Model name: model_name=MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450350014532299
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.44846235384514e-19, 3.22705611090378e-19, 3.8083898807843395e-19, 4.2789331364237998e-19, 4.6747188303208195e-19, 5.014941038550719e-19, 5.311327694074379e-19, 5.57166537533304e-19, 5.80149761348034e-19, 6.004909958932979e-19, 6.18501063436092e-19, 6.34434710061222e-19, 6.484954122012059e-19, 6.608449896960779e-19, 6.71621229736362e-19, 6.8094429556960795e-19, 6.889119199704899e-19, 6.95613824830512e-19, 7.01125312451472e-19, 7.05515276428632e-19, 7.08844599474084e-19, 7.1116455124011595e-19, 7.12524799202382e-19, 7.1296860213e-19, 7.124879491398e-19, 7.109322356281859e-19, 7.0809798516264e-19, 7.037464734246959e-19, 6.97590910796868e-19, 6.89283624949578e-19, 6.784032434280839e-19, 6.64435467532872e-19, 6.4675224402341395e-19, 6.245749150555859e-19, 5.969405724723539e-19, 5.626379707384139e-19, 5.20143439874832e-19, 4.67510335271298e-19, 4.02240863555406e-19, 3.21081003983502e-19, 2.1974653623626997e-19, 9.252169517191499e-20, -6.83413249762602e-20, -2.73526799309748e-19, -5.380541724663179e-19, -8.835058852295938e-19, -1.3417428221432999e-18, -1.9611763523803798e-18, -2.8180845033089394e-18, -4.03794974890386e-18, -5.8381714366325995e-18, -8.6213925763857e-18, -1.3199708438638738e-17, -2.14119691897662e-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: 0.022155128480445162
Energy: 0.022954027195660687
Energy: 1.8039648860190955
Energy: 1.368817846729907
Energy: 1.4001858606527349
Energy: 0.5004065604557103
Energy: 0.02277419066783494
Energy: 0.022863080135048307
Energy: 1.3900503834900402
Energy: 0.40138080773745477
Energy: 0.8709579657280196
Energy: 0.9741053089266667
Energy: 0.023296757172268034
Energy: 0.15439855651156326
Energy: 0.022600848116887187
Energy: 1.3904719651404156
Energy: 1.2155315993459401
Energy: 1.2178114977819547
Energy: 0.8719454383228019
Energy: 0.15293576475386167
Energy: 0.15458625660795186
Energy: 0.025541367874692165
Energy: 0.8727557714487179
Energy: 1.215562180852626
Energy: 1.3688316090628705
Energy: 1.4014860445979265
Energy: 0.15348751536166905
Energy: 0.023153013659900478
Energy: 1.695695702589156
Energy: 1.3947849682986209
Energy: 0.4013245301391867
Energy: 0.8709006873580734
Energy: 0.9739768052748785
Energy: 0.022922897931434344
Energy: 0.15252332499905522
Energy: 0.022585522759439605
Energy: 1.277895086830486
Energy: 1.214589628172068
Energy: 1.2172240742447584
Energy: 1.101076600683014
Energy: 0.15280524827861883
Energy: 0.15456094048472624

minimum gb energy = 0.022155128480445162 eV
minimum distance =  2.46822105074154 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.772975402199449
Energy: 1.725082087846562
Energy: 1.8841155718532292
Energy: 2.0670347750704177
Energy: 1.9804827493581298
Energy: 1.923026116022436
Energy: 1.7737498383895187
Energy: 1.604194419115121
Energy: 1.8941941643375433
Energy: 1.6620170165502461
Energy: 2.0378079551608965
Energy: 1.8858148862128632
Energy: 1.7031602514131983
Energy: 1.9159343096734882
Energy: 1.9118127028621803
Energy: 1.8942563728164081
Energy: 1.915519480165633
Energy: 1.9350683061837612
Energy: 1.8190991260397782
Energy: 1.9145214453650805
Energy: 1.8050844783863185
Energy: 1.670081536962289
Energy: 1.9662135360080724
Energy: 1.7208783103891523
Energy: 1.8820253693814994
Energy: 1.902724339465968
Energy: 1.649008020401712
Energy: 1.8593541897159334
Energy: 1.8845254873298902
Energy: 1.7732358560701749
Energy: 1.7694892953705532
Energy: 1.6506891101828978
Energy: 1.8111768577193867
Energy: 1.9190119178410223
Energy: 1.9190188721408503
Energy: 1.743443523959834
Energy: 1.7657860487844381
Energy: 1.7092708979070907
Energy: 1.6427652218676467
Energy: 1.9483762624432737
Energy: 1.7165536932434233
Energy: 2.1024187775928933
Energy: 1.7996710953964374
Energy: 1.977201399833753
Energy: 1.8014691683259438
Energy: 1.8703991538348033
Energy: 1.8237105094425328
Energy: 1.8342443188052016
Energy: 1.9166966213997818
Energy: 1.7058174142736084
Energy: 1.9587532733482165
Energy: 1.8054641943356589
Energy: 1.7886260179678328
Energy: 1.86258485190984
Energy: 1.7487003047602305
Energy: 1.656290606435408
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Energy: 1.750692096008178
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Energy: 1.8892378801075227
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Energy: 1.8188572560295804
Energy: 1.7975601780976231
Energy: 1.6556676300874076
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Energy: 1.8426416063407338
Energy: 2.0491490530983785
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Energy: 1.7096032984421523
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Energy: 1.8847430899667046
Energy: 1.750979585091405
Energy: 1.8493789489667682
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Energy: 1.825908235532357
Energy: 1.86001235867614
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Energy: 1.8603368262806912
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Energy: 1.9425837962843644
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Energy: 1.9360778669412853
Energy: 1.840589518078986
Energy: 1.7679990809385682
