319
Energy: 2.390819965025881
Energy: 2.4817958721946005
Energy: 2.7332052304374814
Energy: 2.0865069289276836
Energy: 2.7332052304374814
Energy: 2.809865495730308
Energy: 2.6721119948525316
Energy: 2.3042329230156704
Energy: 2.672111994851643
Energy: 2.3451846049415384
Energy: 2.606572105614948
Energy: 2.746044214725203
Energy: 2.606572105614059
Energy: 2.5949566428945743
Energy: 2.386061605861774
Energy: 2.3519065843294555
Energy: 2.386061605862662
Energy: 2.5515364122262776
Energy: 2.368061709728338
Energy: 2.464340756679357
Energy: 2.3680617097265606
Energy: 2.510997222536607
Energy: 2.654755385325222
Energy: 2.5083722198643854
Energy: 2.654755385325222
Energy: 2.6915532748089137
Energy: 2.967450423418208
Energy: 2.321530639853114
Energy: 2.967450423418208
Energy: 2.131503481943845
Energy: 2.626966494757702
Energy: 2.6707140218052525
Energy: 2.626966494757702
Energy: 2.5264597236197477
Energy: 2.325412785572726
Energy: 2.605435896450614
Energy: 2.325412785572726
Energy: 2.6805698641893625
Energy: 2.498721401470004
Energy: 2.263133228466751
Energy: 2.498721401470004
Energy: 2.1830839672040483
Energy: 2.768299458465526
Energy: 2.630403694204141
Energy: 2.7682994585366045
Energy: 2.4830329396804163
Energy: 2.444552304990456
Energy: 2.4783738009835288
Energy: 2.444552305020664
Energy: 2.444673499689535
Energy: 2.614331967945436
Energy: 2.2539786300710802
Energy: 2.614331967946325
Energy: 2.296840426150301
Energy: 2.5713775863608457
Energy: 2.8477100477101387
Energy: 2.5713775863608457
Energy: 2.5037667863039945
Energy: 2.499193261662236
Energy: 2.337381568196941
Energy: 2.4991932616613473
Energy: 2.1712023959857025
Energy: 2.352252001857882
Energy: 2.841025742888061
Energy: 2.352252001857882
Energy: 1.9926810514074145
Energy: 2.6806491715987724
Energy: 2.48620310088899
Energy: 2.6806491715996206
Energy: 2.2853304300833694
Energy: 2.4938181794796446
Energy: 2.2930980114177033
Energy: 2.4938181794805323
Energy: 2.4227954573241663
Energy: 2.7622238184520573
Energy: 3.0276861130266033
Energy: 2.7622238184511687
Energy: 2.2612422518858843
Energy: 2.541201880691146
Energy: 2.230515303666696
Energy: 2.541201880691146
Energy: 2.434893623830203
Energy: 2.2941433577700963
Energy: 2.760622833685138
Energy: 2.294143357753215
Energy: 2.381115178573833
Energy: 2.404878541599346
Energy: 2.5413395592926977
Energy: 2.404878541599346
Energy: 2.20102506193518
Energy: 2.615401158078571
Energy: 2.238362327082562
Energy: 2.615401158077683
Energy: 2.3981727703313602
Energy: 2.7567691824671594
Energy: 2.7605414164377713
Energy: 2.7567691824662703
Energy: 2.1293535239400647
Energy: 2.660498562518085
Energy: 2.298452023948891
Energy: 2.660498562518085
Energy: 2.750320718515309
Energy: 2.698950959357331
Energy: 2.476221907220315
Energy: 2.6989509593564422
Energy: 2.454988074520637
Energy: 2.235822569941561
Energy: 2.584435446123598
Energy: 2.235822569941561

minimum gb energy = 1.9926810514074145 eV
minimum distance =  2.31402851674286 Angstroms
sigma value = 53


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

Energy: 2.202618546436142
Energy: 2.1203220955055357
Energy: 2.7862609148780733
Energy: 2.120322095507581
Energy: 2.6552412920175295
Energy: 2.2097081478125227
Energy: 2.300338958586727
Energy: 2.2097081478125227
Energy: 2.6335079017651886
Energy: 2.788368250234866
Energy: 2.304782855955205
Energy: 2.788368250234866
Energy: 2.6293155839221543
Energy: 2.7819633850312244
Energy: 2.3626024201023057
Energy: 2.7819633850291794
Energy: 2.6554597139657696
Energy: 2.1927264967284827
Energy: 2.1193161394251008
Energy: 2.192726496742801
Energy: 2.202618546436142
Energy: 2.1203220955055357
Energy: 2.479276994782824
Energy: 2.120322095507581
Energy: 2.6552412920175295
Energy: 2.209708147839067
Energy: 2.588875611034617
Energy: 2.2097081478411127
Energy: 2.6335079017692795
Energy: 2.7883682502328204
Energy: 2.3047828559572503
Energy: 2.7883682502307754
Energy: 2.6293155328106392
Energy: 2.781963385016906
Energy: 2.5724402813353926
Energy: 2.781963385016906
Energy: 2.6554597139657696
Energy: 2.1927264974379286
Energy: 2.23395347523014
Energy: 2.192726497442019
Energy: 2.202618546436142
Energy: 2.1203220955055357
Energy: 2.876387828555752
Energy: 2.120322095507581
Energy: 2.6552412920175295
Energy: 2.2097081478656584
Energy: 2.5888756216805326
Energy: 2.2097081478656584
Energy: 2.6335079017692795
Energy: 2.7883682502307754
Energy: 2.304782855955205
Energy: 2.7883682502307754

minimum gb energy = 2.1193161394251008 eV
minimum distance =  2.31470530956614 Angstroms
sigma value = 9