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Energy: 1.802878700256699
Energy: 1.8664710013698955
Energy: 1.7644779319185926
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Energy: 1.7296715125352538
Energy: 1.8614211176325621
Energy: 1.6889352680529472
Energy: 1.809650176186022
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Energy: 1.8490172349992033
Energy: 1.7678784990099505
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Energy: 1.9085150508721678
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Energy: 1.9533715760478778
Energy: 1.8701053826469323
Energy: 1.746153489714221
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Energy: 1.774886950393882
Energy: 1.7313581774708526
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Energy: 1.6550299473288979
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Energy: 1.7742552230305901
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Energy: 1.90824758584425
Energy: 1.912429596650707
Energy: 1.9188957017498545
Energy: 1.814727892934285
Energy: 1.7217622479543289
Energy: 1.6337177196864727
Energy: 1.7716044952528003
Energy: 1.7808903321903233
Energy: 1.9797743458934858
Energy: 1.9303393194365286
Energy: 1.7774218645405528
Energy: 1.8930252957444351
Energy: 1.761873382305998
Energy: 1.896446631583835
Energy: 1.858583821928689
Energy: 1.8850091973333096
Energy: 1.8458125881971306
Energy: 1.7925631276896583
Energy: 1.8017718961433735
Energy: 1.6706465382352513
Energy: 1.9612474482688647
Energy: 1.7365723877268096
Energy: 1.880080658617853
Energy: 1.783594019985768
Energy: 1.7931524394691951
Energy: 1.847023990096866
Energy: 1.8944281067136757
Energy: 1.773258012116656
Energy: 1.769703581586919
Energy: 1.6532034158254694
Energy: 1.8380255639566654
Energy: 1.9192452698319606
Energy: 2.0633995249720845
Energy: 1.7460175061227217
Energy: 1.9998573828405768
Energy: 1.7692858225846813
Energy: 1.655529637096847
Energy: 1.90365993944881
Energy: 1.8798389790694883
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Energy: 1.7997598622152504
Energy: 1.9477673473572925
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Energy: 1.8807431805485624
Energy: 1.823397565507181
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Energy: 1.8722479125706921
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Energy: 1.769773633779205
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Energy: 1.8789849604022364
Energy: 1.7548396374472206
Energy: 1.7689816777778815
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Energy: 1.759383538425261
Energy: 1.7747989255428585
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Energy: 1.6403829115130972
Energy: 1.890134810448746
Energy: 2.0266621478041245
Energy: 1.7934369915852393
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Energy: 1.8801999057478787
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Energy: 1.840653868549543
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Energy: 1.8845632705640094
Energy: 1.623593702788182
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Energy: 1.8078252950798466
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Energy: 1.8362650919760302
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Energy: 1.7735976229372472
Energy: 1.7239623009953966
Energy: 1.8511883664135036
Energy: 1.9107515947872524
Energy: 1.758441713821443
Energy: 1.8587470077848567
Energy: 1.6739242695049565
Energy: 1.9848670530255745
Energy: 1.8839507008383738
Energy: 1.6370598096387212
Energy: 2.01462628556115
Energy: 1.8994030662142551
Energy: 1.8521467467661648
Energy: 1.848112832022669
Energy: 1.7606247509743713
Energy: 1.9272633419386207
Energy: 1.8431054236038409
Energy: 1.8957863148677858
Energy: 1.68897208074318
Energy: 1.8369661964956097
Energy: 1.7577652829382469
Energy: 1.8503618862547435
Energy: 1.8229707635112413
Energy: 1.7895732754123639
Energy: 1.7837265118398589
Energy: 1.964866132256037
Energy: 1.6491959263336873
Energy: 1.7835535914361849
Energy: 1.7217517185909852
Energy: 1.9665325701018848
Energy: 1.92230347648356
Energy: 1.8340611958581479
Energy: 1.7756700809225734
Energy: 1.6611653281099945
Energy: 1.6435054502671966
Energy: 1.8929683407434348
Energy: 1.9688012554881749
Energy: 1.637071552043794
Energy: 1.8878029964954206
Energy: 1.8500192207120378
Energy: 1.974730056125815
Energy: 1.809044846316345
Energy: 1.7582388564100808
Energy: 1.7317506351524525
Energy: 1.8378322724802756
Energy: 1.9092172441173612
Energy: 1.6865212749632545
Energy: 1.873685543111541
Energy: 1.6739112953516262
Energy: 1.917605967464811
Energy: 1.9064285693350889
Energy: 1.6773664285909546
Energy: 1.7303273446931506
Energy: 1.8413616823527645
Energy: 1.813428499362498
Energy: 1.8531036482354053
Energy: 1.8231644489801553
Energy: 1.8947415663831761
Energy: 1.9174662866600136
Energy: 1.7488674238435442
Energy: 1.6613906449225142
Energy: 1.7823469979438147
Energy: 1.774136429243066
Energy: 2.0299016604655473
Energy: 1.844574884050346
Energy: 1.6543968872537544
Energy: 1.9572846560942012
Energy: 1.77110278984819
Energy: 1.7138300175530017
Energy: 1.8669234675783268
Energy: 1.912012272368313
Energy: 1.882464325569714
Energy: 1.7656735761966553
Energy: 1.723596614652136

minimum gb energy = 1.604194419115121 eV
minimum distance =  2.22413983575203 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.7045941408152925
Energy: 1.6407049653623063
Energy: 1.8770187238963074
Energy: 1.9649671551429913
Energy: 2.047469775880289
Energy: 1.688766483758414
Energy: 1.7239023197404062
Energy: 1.666383386055481
Energy: 1.647147869084476
Energy: 1.7132148904978064
Energy: 2.0209599853916864
Energy: 1.6476692827807076
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Energy: 2.0088967838387233
Energy: 1.9225605626136832
Energy: 1.7341996347353985
Energy: 1.7587861207232875
Energy: 1.7941268595974043
Energy: 1.7852806195445037
Energy: 1.7292834278332578
Energy: 1.8294486589798193
Energy: 1.9238668990447185
Energy: 1.9117339540280704
Energy: 1.6377237613768645
Energy: 1.7599698167356264
Energy: 1.7363701636978937
Energy: 1.7990379679636177
Energy: 1.9647905801409808
Energy: 1.7568593273926398
Energy: 1.8187802121686556
Energy: 1.828728922757083
Energy: 1.7139750823107576
Energy: 1.7094364435993248
Energy: 1.6977806001163163
Energy: 1.655000427548268
Energy: 2.0072272494110357
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Energy: 1.9308477012991787
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Energy: 1.6667215108295372
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Energy: 1.9526400109539874
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Energy: 1.720463521020982
Energy: 1.676686232750771
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Energy: 1.8158038279195903
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Energy: 1.6662578524836753
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Energy: 1.6768700065460607
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Energy: 1.762322681869816
Energy: 1.6945351705066038
Energy: 1.6389332127517453
Energy: 1.8343562218378993
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Energy: 1.9186062816843201
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Energy: 1.7411431060904348
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Energy: 1.6687517620938825
Energy: 1.9332297577927096
Energy: 1.9754773487272395
Energy: 1.8558927832045775
Energy: 1.7205726181359384
Energy: 1.6598753075040538
Energy: 1.666805772163022
Energy: 1.6579835688576154
Energy: 1.8769494392268997
Energy: 1.7290401984436359
Energy: 1.7692112419914832
Energy: 1.8466670572151023
Energy: 1.6772527969835351
Energy: 1.695712309446161
Energy: 1.7305176016471189
Energy: 1.7266711580842562
Energy: 1.7065951761366789
Energy: 1.9404119970615075
Energy: 1.75869741755066
Energy: 1.7403349462514461
Energy: 1.8457570726798844
Energy: 1.9851421691702429
Energy: 1.7962767000367414
Energy: 1.807979218635439
Energy: 1.804485461819679
Energy: 1.8878192293432996
Energy: 1.8435103196303597
Energy: 1.916520626609265
Energy: 1.8082638528351067
Energy: 1.7039831573855106
Energy: 1.7191811971058235
Energy: 1.796917191036926
Energy: 1.746874293994587
Energy: 1.907972504046251
Energy: 1.8826818256128628
Energy: 1.6599146585607951
Energy: 1.7386936142496177
Energy: 1.67912311321415
Energy: 1.6902268017132724
Energy: 1.9709557584706345
Energy: 1.8456847345329561
Energy: 1.8098924500888165
Energy: 1.6716075868556386
Energy: 1.8338815739647745
Energy: 1.802237964106646
Energy: 1.6821280476268983
Energy: 1.6381261835068406
Energy: 1.8141202769513556
Energy: 1.9528683612743445
Energy: 1.8113873249523653
Energy: 1.8004369610697195
Energy: 1.854274534894798
Energy: 1.896871758454518
Energy: 1.894517937859624
Energy: 1.9796667016590976
Energy: 1.7046003409758168
Energy: 1.822822451662955
Energy: 1.7072632221189399
Energy: 1.8519780977925986
Energy: 1.7910056597902908
Energy: 1.8440442301305
Energy: 1.7127319757588182
Energy: 1.6947262265285348
Energy: 1.7366564233823698
Energy: 1.8303319370249023
Energy: 2.10672060885466
Energy: 1.8761279903420838
Energy: 1.6792933201946487
Energy: 1.736773612014259
Energy: 1.6673842248263029
Energy: 1.6531546484410524
Energy: 1.9360953767304
Energy: 1.7244931885393442
Energy: 1.71688334615573
Energy: 1.7314662057496748
Energy: 1.670257908770719
Energy: 1.672117665102137
Energy: 1.6633123497918292
Energy: 1.8742201713329563
Energy: 1.648519172453057
Energy: 1.9913731641046704
Energy: 1.849920790991619
Energy: 1.6721417893060173
Energy: 1.6891548535693992
Energy: 1.6390824615079267
Energy: 1.7223187641044602
Energy: 1.6315951062129692
Energy: 1.9902189382226831
Energy: 1.7367995678307317
Energy: 1.735942770860555
Energy: 1.8399479963551753
Energy: 1.9581730167291334
Energy: 1.790926718978768
Energy: 1.8864703361781432
Energy: 1.7714123184200279
Energy: 1.8742904488598764
Energy: 1.7509994150959038
Energy: 1.7297861869061038
Energy: 1.6512320484057383
Energy: 1.6969861306035727
Energy: 1.6812838668816015
Energy: 1.7280606909492529
Energy: 1.6623854406944438
Energy: 1.9352852733372767
Energy: 1.8848286427924343
Energy: 1.7149024095552448
Energy: 1.728608883737199
Energy: 1.7233241118160554
Energy: 1.7830281282151048
Energy: 1.9564564280841634
Energy: 1.979814984083541
Energy: 1.754056764906647
Energy: 1.7443634048766734
Energy: 1.6904383546240025
Energy: 1.8482686810018454
Energy: 1.671508885427695
Energy: 1.6455363431302994
Energy: 1.9594553594738888