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

Energy: 2.5308107406204132
Energy: 2.2665018559212498
Energy: 2.8546771352318006
Energy: 2.266501855922007
Energy: 2.821151353219765
Energy: 2.602629307101457
Energy: 2.4363954484974495
Energy: 2.602629307101457
Energy: 2.5527219674826607
Energy: 2.7826369758955227
Energy: 2.305567431423825
Energy: 2.782636975884924
Energy: 2.6882464069163
Energy: 2.5558496876484043
Energy: 2.1648953358421625
Energy: 2.5558496876484043
Energy: 2.757792934984919
Energy: 2.4027921739999005
Energy: 2.1428346378092185
Energy: 2.4027921739999005
Energy: 2.1279368237326195
Energy: 2.4066070679899183
Energy: 2.7848751601249098
Energy: 2.406607067989161
Energy: 2.8436466998345318
Energy: 2.7210077048032066
Energy: 2.462250728121834
Energy: 2.7210077048039634
Energy: 2.461841837738796
Energy: 2.5697029077837024
Energy: 2.5570026349930046
Energy: 2.56970290778446
Energy: 2.5669205193648783
Energy: 2.5271504385468115
Energy: 2.2203317955294364
Energy: 2.527150438546055
Energy: 2.620286606780169
Energy: 2.6211012297034397
Energy: 2.540510501209075
Energy: 2.6211012297034397
Energy: 2.312093834067341
Energy: 2.621190781637359
Energy: 2.7478734214362697
Energy: 2.621190781637359
Energy: 2.5837152997077615
Energy: 2.8524166284793435
Energy: 2.1758175167519003
Energy: 2.8524166284755577
Energy: 2.2459417815237135
Energy: 2.7299628228777486
Energy: 2.6424269072616697
Energy: 2.7299628228769914
Energy: 3.118482500281191
Energy: 2.3849744676805997
Energy: 2.433455626354544
Energy: 2.3849744676805997
Energy: 2.721004188838441
Energy: 2.765055092254722
Energy: 2.5645829014783414
Energy: 2.765055092253965
Energy: 2.114568707516143
Energy: 2.753807986967881
Energy: 2.5695979657088843
Energy: 2.753807986967881
Energy: 2.6993639142505685
Energy: 2.98185634417139
Energy: 2.5183236181588553
Energy: 2.981856344172147
Energy: 2.2289669194189012
Energy: 2.3673765268853004
Energy: 3.0426951761705396
Energy: 2.367376526889086
Energy: 2.686870089049208
Energy: 2.4947607627467003
Energy: 2.2759714012911414
Energy: 2.494760762747457
Energy: 2.1947086748978175
Energy: 2.7715772857601144
Energy: 2.6614808938272927
Energy: 2.771577285762386
Energy: 2.500000144485129
Energy: 2.6084752588639577
Energy: 2.5741077500258522
Energy: 2.6084752588624442
Energy: 2.8240941112358597
Energy: 2.933862636227468
Energy: 2.5627688094501013
Energy: 2.9338626362282247
Energy: 2.230002096400515
Energy: 2.4055227646462627
Energy: 2.7639185220648708
Energy: 2.4055227646470194
Energy: 2.8229510316208093
Energy: 2.39470137195936
Energy: 2.3261988567247722
Energy: 2.39470137195936
Energy: 2.3737927286241374
Energy: 2.7898181172769827
Energy: 2.9652342444364574
Energy: 2.7898181172754684
Energy: 2.3595863861564608
Energy: 2.532306063851804
Energy: 2.323064474845893
Energy: 2.532306063851804
Energy: 2.2472402571319967
Energy: 2.538894842267883
Energy: 2.674630565115022
Energy: 2.5388948422648547
Energy: 2.3950500581594927
Energy: 2.607616239568313
Energy: 2.792524299519974
Energy: 2.607616239568313
Energy: 2.4045912935222558
Energy: 2.632588364688322
Energy: 2.321982286804102
Energy: 2.6325883646875643
Energy: 2.5263613109495795
Energy: 2.736050926771749
Energy: 2.9697238911259416
Energy: 2.736050926771749
Energy: 2.293937679718148
Energy: 2.4545513440490545
Energy: 2.3007621814545636
Energy: 2.4545513440498112
Energy: 2.218033492465937
Energy: 2.3504071208511106
Energy: 2.7704234141951747
Energy: 2.3504071208518673
Energy: 2.3109015526495846
Energy: 2.819824588401422
Energy: 2.564901384699468
Energy: 2.8198245884021786
Energy: 2.5044327240784052
Energy: 2.656790369824344
Energy: 2.4840816355198214
Energy: 2.656790369825101
Energy: 2.1738279924717085
Energy: 2.7452270908774903
Energy: 2.835833169857491
Energy: 2.7452270908767336

minimum gb energy = 2.114568707516143 eV
minimum distance =  2.31092037873011 Angstroms
sigma value = 73


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

Energy: 2.3028501790856026
Energy: 2.390392523504768
Energy: 2.816574432432955
Energy: 2.390392523504768
Energy: 2.796233883184801
Energy: 2.590401881506066
Energy: 2.363161971355821
Energy: 2.590401881506066
Energy: 2.5694119628256633
Energy: 2.807926275104034
Energy: 2.258898873463595
Energy: 2.8079262750884193
Energy: 2.50199925038782
Energy: 2.664850943558242
Energy: 2.240358800472697
Energy: 2.6648509435570413
Energy: 2.455271793207417
Energy: 2.46531676227166
Energy: 2.46769458098477
Energy: 2.46531676227166
Energy: 2.4163129531301473
Energy: 2.517409746552782
Energy: 2.5377832445467265
Energy: 2.517409746552782
Energy: 2.818965500232748
Energy: 2.5704837798757123
Energy: 2.3324460206840323
Energy: 2.570483779874511
Energy: 2.0596251030307524
Energy: 2.6568872976241735
Energy: 2.425551853533649
Energy: 2.6568872976241735
Energy: 2.941496835310958
Energy: 2.4027818673820134
Energy: 2.095625126708233
Energy: 2.4027818673820134
Energy: 2.861760984512775
Energy: 2.783521181482807
Energy: 2.781372613953385
Energy: 2.783521181482807
Energy: 2.157605423197075
Energy: 2.450138245690579
Energy: 2.628889005114275
Energy: 2.4501382456893777
Energy: 2.5106327728157853
Energy: 2.6910075113783902
Energy: 2.194769226356026
Energy: 2.6910075113783902
Energy: 2.2471771833183487
Energy: 2.3656238864353853
Energy: 2.9834656857052897
Energy: 2.3656238864341845
Energy: 2.603911140745708
Energy: 2.3637364226281847
Energy: 2.4096627518042855
Energy: 2.363736422626984
Energy: 2.4441855775637746
Energy: 2.714303134560501
Energy: 2.6134146983093682
Energy: 2.714303134560501
Energy: 2.6225245786951006
Energy: 2.716408717798225
Energy: 2.3332520131489383
Energy: 2.716408717798225
Energy: 2.5172532354760966
Energy: 2.8338488367342376
Energy: 2.723930920525875
Energy: 2.833848836735439
Energy: 2.479770914189559
Energy: 2.46422959633528
Energy: 2.869827594191058
Energy: 2.46422959633528
Energy: 2.496749914040227
Energy: 2.4581213007610425
Energy: 2.3862834317152855
Energy: 2.4581213007610425
Energy: 2.4865657906652374
Energy: 3.02290402576675
Energy: 2.844046879508844
Energy: 3.02290402576675
Energy: 2.6679922106967764
Energy: 2.5034982467591935
Energy: 2.402015290637782
Energy: 2.503498246760395
Energy: 2.2654761237020873
Energy: 2.576198921074458
Energy: 2.727727078389481
Energy: 2.576198921074458

minimum gb energy = 2.0596251030307524 eV
minimum distance =  2.29546314262584 Angstroms
sigma value = 7