Energy: 1.9476266861645706
Energy: 1.7820680146254875
Energy: 1.8536793823266888
Energy: 1.823810585009341
Energy: 1.7233343975217785
Energy: 1.8978155413964628
Energy: 1.9514377875745879
Energy: 1.7049466353785137
Energy: 1.7964800360577595
Energy: 1.6995518908793579
Energy: 1.6842262993595714
Energy: 1.7928312752912272
Energy: 1.8329693063372599
Energy: 1.7095654300622223
Energy: 1.663016150879145
Energy: 1.7841678197248487
Energy: 1.9283832562846457
Energy: 1.7862522116964994
Energy: 1.894940691912651
Energy: 1.9461016580731847
Energy: 1.8156650797743086
Energy: 1.665104325256451
Energy: 1.6891343685195521
Energy: 1.9190181386665275
Energy: 1.8208193180408097
Energy: 1.6531989376860248
Energy: 1.7647466280735842
Energy: 1.7066586373831438

minimum gb energy = 1.6315951062129692 eV
minimum distance =  2.22529698587401 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.805205365944825
Energy: 1.7464819950643722
Energy: 1.7927494520340446
Energy: 1.6719114541985158
Energy: 1.8163098436753604
Energy: 1.7985171917223644
Energy: 1.8063030383469172
Energy: 1.7370400542142184
Energy: 1.8283725516083624
Energy: 1.7054852348994431
Energy: 1.7700117593810123
Energy: 1.743659062580793
Energy: 1.7456323008699843
Energy: 1.859543106733823
Energy: 1.8117359168326475
Energy: 1.676524804428406
Energy: 1.6915954673134193
Energy: 1.752493093069433
Energy: 1.8086504335909699
Energy: 1.7223084218080376
Energy: 1.8059289828544303
Energy: 1.6506114789982982
Energy: 1.8702781535666069
Energy: 1.709799013552801
Energy: 1.746141553771466
Energy: 1.7465072993282598
Energy: 1.6514769772155613
Energy: 1.9238999157746728
Energy: 1.8047910239190155
Energy: 1.8652277148955714
Energy: 1.78754718362844
Energy: 1.8086534101127525
Energy: 1.8129407681562992
Energy: 1.8531420772756793
Energy: 1.7600937163665744
Energy: 1.675737487697277
Energy: 1.7621904480631565
Energy: 1.7334398977069374
Energy: 1.749180277584308
Energy: 1.729692490212165
Energy: 1.8296285561356904
Energy: 1.771592810864649
Energy: 1.8168120344038707
Energy: 1.7591470167644256
Energy: 1.818500369647531
Energy: 1.7629526890320528
Energy: 1.83729384002164
Energy: 1.8103217951429256
Energy: 1.7154506021693359
Energy: 1.8008051339282762
Energy: 1.8661236567591541
Energy: 1.755234579500065
Energy: 1.766275373817966
Energy: 1.867470845685416
Energy: 1.728968850785551
Energy: 1.6908950607668811
Energy: 1.8000269943423848
Energy: 1.77615885000459
Energy: 1.7756800737505363
Energy: 1.6806498398451728
Energy: 1.723245382503682
Energy: 1.7712493669292053
Energy: 1.6391228267564653
Energy: 1.6503061451847318
Energy: 1.7778793886939448
Energy: 1.6488833186911767
Energy: 1.7784339387785928
Energy: 1.8355833349700488
Energy: 1.7333075432026468
Energy: 1.7856270514045771
Energy: 1.888637031950427
Energy: 1.8753265452188228
Energy: 1.8242222310399727
Energy: 1.8668260771799032
Energy: 1.7806555709444005
Energy: 1.8237904931760378
Energy: 1.8057879504478604
Energy: 1.6733059060809428
Energy: 1.8318137996270987
Energy: 1.7299086168037399
Energy: 1.7007428000242881
Energy: 1.7082323773888644
Energy: 1.7755576212296076
Energy: 1.696605109385643
Energy: 1.817435973459857
Energy: 1.8620103439715983
Energy: 1.824157539184232
Energy: 1.7612361995984052
Energy: 1.8266247533269275
Energy: 1.8003920419510087
Energy: 1.7008744147967654
Energy: 1.729346198940688
Energy: 1.8083197556181876
Energy: 1.8321425419725492
Energy: 1.785411261088379
Energy: 1.847884155778801
Energy: 1.757530876777089
Energy: 1.816508002578375
Energy: 1.7483082270214199
Energy: 1.6767412962901447
Energy: 1.8041328284600522
Energy: 1.7972908266417302
Energy: 1.8573770774041558
Energy: 1.703881807642587
Energy: 1.7306657689655625
Energy: 1.6851824461470721
Energy: 1.8949344971084994
Energy: 1.6363964494450338
Energy: 1.701864506464812
Energy: 1.725580472381682
Energy: 1.7120119538432137
Energy: 1.801558711562058
Energy: 1.8614916990762684
Energy: 1.91348801723036
Energy: 1.8831222993950039
Energy: 1.852253251753762
Energy: 1.7973179171728977
Energy: 1.9030676649112863
Energy: 1.772619351128232
Energy: 1.6912620177714615
Energy: 1.8167562798076644
Energy: 1.789592795544926
Energy: 1.7423059549742475
Energy: 1.729888791984431
Energy: 1.7100814811649132
Energy: 1.7700981234512845
Energy: 1.8243057326287448
Energy: 1.7701236653464736
Energy: 1.8151814266636206
Energy: 1.8074098280603388
Energy: 1.9101518716038073
Energy: 1.8061717310842231
Energy: 1.7844130771111426
Energy: 1.7620635830323088
Energy: 1.833158203135019
Energy: 1.7847733460469961
Energy: 1.8430670218633352
Energy: 1.9333720554244782
Energy: 1.7817220635549367
Energy: 1.842072031265991
Energy: 1.7593645060263037
Energy: 1.7152952063341596
Energy: 1.8087105462891055
Energy: 1.88687978010103
Energy: 1.8572952137465077
Energy: 1.800254467080499
Energy: 1.7324321594871928
Energy: 1.6513896828900645
Energy: 1.7894452147324496
Energy: 1.820785823837319
Energy: 1.7482792030236014
Energy: 1.749515014808091
Energy: 1.7358479027400067
Energy: 1.772772899555626
Energy: 1.9062137021089018
Energy: 1.8388309744455944
Energy: 1.8992574564524576
Energy: 1.8674917869742524
Energy: 1.8052053669277766
Energy: 1.8923479289757972
Energy: 1.8161405784482838
Energy: 1.7167491411153142