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

Energy: 2.29643448336944
Energy: 2.2756939543294377
Energy: 2.7052819589238375
Energy: 2.275693954328588
Energy: 2.875973010194868
Energy: 2.89184814080171
Energy: 2.360403275278125
Energy: 2.891848140799162
Energy: 2.2330770297243596
Energy: 2.807943766634882
Energy: 2.204821616620334
Energy: 2.807943766633184
Energy: 2.626135451075027
Energy: 2.595209339763084
Energy: 2.404298821252803
Energy: 2.595209339762235
Energy: 2.428348182453428
Energy: 2.5201527964428503
Energy: 2.360030335269073
Energy: 2.5201527964445485
Energy: 2.0077171390113415
Energy: 2.6749256067427187
Energy: 2.6514822505491207
Energy: 2.6749256067418687
Energy: 2.7455723760901733
Energy: 2.71278071698415
Energy: 2.410018254580699
Energy: 2.7127807169858484
Energy: 2.0394303236769518
Energy: 2.557366980715816
Energy: 2.5240115145183997
Energy: 2.557366980717515
Energy: 2.772514102735332
Energy: 2.2374906519147455
Energy: 2.1729149599153366
Energy: 2.2374906519121973
Energy: 2.1058543148028974
Energy: 3.0171832063873145
Energy: 2.845527076508177
Energy: 3.0171832063864654
Energy: 2.6848702102499686
Energy: 2.6672182091033254
Energy: 2.266588078088605
Energy: 2.667218209104175
Energy: 2.6289330619972024
Energy: 2.6401706808179517
Energy: 2.74066288094678
Energy: 2.640170680817103
Energy: 2.315659736317577
Energy: 2.43448265879088
Energy: 2.8500022142156514
Energy: 2.4344826587900306
Energy: 2.3905948654810976
Energy: 2.5465819484311956
Energy: 2.41030539804095
Energy: 2.546581948430346
Energy: 2.328203276747933
Energy: 2.5776934532459417
Energy: 2.7527841074196684
Energy: 2.577693453249339
Energy: 2.8565687463125355
Energy: 2.389437416144936
Energy: 2.219025199645134
Energy: 2.389437416144936
Energy: 2.2028319132995247
Energy: 2.32346997828783
Energy: 2.799223982957778
Energy: 2.3234699782895296
Energy: 2.3654869089543764
Energy: 2.673472486778882
Energy: 2.5485712738072395
Energy: 2.6734724867754847
Energy: 2.185445655245283
Energy: 2.6947576786224943
Energy: 2.7020882208430916
Energy: 2.694757678621645
Energy: 2.2274780120323583
Energy: 2.678271531409724
Energy: 2.649124124034863
Energy: 2.678271531409724
Energy: 3.041072182593192
Energy: 2.5422715545482393
Energy: 2.1680955722578634
Energy: 2.5422715545465406
Energy: 2.1076928787113354
Energy: 2.8792576987873644
Energy: 2.5580730445191184
Energy: 2.8792576987899126
Energy: 2.68881319662268
Energy: 2.5716718882688645
Energy: 2.2157329923622275
Energy: 2.571671888270564
Energy: 2.1507750022069008
Energy: 2.4068574582915208
Energy: 2.753943720174147
Energy: 2.406857458290671
Energy: 2.8612659813840335
Energy: 2.570070091212288
Energy: 2.4493495284414473
Energy: 2.5700700912114383
Energy: 2.529526243030686
Energy: 2.7738568347274937
Energy: 2.2765990119643194
Energy: 2.7738568347274937
Energy: 2.329747506891714
Energy: 2.7713326875812907
Energy: 2.511773149141334
Energy: 2.7713326875812907
Energy: 2.737518528264997
Energy: 2.50505182043352
Energy: 2.356498835275917
Energy: 2.50505182043437
Energy: 2.0358680946772423
Energy: 2.625133346857378
Energy: 2.5720221845669666
Energy: 2.625133346857378
Energy: 2.804165781156031
Energy: 3.1501091355682447
Energy: 2.4269256564866106
Energy: 3.1501091355682447
Energy: 2.0544119429949803
Energy: 2.616366508604262
Energy: 2.3639988434280412
Energy: 2.61636650859407

minimum gb energy = 2.0077171390113415 eV
minimum distance =  2.32660642887443 Angstroms
sigma value = 29


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

Energy: 2.2878596836589313
Energy: 1.922642801202497
Energy: 3.3080518026270496
Energy: 1.9226428012027925
Energy: 2.5229185076289387
Energy: 2.777081108092875
Energy: 2.6724779384953683
Energy: 2.7770808805483247
Energy: 2.5091275176464856
Energy: 2.6870993058901216
Energy: 2.32104861637297
Energy: 2.6870993058898254
Energy: 2.6893691131638877
Energy: 2.459085749790518
Energy: 2.288518448133638
Energy: 2.45908574987204
Energy: 2.660162110658163
Energy: 2.057710985426776
Energy: 2.7823852445979673
Energy: 2.0577109854363087
Energy: 2.142324013799764
Energy: 3.0309850669448983
Energy: 2.540306503130928
Energy: 3.0309850669448983
Energy: 1.995050452322091
Energy: 2.05459206297936
Energy: 2.6598813198753044
Energy: 2.054592063187273
Energy: 2.2885309359670374
Energy: 2.4968770405441574
Energy: 2.6951583563911248
Energy: 2.4968770405444207
Energy: 2.342303031411143
Energy: 2.684613234482369
Energy: 2.5674814739181984
Energy: 2.6846132344829283

minimum gb energy = 1.922642801202497 eV
minimum distance =  2.31221843711056 Angstroms
sigma value = 5


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

Energy: 2.3986570087030987
Energy: 2.5894108319915943
Energy: 2.6091696151375587
Energy: 2.5894108319923963
Energy: 2.646651502377075
Energy: 2.5087739471383688
Energy: 2.2945643410589986
Energy: 2.5087739471383688
Energy: 1.9227751155741748
Energy: 2.5688080456133564
Energy: 2.717490013027375
Energy: 2.5688080456133564
Energy: 2.627473240230283
Energy: 2.439960440226331
Energy: 2.5921429949168084
Energy: 2.439960440227133
Energy: 2.170317130554446
Energy: 2.8344163130087194
Energy: 2.6262181406028864
Energy: 2.8344163130079174
Energy: 2.4284887553278773
Energy: 2.7944698654650146
Energy: 2.3050168329553613
Energy: 2.7944698654650146
Energy: 2.042845450144962
Energy: 2.542506743651195
Energy: 2.397736460805209
Energy: 2.5425067436519972
Energy: 2.3287039478506264
Energy: 2.7550927470280797
Energy: 2.3511015542086695
Energy: 2.755092747028882
Energy: 2.560973401117986
Energy: 2.9236167648320515
Energy: 2.1874570910850615
Energy: 2.9236167648320515
Energy: 2.554264254131918
Energy: 2.589355843512509
Energy: 2.3749306970620183
Energy: 2.5893558435133115
Energy: 2.2294765857772254
Energy: 2.754674833601323
Energy: 2.14819786909892
Energy: 2.754674833601323
Energy: 2.170837521113445
Energy: 2.5278176161251693
Energy: 2.565587990514993
Energy: 2.527817616125972
Energy: 2.872925400200959
Energy: 2.6480990879603254
Energy: 2.3726917231338582
Energy: 2.6480990879603254
Energy: 2.3997411561316557
Energy: 2.8450860713247845
Energy: 2.6818304187416695
Energy: 2.84508607132318
Energy: 2.794352628448779
Energy: 2.5957048272161782
Energy: 2.139805879886986
Energy: 2.5957048272161782
Energy: 2.1925904650604333
Energy: 2.5825172059588772
Energy: 2.628584068834347
Energy: 2.5825172059588772
Energy: 2.581876251928967
Energy: 2.40731130771887
Energy: 2.224756625619107
Energy: 2.4073113077196715
Energy: 2.433049207021324
Energy: 2.68871181017092
Energy: 2.463528914740369
Energy: 2.6887118101725256
Energy: 2.489986359887528
Energy: 2.5044279464770405
Energy: 2.226860754669427
Energy: 2.5044279464770405
Energy: 2.141664840713276
Energy: 2.858665635389757
Energy: 2.546299465405236
Energy: 2.858665635392164
Energy: 2.2305299552668423
Energy: 2.613077080964686
Energy: 2.7159485075535623
Energy: 2.6130770809654877
Energy: 2.362489776638566
Energy: 2.7323253162366137
Energy: 2.5605125572062453
Energy: 2.732325316238218
Energy: 2.414031506775007
Energy: 2.8051093863278
Energy: 2.0209813665986407
Energy: 2.8051093863278
Energy: 2.5746934588742496
Energy: 2.652141272793641
Energy: 2.2746840512203765
Energy: 2.652141272792839
Energy: 2.57046539584796
Energy: 2.701060443715905
Energy: 2.4174806860355194
Energy: 2.701060443715905
Energy: 2.605517560781483
Energy: 2.9025469978492837
Energy: 2.413648978901023
Energy: 2.902546997850086
Energy: 2.3418462928070625
Energy: 2.4909911538585225
Energy: 2.5061121669511444
Energy: 2.490991153859325
Energy: 2.75295043630487
Energy: 2.608151890709542
Energy: 2.1928105818207135
Energy: 2.6081518907087395
Energy: 2.2790928577985863
Energy: 2.5142404081966823
Energy: 2.567550764057435
Energy: 2.5142404081966823
Energy: 2.779110912966804
Energy: 2.6284270883114775
Energy: 2.4472612478255686
Energy: 2.6284270883114775
Energy: 2.295038538678366
Energy: 2.47239088048501
Energy: 2.799415492296647
Energy: 2.4723908804874166
Energy: 2.7177742533252864
Energy: 2.5594801524316586
Energy: 2.1117362028231588
Energy: 2.559480152430856
Energy: 2.3804516021466435
Energy: 2.574749865634967
Energy: 2.764357757122743
Energy: 2.574749865634967

minimum gb energy = 1.9227751155741748 eV
minimum distance =  2.30765244559327 Angstroms
sigma value = 1