Energy: 1.847279840644849
Energy: 1.8492366214308087
Energy: 1.6984657512007684
Energy: 1.7052291691490822
Energy: 1.7236238858134505
Energy: 1.7898740650750273
Energy: 1.8167510271796536
Energy: 1.8014264486859402
Energy: 1.8880604462269561
Energy: 1.9342239763542752
Energy: 1.9058413826820286
Energy: 1.7888808786589876
Energy: 1.7562780635987985
Energy: 1.7550625204797965
Energy: 1.873744074951449
Energy: 1.8377441847533549
Energy: 1.8169835339373999
Energy: 1.8676238431291339
Energy: 1.7747127087577481
Energy: 1.8100569824590136
Energy: 1.7824651309117738
Energy: 1.758622284273205
Energy: 1.8084482691038986
Energy: 1.6830450589712773
Energy: 1.913375395747242
Energy: 1.7940835781091236
Energy: 1.7736815381706093
Energy: 1.7176535906941197
Energy: 1.8132645254677213
Energy: 1.7231983901768537
Energy: 1.672987468951283
Energy: 1.7901021996135373
Energy: 1.7258713602140732
Energy: 1.7280754523240789
Energy: 1.8657437095154776
Energy: 1.8712062840685024
Energy: 1.8196568201696446
Energy: 1.8907027944163122
Energy: 1.7744289672583577
Energy: 1.86471114787105
Energy: 1.7634672504617264
Energy: 1.7137828285465717
Energy: 1.8252950029578725
Energy: 1.7482685722258684
Energy: 1.7681338338481565
Energy: 1.8901906945499922
Energy: 1.8009304244123412
Energy: 1.7539022254927232
Energy: 1.8140749683727735
Energy: 1.729694065420254
Energy: 1.7866324881148392
Energy: 1.731712029274289
Energy: 1.8716996108832349
Energy: 1.7760206197234651
Energy: 1.7238755758591702
Energy: 1.7678792194511808
Energy: 1.801934790686061
Energy: 1.8410772512484421
Energy: 1.7668123807540732
Energy: 1.9426527160237788
Energy: 1.8250107890888088
Energy: 1.7999552442427904
Energy: 1.7977011046857652
Energy: 1.7535832675623886
Energy: 1.7714780407011426
Energy: 1.7288262304971123
Energy: 1.8865272070006471
Energy: 1.7987582027214135
Energy: 1.815804840107075
Energy: 1.777236256560108
Energy: 1.7942874094936434
Energy: 1.744302621529869
Energy: 1.7082384755010045
Energy: 1.7892093167403038
Energy: 1.7304686257049262
Energy: 1.8265910552734073
Energy: 1.8651940217701375
Energy: 1.8929731512971444
Energy: 1.7871511854413464
Energy: 1.8557739748353252
Energy: 1.7388933885449813
Energy: 1.8510677624878664
Energy: 1.823218639315509
Energy: 1.7717711700798198
Energy: 1.8860193836675614
Energy: 1.7792046792513352
Energy: 1.7249817508071073
Energy: 1.7653318629282355
Energy: 1.752804434076554
Energy: 1.8916349072357224

minimum gb energy = 1.6363964494450338 eV
minimum distance =  2.21868928745282 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.6153820504184564
Energy: 1.630991175917658
Energy: 2.0150233305489014
Energy: 1.920184402200849
Energy: 1.8323085761861524
Energy: 1.7279672318803077
Energy: 1.558039120028556
Energy: 1.561835260084726
Energy: 1.7348956460724472
Energy: 1.7156903662743652
Energy: 1.609816231527004
Energy: 1.6000373577349514
Energy: 1.6521083097809557
Energy: 1.6780804808783127
Energy: 1.6500169395095015
Energy: 1.6375652692671057
Energy: 1.7320186938341877
Energy: 1.6065842998196858
Energy: 1.5987549913559156
Energy: 1.6666361877623568
Energy: 1.7681313067572542
Energy: 1.6268242241849697
Energy: 1.6186149653591435
Energy: 1.7048608481294463
Energy: 1.7238646649042306
Energy: 1.6270488332917064
Energy: 1.7183942303843163
Energy: 1.7751675585620588
Energy: 1.66813794450874
Energy: 1.5988558627060976
Energy: 1.6903941707134955
Energy: 1.7118221588528444
Energy: 1.6274634401754908
Energy: 1.951513563395473
Energy: 1.6673127905621172
Energy: 1.559894433040324
Energy: 1.5979309625216926
Energy: 1.7108114128905294
Energy: 1.8787746471567586
Energy: 1.7624253362213105
Energy: 1.6777538878950933
Energy: 1.66732716498474
Energy: 1.9589594769729124
Energy: 1.7788084135003281
Energy: 1.676765787089278
Energy: 1.859873374817768
Energy: 1.559900857200089
Energy: 1.5609401827796565
Energy: 1.6533639772881727
Energy: 1.55750593071474
Energy: 1.7375614572051143
Energy: 1.9843515206747386
Energy: 1.747195509278662
Energy: 1.7857545799256105
Energy: 1.7375232770014162
Energy: 1.6668669684341602
Energy: 1.5601247779669256
Energy: 1.7380736817433895
Energy: 1.9253140215990265
Energy: 1.6197448075651648
Energy: 1.5985342726466647
Energy: 1.9184977220850803
Energy: 1.6672481491486248
Energy: 1.9596420376313575
Energy: 1.7194368298526292
Energy: 1.7180634805017696
Energy: 1.6086816250495282
Energy: 1.6013504767957327
Energy: 1.6515534620439034
Energy: 1.666770299165827
Energy: 1.6244179869180482
Energy: 1.617420400767323
Energy: 1.6999306472433346
Energy: 1.6190387254145813
Energy: 1.5988892661697862
Energy: 1.6880053895556846
Energy: 1.7788680527640663
Energy: 1.6664143439402075
Energy: 1.59809866647703
Energy: 1.683376650368369
Energy: 1.6489251223231844
Energy: 1.6280791696553114
Energy: 1.6950373010405742
Energy: 1.6798222508006444
Energy: 1.5583819290348047
Energy: 1.6001178318094427
Energy: 1.732668201561323
Energy: 1.7687033440553372
Energy: 1.7436969880932873
Energy: 1.7368486130223753
Energy: 1.6664937618341145
Energy: 1.740726998510149
Energy: 1.6182726521655577
Energy: 1.7119903408515644
Energy: 1.8625553706794562
Energy: 1.560626999744825
Energy: 1.5589691610997434
Energy: 1.691683259002136
Energy: 1.557707860883958
Energy: 1.7300293011710306