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

Energy: 2.103970924972236
Energy: 2.633949335763373
Energy: 2.7259600809271514
Energy: 2.6339493357622636
Energy: 2.4481945601507786
Energy: 2.5278690441865925
Energy: 2.1603379927514053
Energy: 2.527869044193248
Energy: 1.7160131045299478
Energy: 2.77431048224144
Energy: 2.209117746766744
Energy: 2.7743104822392217
Energy: 2.3492533338980235
Energy: 2.549340144918754
Energy: 2.2092400990120353
Energy: 2.5493401449198627
Energy: 1.9307552968391946
Energy: 2.6602723820804526
Energy: 2.4540351897802384
Energy: 2.6602723820804526
Energy: 2.3985512907707123
Energy: 2.627629406952916
Energy: 2.4226212690975037
Energy: 2.627629406950698
Energy: 2.0273038684407956
Energy: 2.542861135504729
Energy: 2.4073827606727893
Energy: 2.542861135504729
Energy: 2.425331636548772
Energy: 2.7921167390071044
Energy: 2.3662567257983116
Energy: 2.7921167390026667
Energy: 2.353703869970024
Energy: 2.6119817551963553
Energy: 2.3482959432298505
Energy: 2.6119817551985736
Energy: 2.3536928726437853
Energy: 2.62920079227746
Energy: 2.53161320327601
Energy: 2.6292007922785694
Energy: 2.426921324648714
Energy: 2.803811926946128
Energy: 2.2464913922729517
Energy: 2.803811926947237
Energy: 2.0246737855007937
Energy: 2.4321952841866277
Energy: 2.2746339929233943
Energy: 2.4321952841899557
Energy: 2.3931541362424533
Energy: 2.6274113156553094
Energy: 2.4238243255196315
Energy: 2.6274113156497627
Energy: 1.9273997851008742
Energy: 2.644978515238501
Energy: 2.390687854806102
Energy: 2.644978515237391
Energy: 2.367003482056928
Energy: 2.531615814536146
Energy: 2.2124515142673418
Energy: 2.531615814536146
Energy: 1.7063022100474179
Energy: 2.7671641141117695
Energy: 2.360507537825663
Energy: 2.767164114117316
Energy: 2.3611848377689273
Energy: 2.527294716475914
Energy: 2.1548112567156865
Energy: 2.5272947163716895
Energy: 2.103970924972236
Energy: 2.633949335763373
Energy: 2.801998877709562
Energy: 2.6339493357622636
Energy: 2.448194560135248
Energy: 2.5278690442065597
Energy: 2.1603379927514053
Energy: 2.5278690442032317
Energy: 1.716013104531057
Energy: 2.77431048224144
Energy: 2.2091177383375693
Energy: 2.774310482240331
Energy: 2.349253333463379
Energy: 2.549340144918754
Energy: 2.2092400990120353
Energy: 2.5493401449198627
Energy: 1.9307552968380854
Energy: 2.6602723820815615
Energy: 2.4540351897802384
Energy: 2.6602723820815615
Energy: 2.3985512807326983
Energy: 2.6276294069495885
Energy: 2.4226212690975037
Energy: 2.627629406950698
Energy: 2.0273038684407956
Energy: 2.5428611355202584
Energy: 2.40738276067168
Energy: 2.5428611355202584

minimum gb energy = 1.7063022100474179 eV
minimum distance =  2.31463398819091 Angstroms
sigma value = 17


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

Energy: 2.311580085770084
Energy: 2.939757208038768
Energy: 2.5273865913790305
Energy: 2.939757208038768
Energy: 2.601667609714571
Energy: 2.5871518228307058
Energy: 2.287670089494426
Energy: 2.5871518228307058
Energy: 2.0856881003256276
Energy: 2.664060070480907
Energy: 2.8430221110044283
Energy: 2.6640600704802213
Energy: 2.3491763123508402
Energy: 2.608927433423581
Energy: 2.310596460922739
Energy: 2.608927433423581
Energy: 1.8840234469930317
Energy: 2.7462425724663873
Energy: 2.557898229916448
Energy: 2.746242572467073
Energy: 2.321617136652085
Energy: 2.7408001278803815
Energy: 2.679024720463785
Energy: 2.7408001278803815
Energy: 2.4385246107891287
Energy: 2.4648595605704084
Energy: 2.4025030895362924
Energy: 2.4648595605704084
Energy: 2.2894108272621443
Energy: 2.7091024227703095
Energy: 2.2456209752978307
Energy: 2.7091024227709952
Energy: 2.4091136404715545
Energy: 2.5060344277013016
Energy: 2.5226789233412865
Energy: 2.5060344277013016
Energy: 2.5721500560602695
Energy: 2.847773955094716
Energy: 2.536008214992149
Energy: 2.84777395509403
Energy: 2.4367136554516087
Energy: 2.6441061474530976
Energy: 2.311109125560616
Energy: 2.6441061474537837
Energy: 2.567859824166439
Energy: 2.668700477364572
Energy: 2.379358615954208
Energy: 2.668700477364572
Energy: 2.3563894135917165
Energy: 2.8228711610166846
Energy: 2.5224416066982407
Energy: 2.8228711610153137
Energy: 2.0967283770075436
Energy: 2.8322931370817375
Energy: 2.433903177187432
Energy: 2.8322931370824227
Energy: 2.5202001649368886
Energy: 2.6593852750264295
Energy: 2.460644023370255
Energy: 2.659385275028487
Energy: 2.302795011490714
Energy: 2.841472364722619
Energy: 2.6059453562000923
Energy: 2.841472364722619
Energy: 2.496311761106614
Energy: 2.5538200561034867
Energy: 2.2483727879248776
Energy: 2.5538200561034867
Energy: 2.0520012510534142
Energy: 2.840767774828622
Energy: 2.640951373404931
Energy: 2.8407677748272513
Energy: 2.441555644651874
Energy: 2.5910069043785073
Energy: 2.1935368486689764
Energy: 2.5910069043785073
Energy: 2.516147384289112
Energy: 2.5894302171551233
Energy: 2.655257235536277
Energy: 2.5894302171379824
Energy: 2.581871848610218
Energy: 2.6139235454207723
Energy: 2.3127292674322852
Energy: 2.6139235454207723
Energy: 2.000800618410244
Energy: 2.7700382296754116
Energy: 2.8529438931063087
Energy: 2.7700382296754116
Energy: 2.471911667390591
Energy: 2.76505785966107
Energy: 2.6202101171829275
Energy: 2.76505785966107
Energy: 2.3076303649538557
Energy: 2.644132640809826
Energy: 2.573836303437524
Energy: 2.64413264080914
Energy: 2.549154537172775
Energy: 2.913202222266937
Energy: 2.2015308237565985
Energy: 2.913202222269679
Energy: 2.130036021436891
Energy: 2.5138647793902424
Energy: 2.4249222738930905
Energy: 2.5138647793895563
Energy: 2.625020858555889
Energy: 2.9610501034084398
Energy: 2.361547150567167
Energy: 2.9610501034091254
Energy: 2.566833851036197
Energy: 2.78687927992748
Energy: 2.3462613429930252
Energy: 2.78687927992748
Energy: 2.4487249221656047
Energy: 2.7972376679423534
Energy: 2.2313566562881584
Energy: 2.7972376679423534
Energy: 2.5139532457666007
Energy: 2.8305021614412498
Energy: 2.2411307968877177
Energy: 2.8305021614412498
Energy: 2.3501807398432195
Energy: 2.641324351341046
Energy: 2.582818714678955
Energy: 2.641324351341046
Energy: 2.3433320584243438
Energy: 2.707527081714875
Energy: 2.5559429524144863
Energy: 2.707527081714875
Energy: 2.5441913447513054
Energy: 2.906362574159656
Energy: 2.5028552733990455
Energy: 2.906362574159656
Energy: 2.474435897172679
Energy: 2.5824893158626074
Energy: 2.3841579700681437
Energy: 2.5824893158619218
Energy: 1.9923623016469476
Energy: 2.929889724412625
Energy: 2.6531947499031077
Energy: 2.9298897244119395
Energy: 2.494146570868597
Energy: 2.504022324299205
Energy: 2.2917903256202723
Energy: 2.504022324303319
Energy: 2.669784423333429
Energy: 2.7676065588149514
Energy: 2.5002937356672517
Energy: 2.7676065588149514
Energy: 2.5517010344519355
Energy: 2.6953387270261375
Energy: 2.0997870772509053
Energy: 2.6953387270261375