Energy: 1.6773067828849095
Energy: 1.8625586766492066
Energy: 1.5613771514590715
Energy: 1.558729991727836
Energy: 1.6778193684967224
Energy: 1.5572612930660246
Energy: 1.8480412856266029
Energy: 1.9459738713956707
Energy: 1.6933858195557345
Energy: 1.8293741074309517
Energy: 1.7308612893787956
Energy: 1.557951350593472
Energy: 1.649237577650603
Energy: 1.7347751586855362
Energy: 1.7191596340256021
Energy: 1.6305588585659967
Energy: 1.5999035868545284
Energy: 1.6518189858369885
Energy: 1.6797722873089822
Energy: 1.6496299627333668
Energy: 1.637160920074045
Energy: 1.6881572716822544
Energy: 1.6069158371740213
Energy: 1.598453913017564
Energy: 1.6665474706539052
Energy: 1.7680042107906622
Energy: 1.6261424694828304
Energy: 1.6394474871872011
Energy: 1.7051451891263598
Energy: 1.7232026702475605
Energy: 1.626993644297497
Energy: 1.7185051539120182
Energy: 1.7755422745929799
Energy: 1.6684442956350334
Energy: 1.59872081808804
Energy: 1.6906269021228013
Energy: 1.712425339203466
Energy: 1.6270959588785396
Energy: 1.9510653780108462
Energy: 1.6672728011037523
Energy: 1.5590086275789423
Energy: 1.5976648665012474
Energy: 1.7108515508505107
Energy: 1.8788641808529292
Energy: 1.7618007354384908
Energy: 1.5589061636006278
Energy: 1.6668020318601522
Energy: 1.9580128869890763
Energy: 1.7507482289982523
Energy: 1.6761681471109051
Energy: 1.8446520875006136
Energy: 1.5596155978360384
Energy: 1.5614138485989344
Energy: 1.6920107066680015
Energy: 1.5619549653194762
Energy: 1.7351460228290885
Energy: 1.985887754393058
Energy: 1.7486483498429957
Energy: 1.7870523248754564
Energy: 1.7374724760341886
Energy: 1.6681880502333801
Energy: 1.5594872774876234
Energy: 1.7394969948307002
Energy: 1.9254269842535536
Energy: 1.6193941507678216
Energy: 1.5979365697464105
Energy: 1.7177544712732535
Energy: 1.6672659914597265
Energy: 1.9575274990437739
Energy: 1.7196779377427152
Energy: 1.717826964128778
Energy: 1.6098280204611173
Energy: 1.5987054407014647
Energy: 1.6508574407075398
Energy: 1.6665340305369492
Energy: 1.6241445011456879
Energy: 1.6176340795307849
Energy: 1.70001520719679
Energy: 1.6197355266228053
Energy: 1.5993568843673827
Energy: 1.7162198448486485
Energy: 1.7778679946817824
Energy: 1.6678063077290413
Energy: 1.59855374625803
Energy: 1.6822845964406608
Energy: 1.648825116813313
Energy: 1.6283365669331895
Energy: 1.6939750537157263
Energy: 1.6795451395549295
Energy: 1.5587018608023588
Energy: 1.5998143150422097
Energy: 1.7329758738297307
Energy: 1.768543709069254
Energy: 1.7436816983738173
Energy: 1.7287697769386883
Energy: 1.6681730325760433
Energy: 1.7409554375528002
Energy: 1.6182920597458574
Energy: 1.7122985053534567
Energy: 1.8627358044916285
Energy: 1.5604440564944682
Energy: 1.558931241420185
Energy: 1.6906770951257848
Energy: 1.5591538994076843
Energy: 1.7321828665948904
Energy: 1.6767460773500804
Energy: 1.8795983271652354
Energy: 1.5613537931670411
Energy: 1.5585577125718157
Energy: 1.67782276270729

minimum gb energy = 1.5572612930660246 eV
minimum distance =  2.22996107562523 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 2.0091158781582474
Energy: 1.7676498919911179
Energy: 1.6479516916535935
Energy: 1.853931271517448
Energy: 1.787984742363208
Energy: 1.6887708336535991
Energy: 1.6578054722166693
Energy: 1.6544362331925984
Energy: 1.8292685230227446
Energy: 1.8712820136822876
Energy: 1.8634551301251745
Energy: 1.9394415036677342
Energy: 1.8330955361083705
Energy: 1.8318042962532695
Energy: 1.8907494737841757
Energy: 1.7274789413600544
Energy: 1.6455371485055055
Energy: 1.9306593215234493
Energy: 1.571591633299303
Energy: 1.5721475343029483
Energy: 1.8503668438931091
Energy: 1.790742521364808
Energy: 1.840920902774505
Energy: 1.7221168638395525
Energy: 1.8034559506702894
Energy: 1.6940569856189718
Energy: 1.6337533662936277
Energy: 1.8496173099813815
Energy: 1.5721876360086495
Energy: 1.720431379432115
Energy: 1.664104013271021
Energy: 1.5818227773774953
Energy: 1.6359975422293456
Energy: 1.6288864396113074
Energy: 1.5903261836718605
Energy: 1.556296355929805
Energy: 1.6314457139122995
Energy: 1.6236381188454356
Energy: 1.713421335953864
Energy: 1.5977982570859424
Energy: 1.5822040102551571
Energy: 1.643616618526347
Energy: 1.9803217646066393
Energy: 1.6750359144185527
Energy: 1.6354507939606144
Energy: 1.7353266664407958
Energy: 1.5891458111859074
Energy: 1.5574364853278841
Energy: 1.656472796618687
Energy: 1.634631942811507
Energy: 1.6069115799090896
Energy: 1.645976635296927
Energy: 1.7760936284767062
Energy: 1.5718394611903843
Energy: 1.572986056968291
Energy: 1.7040214171641666
Energy: 1.6267666540300467
Energy: 1.7670002786004084
Energy: 1.8536447027160434
Energy: 1.6609139063717424
Energy: 1.986568704381361
Energy: 2.0870490844261487
Energy: 2.0324289923444003
Energy: 1.5716069927290512
Energy: 1.8696099055271342
Energy: 1.6494157583794244
Energy: 1.8549330592734499
Energy: 1.666469728807455
Energy: 1.8904572758354525
Energy: 1.7907769293578502
Energy: 1.7873862272609182
Energy: 1.7777705381257596
Energy: 1.6439924260532155
Energy: 1.6630185432171987
Energy: 1.5585322722960508
Energy: 1.5567058340470794
Energy: 1.8326664232741556
Energy: 1.8626004363572717
Energy: 1.721949853844011