minimum gb energy = 1.8840234469930317 eV
minimum distance =  2.29937389999958 Angstroms
sigma value = 89


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

Energy: 2.5909780432866514
Energy: 2.4762053493698253
Energy: 2.574457848284203
Energy: 2.476205349368031
Energy: 2.339015512181437
Energy: 2.551487068666574
Energy: 2.19056405936587
Energy: 2.5514870686683677
Energy: 1.7875074262456419
Energy: 2.873443331852929
Energy: 2.637304574773011
Energy: 2.8734503744576365
Energy: 2.2059063998537423
Energy: 2.823696122629681
Energy: 1.7928591813690073
Energy: 2.823696122636857
Energy: 2.4571236047323386
Energy: 2.474277299617716
Energy: 2.2585657941360866
Energy: 2.4742772996213036
Energy: 2.9397610552728555
Energy: 2.8226984957413244
Energy: 2.0382558378575952
Energy: 2.822698495927816
Energy: 2.029702383072218
Energy: 2.3595414666177734
Energy: 2.2593584286851733
Energy: 2.3595414667128134
Energy: 2.04201230019712
Energy: 3.0358027648582966
Energy: 1.9450511825944896
Energy: 3.035802765349643
Energy: 2.3334378810618923
Energy: 2.460030340532698
Energy: 2.202920930008874
Energy: 2.460030340532698
Energy: 2.2557372978560326
Energy: 3.0773817627393267
Energy: 2.48169233929131
Energy: 3.0773817627393267
Energy: 2.0542161132626555
Energy: 2.6087113995258777
Energy: 2.370757487405141
Energy: 2.6087113995258777
Energy: 2.2060641792565288
Energy: 2.6395505638092325
Energy: 2.1955608205390416
Energy: 2.6395505638038506
Energy: 1.8474009436832823
Energy: 2.636700946398278
Energy: 2.1799097011205224
Energy: 2.636700946398278
Energy: 2.165885911318246
Energy: 2.6060762452224013
Energy: 2.1612363157147305
Energy: 2.6060762452224013
Energy: 2.063857657488672
Energy: 2.6659305712172086
Energy: 1.9797178380347626
Energy: 2.6659305712172086

minimum gb energy = 1.7875074262456419 eV
minimum distance =  2.28384188186731 Angstroms
sigma value = 13


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

Energy: 2.5306110071335883
Energy: 2.5518814022954284
Energy: 2.4034893148068073
Energy: 2.55188140229994
Energy: 2.2694172422191525
Energy: 2.623025335636086
Energy: 1.7970429830138621
Energy: 2.623025335635334
Energy: 2.195401080557077
Energy: 2.6782532820766227
Energy: 2.4919815357229895
Energy: 2.6782532820766227
Energy: 2.180064253737075
Energy: 2.617792473664168
Energy: 1.822792719148657
Energy: 2.617792473665672
Energy: 2.1629885608765522
Energy: 2.621345434278334
Energy: 2.369860246924082
Energy: 2.621345434276078
Energy: 2.450029064469908
Energy: 2.731541685431389
Energy: 2.1284080378213854
Energy: 2.7315416854261256
Energy: 2.215416656073013
Energy: 2.6645855773419447
Energy: 2.42012915883323
Energy: 2.664585577343449
Energy: 2.4882848659299923
Energy: 2.762391237844204
Energy: 2.1233356216692307
Energy: 2.762391237844204
Energy: 2.191066508094166
Energy: 2.521602570269286
Energy: 2.3216190239580237
Energy: 2.5216025702722944
Energy: 2.326449761344974
Energy: 2.924078704847498
Energy: 2.0349060047322998
Energy: 2.9240787048444905
Energy: 2.1228936907674183
Energy: 2.6868007088950416
Energy: 2.2924807464640056
Energy: 2.6868007088950416
Energy: 2.403320087428079
Energy: 2.829385971955348
Energy: 1.9951261527871873
Energy: 2.829385971956852
Energy: 2.3406221595127668
Energy: 2.754782556836266
Energy: 2.4069333746128874
Energy: 2.754782556836266
Energy: 2.3048787807042017
Energy: 2.875966211754308
Energy: 2.1166300051378655
Energy: 2.8759662117528038
Energy: 2.3159837575584103
Energy: 2.667913011666046
Energy: 2.444853340552457
Energy: 2.667913011666798
Energy: 2.2098867816101695
Energy: 2.5093081295688924
Energy: 2.258977897271999
Energy: 2.5093081336620155
Energy: 2.235676369607932
Energy: 2.7459860847650854
Energy: 2.119576276158192
Energy: 2.7459860847650854
Energy: 2.5918561463400493
Energy: 2.8534439627309043
Energy: 2.2483817400005526
Energy: 2.8534439627294015
Energy: 2.396070021566359
Energy: 2.943576730995797
Energy: 2.217062604929868
Energy: 2.943576730999557
Energy: 2.395165729522173
Energy: 2.9498530400875675
Energy: 2.2105966029306843
Energy: 2.9498530400898235
Energy: 2.4421031405745546
Energy: 2.829273666586713
Energy: 2.2449903065853656
Energy: 2.8292736665837057
Energy: 2.1860294472244877
Energy: 2.7340711561630964
Energy: 2.1383791620714105
Energy: 2.7340711561864057
Energy: 2.2078829116752914
Energy: 2.7762152976983754
Energy: 2.25177096426623
Energy: 2.7762152976968717
Energy: 2.3118786049617386
Energy: 2.6855299299493374
Energy: 2.357931430327624
Energy: 2.6855299299485855
Energy: 2.311574597598446
Energy: 2.8633895666597917
Energy: 2.1186519907461974
Energy: 2.8633895666582876
Energy: 2.3126798981863743
Energy: 2.7775790421047137
Energy: 2.4373551018265314
Energy: 2.7775790421039623
Energy: 2.4014783739359187
Energy: 2.8010506905892756
Energy: 1.9517603897147136
Energy: 2.8010506906592045
Energy: 2.123047201017218
Energy: 2.7767208444016016
Energy: 2.2501241843060713
Energy: 2.7767208444000975
Energy: 2.3195256091635463
Energy: 2.912724925641379
Energy: 2.0404983865070543
Energy: 2.9127249256421313
Energy: 2.1854835652013564
Energy: 2.5036461972855193
Energy: 2.3624875552430047
Energy: 2.503646197287775
Energy: 2.506118167568119
Energy: 2.771853471069617
Energy: 2.1262230061835377
Energy: 2.771853471069617
Energy: 2.2169548912134847
Energy: 2.602480401854999
Energy: 2.4080455990008014
Energy: 2.602480401855751
Energy: 2.544580737232043
Energy: 2.726173601032324
Energy: 2.1316296416714144
Energy: 2.7261736010300686
Energy: 2.209645919799962
Energy: 2.6144913646672676
Energy: 2.295247871053579
Energy: 2.6144913646650116
Energy: 2.200340793499481
Energy: 2.6329484766406828
Energy: 1.8207065280559926
Energy: 2.632948476645946

minimum gb energy = 1.7970429830138621 eV
minimum distance =  2.2915446709645 Angstroms
sigma value = 37


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

Energy: 2.0142569433893547
Energy: 2.7650324983143553
Energy: 2.6046386667730976
Energy: 2.765032498304035
Energy: 2.1920365188924795
Energy: 2.444594847462239
Energy: 1.7424416807919259
Energy: 2.4445948474635326
Energy: 1.987548212248284
Energy: 2.5896888026502367
Energy: 2.04042783717507
Energy: 2.5896877399710916
Energy: 2.144577708644325
Energy: 2.638472246475495
Energy: 1.4661118061603624
Energy: 2.6384722464729076
Energy: 1.4610083373679008
Energy: 2.7360126147031174
Energy: 2.1950330488030003
Energy: 2.736012614850535
Energy: 2.05403051001983
Energy: 2.632289071817053
Energy: 1.7472840168285535
Energy: 2.6322890673985992
Energy: 1.9265302329163452
Energy: 2.355169807274574
Energy: 2.139656450168985
Energy: 2.3551703437082403
Energy: 2.8705072562534557
Energy: 2.738951494140185
Energy: 2.2251764177365656
Energy: 2.7389514941388913
Energy: 1.7280709492690984
Energy: 2.3919987429623903
Energy: 2.234057364924509
Energy: 2.3919987429623903
Energy: 1.9843384981199836
Energy: 2.7456730973238557
Energy: 1.7424938179239022
Energy: 2.745673097322562
Energy: 1.8063391796079562
Energy: 2.5997498656510816
Energy: 2.09903097216313
Energy: 2.5997498656510816
Energy: 2.081066520971698
Energy: 2.810790614628109
Energy: 1.7802651448219133
Energy: 2.810790614628109
Energy: 1.7616456181572282
Energy: 2.6656827659931843
Energy: 1.897329251015024
Energy: 2.6656827659931843
Energy: 2.1175892029112102
Energy: 2.729129984334631
Energy: 1.9390590551631655
Energy: 2.729129984334631
Energy: 2.230877721505142
Energy: 2.921039713491087
Energy: 2.669712087456076
Energy: 2.921039713491087
Energy: 2.098749807013864
Energy: 2.835221249210044
Energy: 2.1231019616767908
Energy: 2.8352212492126316
Energy: 1.7743374825705653
Energy: 2.7259766858928085
Energy: 2.1037527553621223
Energy: 2.725976685891515
Energy: 1.9848711074730863
Energy: 2.386827175514562
Energy: 1.922663701525502
Energy: 2.3868271755171198
Energy: 1.638585928704433
Energy: 2.962873718356157
Energy: 1.633432489802685
Energy: 2.9628737243418453
Energy: 1.9635157353660107
Energy: 2.518265369279315
Energy: 2.092485424150327
Energy: 2.5182653692806087

minimum gb energy = 1.4610083373679008 eV
minimum distance =  2.29045905490656 Angstroms
sigma value = 25


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

Energy: 2.1630269239005173
Energy: 2.4243720069393637
Energy: 2.3813082589810004
Energy: 2.4243720069322925
Energy: 2.1736387731585705
Energy: 2.4030993759211747
Energy: 1.6420399367335607
Energy: 2.4030993759171344
Energy: 1.934778951882852
Energy: 2.5690020892569088
Energy: 2.416604636968521
Energy: 2.5690020892558985
Energy: 2.1971540063524615
Energy: 2.5156055902952357
Energy: 1.809839403349615
Energy: 2.515605590269981
Energy: 1.7315983853432584
Energy: 2.4866905942020656
Energy: 2.2273276377874955
Energy: 2.4866905942040862
Energy: 2.110310844785756
Energy: 2.5797921895126072
Energy: 1.7525010247551263
Energy: 2.5797921895126072
Energy: 1.799548081889763
Energy: 2.6200976698322056
Energy: 2.2092305560063887
Energy: 2.6200976698322056
Energy: 2.0161984505498913
Energy: 2.713522829611723
Energy: 1.9538082973753248
Energy: 2.713522829610713
Energy: 1.8635441092960237
Energy: 2.4526122991541035
Energy: 2.2172086845402053
Energy: 2.4526122991541035
Energy: 2.5066967712986368
Energy: 2.415581298707655
Energy: 2.0890979707528445
Energy: 2.4155812987086653
Energy: 1.6986375578662967
Energy: 2.5157226196120868
Energy: 2.1033805053275136
Energy: 2.5157226196120868
Energy: 2.0261651612997844
Energy: 2.7488290555635064
Energy: 2.061598792651338
Energy: 2.7488290555635064
Energy: 1.8794438083771328
Energy: 2.549346878380817
Energy: 2.110649039517167
Energy: 2.549346878379807
Energy: 2.053018098107197
Energy: 2.668930551800985
Energy: 1.709363071998536
Energy: 2.6689305517848223
Energy: 1.6169271780474461
Energy: 2.685943792586648
Energy: 2.007850013268586
Energy: 2.6859437925876577
Energy: 2.242398400615597
Energy: 2.562669313932189
Energy: 1.9855476025297203
Energy: 2.5626693142229824
Energy: 1.9346205363513198
Energy: 2.6836478867243705
Energy: 1.9538057212327646
Energy: 2.6836478867253803
Energy: 2.083598106322076
Energy: 2.5503936871540303
Energy: 1.8432964849052444
Energy: 2.5503936871206943
Energy: 2.0317333593397793
Energy: 2.6232290222658805
Energy: 2.2694054499522713
Energy: 2.6232290222638603
Energy: 2.2010903296103663
Energy: 2.5251748653218677
Energy: 2.1030743482814693
Energy: 2.5251748653208574
Energy: 1.8611000669139997
Energy: 2.4749141457913035
Energy: 1.8339085777523196
Energy: 2.4749141459801143
Energy: 2.0542956866087625
Energy: 2.7723953340592007
Energy: 1.7715519253359735
Energy: 2.7723953350336075
Energy: 1.864499452608238
Energy: 2.626291333703048
Energy: 1.9146069945704418
Energy: 2.6262913335768223
Energy: 1.9598747519845887
Energy: 2.623412901119066
Energy: 1.8388463040288088
Energy: 2.623412901119066
Energy: 1.9145025269247153
Energy: 2.7074159363719263
Energy: 2.2215058343573206
Energy: 2.707415936300204
Energy: 1.903336051430668
Energy: 2.7099536008953233
Energy: 1.8013154589999627
Energy: 2.7099536008953233

minimum gb energy = 1.6169271780474461 eV
minimum distance =  2.28743712682725 Angstroms
sigma value = 41