Energy: 1.8542715023879646
Energy: 2.2047347651301483
Energy: 1.55729449361632
Energy: 1.556919647871634
Energy: 1.922446610703341
Energy: 1.5569480315289752
Energy: 1.724314941617212
Energy: 2.0319840053278337
Energy: 1.8202611014158443
Energy: 1.7340423588095106
Energy: 1.632557623125232
Energy: 1.6563581780457732
Energy: 1.556908761075606
Energy: 1.8413237985928712
Energy: 1.6454454158766094
Energy: 1.683272713311064
Energy: 1.797951071979052
Energy: 1.7027534544471885
Energy: 1.8324727202381237
Energy: 1.889445803178866
Energy: 1.637405917168702
Energy: 1.6475712092621135
Energy: 1.960205013431939
Energy: 1.8328027146076764
Energy: 1.8006800378636074
Energy: 1.7916164410745827
Energy: 1.8016106534852319
Energy: 1.7266720431421478
Energy: 1.6937287335219056
Energy: 1.6700078863383039
Energy: 1.694173359647192
Energy: 1.8407048940917154
Energy: 2.062367198559846
Energy: 1.5721705644385364
Energy: 1.7210155223923043
Energy: 1.625152381979126
Energy: 1.632111779480519
Energy: 1.6685440946094567
Energy: 1.6281394734735861
Energy: 1.592097057106703
Energy: 1.5568135814791308
Energy: 1.6318789629122532
Energy: 1.6546668195813883
Energy: 1.9205085920122233
Energy: 1.9803767982177114
Energy: 2.131851370753422
Energy: 1.8957234161495946
Energy: 1.5553850861428848
Energy: 1.591140655021391
Energy: 1.623611157778873
Energy: 1.66665633886701
Energy: 1.58807513990314
Energy: 1.5581006195470417
Energy: 1.6565657793186943
Energy: 1.627731262801199
Energy: 1.606600947424736
Energy: 1.7021446924985768
Energy: 1.659719210558587
Energy: 1.7202383355281292
Energy: 1.5722199980792546
Energy: 1.5913169154605846
Energy: 1.6345442855407943
Energy: 1.632599613194491
Energy: 1.8298792810590494
Energy: 1.9501477932906988
Energy: 1.9387276913517328
Energy: 2.0505066214115204
Energy: 2.029278849533012
Energy: 1.5716410613946092
Energy: 1.8045427796126967
Energy: 1.647126315333764
Energy: 1.6880397663509483
Energy: 1.6120444859191103
Energy: 1.784084762388229
Energy: 1.5695239693810394
Energy: 1.8333176189734917
Energy: 1.6651119041769558
Energy: 1.9547274442593732
Energy: 1.8852981927449601
Energy: 1.6920439660442252
Energy: 1.6526914081741177
Energy: 1.8335543523342586
Energy: 1.6537392515316884
Energy: 1.6375871237434845
Energy: 1.7687024379767882
Energy: 2.14869137397087
Energy: 1.5564697142740922
Energy: 1.5561545479097907
Energy: 1.8093360824539657
Energy: 1.5567727224742451
Energy: 1.756888537685431
Energy: 1.9021595223561618
Energy: 1.6813673984539976
Energy: 1.6922699069938558
Energy: 1.9821226103662333
Energy: 1.8329883304123038

minimum gb energy = 1.5553850861428848 eV
minimum distance =  2.22570705176297 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.8684508759616931
Energy: 2.055683774912799
Energy: 2.0652590654018903
Energy: 2.0469438019853574
Energy: 1.9917220664072297
Energy: 2.012718234136276
Energy: 2.0523340272985537
Energy: 2.0624242817430725
Energy: 2.0974611309012827
Energy: 2.027278116451112
Energy: 2.1290344192822164
Energy: 2.0801926075125885
Energy: 2.033491090707964
Energy: 2.09909745783821
Energy: 2.066012838709169
Energy: 1.9725172070771826
Energy: 1.9616734666326912
Energy: 2.0248620229413983
Energy: 2.008455254892528
Energy: 1.9752399631353108
Energy: 2.10818995781395
Energy: 1.9045954492129118
Energy: 2.162786380419645
Energy: 1.9260445126701173
Energy: 2.0179095050617577
Energy: 2.0036742920716013
Energy: 1.9165672803096536
Energy: 2.075714531159107
Energy: 1.865037171424172
Energy: 2.0539155584549866
Energy: 1.8476080550245788
Energy: 1.9921154135094634
Energy: 1.9160980473286644
Energy: 1.848781605147771
Energy: 1.9456189280535165
Energy: 1.7400477760971584
Energy: 1.9164514386596754
Energy: 1.9912661048976628
Energy: 1.8422709622309859
Energy: 1.8167072826225987
Energy: 1.7972650510593529
Energy: 1.9360107834344749
Energy: 1.960308994993042
Energy: 2.128271541377235
Energy: 1.8358021269164206
Energy: 1.877221618892335
Energy: 1.8761740777129938
Energy: 1.832874637054127
Energy: 2.0565055866706805
Energy: 2.043157711344245
Energy: 1.708209159523187
Energy: 2.000941351870037
Energy: 2.0338576838549134
Energy: 1.9417701079344583
Energy: 1.8649239477532784
Energy: 1.8143686141809447
Energy: 1.6316269983046272
Energy: 1.9191718596692775
Energy: 1.9196513052133237
Energy: 1.858667239514643
Energy: 1.9776752245340843
Energy: 1.9967154058748897
Energy: 1.930645870947375
Energy: 1.8754384163090556
Energy: 1.8295940003888518
Energy: 1.8517758207575168
Energy: 1.8742228893605617
Energy: 1.9086448265661142
Energy: 1.9778853898196056
Energy: 1.8682459280367583
Energy: 1.8807587206620804
Energy: 1.8093871266177606
Energy: 1.8779851517231656
Energy: 1.7168048364337178
Energy: 1.8912914492680293
Energy: 1.8663372063300538
Energy: 1.8194093805145175
Energy: 1.7111698907201864
Energy: 2.028143668428812
Energy: 1.9953019488046195
Energy: 2.0023213550630747
Energy: 1.8479835940028255
Energy: 1.922368336251388
Energy: 2.0141944626417234
Energy: 1.9276125780715518
Energy: 1.7025563327353712
Energy: 1.8972700231560629
Energy: 1.9343030468090474
Energy: 2.0005210650560277
Energy: 1.8091959914119802
Energy: 1.7486970033292937
Energy: 1.911349261491126
Energy: 1.8279384936594563
Energy: 2.0346752271497475
Energy: 1.7058347671593277