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

Energy: 1.8471817025304638
Energy: 2.478650343531228
Energy: 2.3976321048190874
Energy: 2.478650343531228
Energy: 2.0817915076486377
Energy: 2.3447989575462747
Energy: 1.5335503619888649
Energy: 2.3447989575454464
Energy: 1.7162547631123002
Energy: 2.3296460758551563
Energy: 2.470876635395681
Energy: 2.329646075855985
Energy: 2.022384707755435
Energy: 2.348367396697346
Energy: 1.5012346601783564
Energy: 2.3483673966932055
Energy: 1.42908007384678
Energy: 2.460701064593256
Energy: 2.3546618426640338
Energy: 2.460701064593256
Energy: 2.19637046453498
Energy: 2.3741442677024933
Energy: 1.262724569249312
Energy: 2.374144267701665
Energy: 1.3928534424446846
Energy: 2.5016989886344545
Energy: 2.2626565642515897
Energy: 2.5016989886352823
Energy: 2.097092507581537
Energy: 2.5529134435939476
Energy: 1.438247322145658
Energy: 2.5529134435939476
Energy: 1.5158567715199558
Energy: 2.294102587496122
Energy: 2.2141918518691357
Energy: 2.294102587491981
Energy: 1.9925071899886924
Energy: 2.328866349897188
Energy: 1.6213926597967667
Energy: 2.328866349898016
Energy: 1.5414917810444737
Energy: 2.4042675908320312
Energy: 2.132255181825824
Energy: 2.4042675908320312
Energy: 2.2898891422054932
Energy: 2.48807544158607
Energy: 1.845732740155248
Energy: 2.488075441586899
Energy: 1.5488325927449804
Energy: 2.3669218869942434
Energy: 2.0790136551529756
Energy: 2.3669218869950712
Energy: 1.8499180079581317
Energy: 2.4253493300240008
Energy: 1.6449943884265321
Energy: 2.4253493300240008
Energy: 1.6588584095619834
Energy: 2.4873972024150395
Energy: 2.0317269973689003
Energy: 2.4873972024150395
Energy: 1.8801135508892797
Energy: 2.600628679674003
Energy: 1.4450396058447443
Energy: 2.600628679675659
Energy: 1.4031922299405852
Energy: 2.39533343093191
Energy: 1.8990116144449403
Energy: 2.39533343093191
Energy: 2.0647753576590038
Energy: 2.484653995262077
Energy: 1.2630149005659228
Energy: 2.4846539952612487
Energy: 1.5391496718810667
Energy: 2.6647533858053656
Energy: 1.8726415666492808
Energy: 2.664753385806194
Energy: 2.011702466437354
Energy: 2.4971929815319993
Energy: 1.4003145021947645
Energy: 2.4971929815278586
Energy: 1.7205400248157579
Energy: 2.6493257623199242
Energy: 1.8629017228259748
Energy: 2.6493257623207525
Energy: 2.0684819538942127
Energy: 2.2832736770919406
Energy: 1.5565077587728546
Energy: 2.283273678336166
Energy: 1.9748969530367437
Energy: 2.579618127403126
Energy: 2.2720297787278865
Energy: 2.579618127403126
Energy: 2.0069890107225787
Energy: 2.4104371065767207
Energy: 1.885949636194695
Energy: 2.4104371065750643
Energy: 1.7031946450631772
Energy: 2.4785473656372297
Energy: 2.0328718262802425
Energy: 2.4785473656397143
Energy: 2.002181094057208
Energy: 2.4960095456543607
Energy: 1.6550518614100287
Energy: 2.4960095456543607
Energy: 1.5601817295164784
Energy: 2.755292540502363
Energy: 1.8544750652450435
Energy: 2.7552925405031905
Energy: 1.816978403095988
Energy: 2.6037360858063994
Energy: 1.5391509388097826
Energy: 2.603736085805571
Energy: 1.466096238660064
Energy: 2.4122593378873165
Energy: 1.9589211840977787
Energy: 2.4122593378418418
Energy: 1.9492454624667575
Energy: 2.4829514329343927
Energy: 1.6294188255461768
Energy: 2.482951432933565
Energy: 1.4053398262483336
Energy: 2.6854640348087404
Energy: 2.080320041673408
Energy: 2.6854640348087404
Energy: 1.8613509143873623
Energy: 2.670309976518481
Energy: 1.8456765734122957
Energy: 2.670309978170771

minimum gb energy = 1.262724569249312 eV
minimum distance =  2.31843904534049 Angstroms
sigma value = 15


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

Energy: 1.89306787439054
Energy: 2.3221487954526334
Energy: 2.3129094276495334
Energy: 2.322148795457544
Energy: 2.052682726986321
Energy: 2.3012803827957025
Energy: 1.3749794734065128
Energy: 2.301280382795001
Energy: 1.5889020680742165
Energy: 2.3480218542644664
Energy: 2.427126669787942
Energy: 2.3480218542637648
Energy: 1.9923150697699297
Energy: 2.31223539253634
Energy: 1.4935894507110523
Energy: 2.3122353925370414
Energy: 1.5124499626258545
Energy: 2.3390763950582265
Energy: 2.2669072169448112
Energy: 2.339076395058928
Energy: 1.8831496104517431
Energy: 2.35610317323726
Energy: 1.492951230306767
Energy: 2.35610317323726
Energy: 1.2539412409201025
Energy: 2.451691181234889
Energy: 2.254939455276841
Energy: 2.4516911812383975
Energy: 1.978847904307613
Energy: 2.4433733503906243
Energy: 1.277576883616163
Energy: 2.443373350389922
Energy: 1.3879619617621501
Energy: 2.3796622527151268
Energy: 2.203056435173599
Energy: 2.379662252713724
Energy: 1.8228956696124305
Energy: 2.437777294719636
Energy: 1.2828759581774052
Energy: 2.437777294719636
Energy: 1.4875167082710812
Energy: 2.3015813947879904
Energy: 2.138370559348361
Energy: 2.3015813947879904
Energy: 1.8266396245491905
Energy: 2.4221941975838828
Energy: 1.6022395518264818
Energy: 2.4221941975831816
Energy: 1.525194267410742
Energy: 2.2807625681197314
Energy: 2.0641383264461814
Energy: 2.280762568120433
Energy: 2.175116024602471
Energy: 2.367069349235768
Energy: 1.6592463353926532
Energy: 2.36706934923647
Energy: 1.520021388662239
Energy: 2.3694397709708603
Energy: 2.043727519395396
Energy: 2.3694397709715624
Energy: 1.753992400687908
Energy: 2.4119818542806297
Energy: 1.5738609377007222
Energy: 2.411981854281331
Energy: 1.4843577420209906
Energy: 2.407067049685873
Energy: 2.0428768977000136
Energy: 2.4070670496872757
Energy: 1.8077756880322597
Energy: 2.378882682443081
Energy: 1.2958367627347167
Energy: 2.378882682440976
Energy: 1.4729751769374464
Energy: 2.4375471497677745
Energy: 1.8791441762912564
Energy: 2.437547149764968
Energy: 1.8774045092676739
Energy: 2.5163571908951075
Energy: 1.2735558953850301
Energy: 2.5163571908958087
Energy: 1.4868113166751638
Energy: 2.4382577749571483
Energy: 1.8929110160750255
Energy: 2.4382577749557455
Energy: 1.8796023607053993
Energy: 2.4201859269070973
Energy: 1.2675917814901194
Energy: 2.4201859269070973
Energy: 1.5093909528835057
Energy: 2.5777314958892283
Energy: 1.8186776260808055
Energy: 2.577731495881511
Energy: 2.02614998754945
Energy: 2.4031717965551858
Energy: 1.2756779922224284
Energy: 2.4031717965572903
Energy: 1.6678836143441664
Energy: 2.610993699447883
Energy: 1.837628002281001
Energy: 2.610993699447883
Energy: 1.985777106512811
Energy: 2.4222572512656484
Energy: 1.147257132996668
Energy: 2.4222572512656484
Energy: 1.8455998077326228
Energy: 2.415280947721137
Energy: 2.1597295892035397
Energy: 2.415280947721137
Energy: 2.042575599089427
Energy: 2.333670909228952
Energy: 1.8477479788001974
Energy: 2.3336709092282506
Energy: 1.668139303033776
Energy: 2.504037138097322
Energy: 1.9973764527340656
Energy: 2.5040371380959185
Energy: 1.9388827826234765
Energy: 2.4543075045268314
Energy: 1.6368642791167134
Energy: 2.454307504525428
Energy: 1.497257336465344
Energy: 2.512040089971311
Energy: 1.7978435469246556
Energy: 2.512040089971311
Energy: 1.8444334611089095
Energy: 2.511726814300576
Energy: 1.7230171102199068
Energy: 2.511726814300576
Energy: 1.4960184304233253
Energy: 2.596128448748358
Energy: 1.9549613299973223
Energy: 2.596128448747656
Energy: 1.818773118272044
Energy: 2.6758177360705444
Energy: 1.479365244210454
Energy: 2.6758177360698427
Energy: 1.3422343264509509
Energy: 2.500459717292087
Energy: 1.9989219367514361
Energy: 2.5004597172850715
Energy: 1.8186178653169403
Energy: 2.7162832298241364
Energy: 1.5912007121017389
Energy: 2.716283229824838
Energy: 1.6290867925584007
Energy: 2.4459054111812777
Energy: 2.1051549122941835
Energy: 2.4459054111812777

minimum gb energy = 1.147257132996668 eV
minimum distance =  2.32314548740945 Angstroms
sigma value = 85


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

Energy: 1.7618204199154548
Energy: 2.322409466695537
Energy: 1.986948487156493
Energy: 2.322409466693103
Energy: 2.045268327049994
Energy: 2.270923997950238
Energy: 1.2005060196570816
Energy: 2.2709239979617712
Energy: 1.531970813034128
Energy: 2.3163771144466208
Energy: 2.2630775697878667
Energy: 2.3163771144466208
Energy: 2.0808986049258227
Energy: 2.2746155402286523
Energy: 1.211997486712522
Energy: 2.2746155402298696
Energy: 1.4330531948358294
Energy: 2.3097788428952764
Energy: 2.087988604848041
Energy: 2.309778842894668
Energy: 2.0292019601579314
Energy: 2.376682834431892
Energy: 1.2574268227417669
Energy: 2.376682834432501
Energy: 1.2230412013660032
Energy: 2.4215617440279096
Energy: 2.1245926740095045
Energy: 2.4215617440285184
Energy: 1.8683819917106383
Energy: 2.363750785043085
Energy: 1.1279583647342897
Energy: 2.3637507850424764
Energy: 1.2290272959526536
Energy: 2.4124544246128536
Energy: 1.9807725888631875
Energy: 2.4124544246110284
Energy: 2.0072746909480954
Energy: 2.3950973417963115
Energy: 1.2107668758744856
Energy: 2.395097341795703
Energy: 1.1573812694254377
Energy: 2.3079417280306878
Energy: 2.070085810012106
Energy: 2.307941728031296
Energy: 1.7771420621153988
Energy: 2.338009665690452
Energy: 1.327895690409926
Energy: 2.3380096656898437
Energy: 1.3201812909814485
Energy: 2.3267890159750046
Energy: 2.002501793719653
Energy: 2.3267890159750046
Energy: 1.6638277470535585
Energy: 2.401661764517349
Energy: 1.521754621612903
Energy: 2.401661764517957
Energy: 1.3287810095832961
Energy: 2.2985975013399664
Energy: 2.0495782998077074
Energy: 2.298597501340575
Energy: 1.9468247907023346
Energy: 2.2882502265044016
Energy: 1.5739697435220221
Energy: 2.2882502265044016
Energy: 1.327168928595568
Energy: 2.390240872733285
Energy: 2.0226963760839527
Energy: 2.390240872732068
Energy: 1.7016566733926535
Energy: 2.4378461589323805
Energy: 1.5245868978636818
Energy: 2.437846158931772
Energy: 1.275257274430542
Energy: 2.387464878378726
Energy: 1.9963164664330335
Energy: 2.387464878375075
Energy: 1.7158818710282817
Energy: 2.3124283188986285
Energy: 1.3363020615399475
Energy: 2.3124283188986285
Energy: 1.3631439678042228
Energy: 2.4608540548125784
Energy: 1.9613670847941738
Energy: 2.4608540548125784
Energy: 1.8229099544282783
Energy: 2.460762977345631
Energy: 1.2248136349358734
Energy: 2.460762977345631
Energy: 1.2272019895936415
Energy: 2.403259722442087
Energy: 1.8657487552609604
Energy: 2.403259722442087
Energy: 1.842537471088134
Energy: 2.3342676600454975
Energy: 1.1197672452707237
Energy: 2.3342676599658136
Energy: 1.3912822454440452
Energy: 2.586950318020728
Energy: 1.856367126300685
Energy: 2.5869503180231623
Energy: 1.9349440219745715
Energy: 2.3632451023086825
Energy: 1.236796410683031
Energy: 2.3632451023068572
Energy: 1.4151458234729106
Energy: 2.380430659342489
Energy: 1.7598879552848454
Energy: 2.3804306593430975
Energy: 1.9849967404540598
Energy: 2.2856370429792285
Energy: 1.5245494965113355
Energy: 2.2856370429804453
Energy: 1.6995014485241888
Energy: 2.5755330976920328
Energy: 1.682745446287787
Energy: 2.5755330976914244
Energy: 2.0349111349816145
Energy: 2.283223631451526
Energy: 1.2925636932387645
Energy: 2.283223631450918
Energy: 1.7525834292593683
Energy: 2.337925526537952
Energy: 1.932954147279052
Energy: 2.337925526538561
Energy: 1.9990956998010316
Energy: 2.431058404745893
Energy: 1.2977318144585723
Energy: 2.431058404745893
Energy: 1.701262775474684
Energy: 2.4661173666477283
Energy: 1.8636695346007797
Energy: 2.4661173666483363
Energy: 2.0188808922991854
Energy: 2.4037443264342
Energy: 1.359859205191658
Energy: 2.4037443264329825
Energy: 1.4149777124289162
Energy: 2.452787306355769
Energy: 1.7169699652527017
Energy: 2.4527873063545518
Energy: 1.8523092221335185
Energy: 2.496654072821496
Energy: 1.4457949833063024
Energy: 2.496654072821496
Energy: 1.4030802726164788
Energy: 2.5163761706572587
Energy: 1.8881213069005667
Energy: 2.516376170651174
Energy: 1.8615018611789214
Energy: 2.525072731836895
Energy: 1.302481145626824
Energy: 2.5250727318393293
Energy: 1.2077449603425459
Energy: 2.5686482216851396
Energy: 1.914020105891014
Energy: 2.5686482216851396
Energy: 1.730512139781284
Energy: 2.757386331199133
Energy: 1.5056557671355595
Energy: 2.757386331199133
Energy: 1.4664890845444978
Energy: 2.5066183951064134
Energy: 2.0520233947133426
Energy: 2.5066183951082395
Energy: 1.7820886429980058
Energy: 2.4712888771900126
Energy: 1.5925542397403643
Energy: 2.471288877183928
Energy: 1.4441270497114762
Energy: 2.2156044796593144
Energy: 2.0528220645786943
Energy: 2.215004894051477

minimum gb energy = 1.1197672452707237 eV
minimum distance =  2.31193744659708 Angstroms
sigma value = 113


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

Energy: 0.020541966790605312
Energy: 2.3535995673441517
Energy: 1.6845786811905985
Energy: 2.3535995673446197
Energy: 1.3641426298773012
Energy: 2.19711025064413
Energy: 0.43366063664846666
Energy: 2.197110250644598
Energy: 0.020541966790605312
Energy: 2.3535995673441517
Energy: 1.6226362887513373
Energy: 2.3535995673450354
Energy: 1.3641426298777688
Energy: 2.19711025064413
Energy: 0.4336606366479989
Energy: 2.1971102506450135
Energy: 0.020541966790605312
Energy: 2.3535995673441517
Energy: 1.5975236258357548
Energy: 2.3535995673446197
Energy: 1.3641426298773012
Energy: 2.1971102506450135
Energy: 0.4336606366479989
Energy: 2.1971102506450135

minimum gb energy = 0.020541966790605312 eV
minimum distance =  2.45914922135809 Angstroms
sigma value = 1