Energy: 1.7660356456304427
Energy: 1.8490482367786136
Energy: 1.9643395794397984
Energy: 1.7445177973764825
Energy: 1.9458817930565102
Energy: 1.8565322424711534
Energy: 1.8470626458504256
Energy: 1.720188342623154
Energy: 1.902940836620052
Energy: 1.847906385186109
Energy: 1.8533761221079168
Energy: 1.8683742737219973
Energy: 1.8473481187589629
Energy: 1.9935132253230443
Energy: 1.9049511919442264
Energy: 1.901719171094116
Energy: 1.9153590640112632
Energy: 1.868821950940316
Energy: 2.02436371823595
Energy: 1.9165001545468572
Energy: 2.0294672771823015
Energy: 1.910459753814769
Energy: 1.9118495604878374
Energy: 2.012443288612325
Energy: 1.8266838400090861
Energy: 1.932195809577094
Energy: 1.9232783789219925
Energy: 1.9272422666813311
Energy: 1.915009659309047
Energy: 1.9445672859909788
Energy: 1.9219012995730655
Energy: 1.9853012827573864
Energy: 2.1041294133931303
Energy: 1.9575304136941103
Energy: 2.100109388084647
Energy: 1.9661821474637449
Energy: 2.0317418226078563
Energy: 2.001564144074859
Energy: 1.9023680076100593
Energy: 2.0588211399506267
Energy: 1.9361571533049964
Energy: 2.055324575000513
Energy: 2.0053001496887273
Energy: 1.9148306212212087
Energy: 2.095395725590527
Energy: 2.0667074540407055
Energy: 2.0191832005130923
Energy: 1.9527605187907047
Energy: 2.14726773130888
Energy: 1.9736862460677604
Energy: 1.886057181053919
Energy: 2.120740684870423
Energy: 2.0015368559420583
Energy: 2.0113354828322323
Energy: 1.970425255465132
Energy: 2.184755260164474
Energy: 1.9742737936495693
Energy: 1.8805531703126115
Energy: 2.094630417251268
Energy: 1.8603122917590136
Energy: 2.00009288267603
Energy: 2.068685786810707
Energy: 2.0460216991508253
Energy: 1.9929203730009781
Energy: 1.9122115031676201
Energy: 2.0219026475079667
Energy: 2.0597923120206003
Energy: 2.0985769751772825
Energy: 2.014568877554985
Energy: 2.055088223166268
Energy: 1.9749236614595298
Energy: 2.038155956890828
Energy: 2.1417425083364683
Energy: 1.8269760116034022
Energy: 1.9740338590121034
Energy: 1.958587336613735
Energy: 2.023582905243157
Energy: 1.9131015098728708
Energy: 1.985481475361818
Energy: 2.1213523224583306
Energy: 1.9016687576802753
Energy: 2.148715720768831
Energy: 1.9296972323528674
Energy: 2.0172333514080165
Energy: 2.0067852841294034
Energy: 1.9189003794041835
Energy: 2.0724335117782924
Energy: 1.9459465162170013
Energy: 2.0172574455764907
Energy: 1.928247623546859
Energy: 1.9592748043708765
Energy: 1.9245038093704465
Energy: 1.9295606963247962
Energy: 1.943366962529237
Energy: 1.7395229250216817
Energy: 1.9184720091696752
Energy: 1.956008356309881
Energy: 1.9057526563506402
Energy: 1.774459321061739
Energy: 1.7995871648071629
Energy: 1.9361196704532886
Energy: 1.9488299899512833
Energy: 1.9485124265719589
Energy: 1.8360830174530895
Energy: 1.9867694040626653
Energy: 1.8740099193108466
Energy: 1.8319986817750977
Energy: 2.051091933524046
Energy: 1.8390332367706046
Energy: 1.7074751226440743
Energy: 1.792261146916362
Energy: 2.029903916558359
Energy: 1.9701508666085732
Energy: 1.7586137351844955
Energy: 1.8143875103684126
Energy: 1.683496548187731
Energy: 1.8210995449813385
Energy: 1.9200630638899296
Energy: 1.9795842708395763
Energy: 1.9757450535389505
Energy: 1.9993264290087436
Energy: 1.9335977510166473
Energy: 1.856732415622079
Energy: 1.972041392174134
Energy: 1.834262134184185
Energy: 1.8767843578500616
Energy: 1.9128872722956398
Energy: 1.9148247781846708
Energy: 1.870037671128967
Energy: 1.8788475536604636
Energy: 1.8077914246811742
Energy: 1.7757315360537227
Energy: 1.8954191231616901
Energy: 1.8398676653800146
Energy: 1.7366916111641306
Energy: 1.8502894919398059
Energy: 1.7098607748647614
Energy: 2.0410474574123234
Energy: 1.9802202755302796
Energy: 2.004743736684029
Energy: 1.9107025311011492
Energy: 1.9225722542294084
Energy: 1.9542680202185108
Energy: 1.929579895507165
Energy: 1.700858419054075
Energy: 1.9014724886681782
Energy: 1.938005762906088
Energy: 2.007597140685389
Energy: 1.8676090544978377
Energy: 1.7871518761951146
Energy: 1.9185413378334906
Energy: 1.826686011155006
Energy: 1.9697517095651855
Energy: 1.8635676713339422
Energy: 1.8098786310390118
Energy: 1.8345876606047153
Energy: 1.9465335023441082
Energy: 1.6691504978089038
Energy: 1.9477166529420158
Energy: 1.8773184227238116
Energy: 1.8423792643079933
Energy: 1.735457936037084
Energy: 1.8813466675241044
Energy: 1.8551273696207784
Energy: 1.8829380426873439
Energy: 1.8385090774443416
Energy: 1.7697766397186396
Energy: 1.8878245732847918
Energy: 1.861556384856195
Energy: 1.8557647219715492
Energy: 1.9183438912261084
Energy: 1.8704845415057771
Energy: 2.096446141172468
Energy: 1.9127146685176692
Energy: 2.0320339959952785
Energy: 1.911313336365803
Energy: 1.833218033742944
Energy: 1.9700255369287132
Energy: 1.8280289497853115
Energy: 1.8861906370377932
Energy: 1.9447954897480364
Energy: 1.9294340162539925
Energy: 2.0083832325935767
Energy: 1.9374269736222545
Energy: 1.923285597188226
Energy: 1.985335561058117
Energy: 2.103699131988647
Energy: 1.857363245765932
Energy: 2.145769009758981
Energy: 2.0847130511973306
Energy: 2.077102504114674
Energy: 2.0118170576256538
Energy: 1.9121611459658772
Energy: 2.0559445842725452
Energy: 1.9356725123025291
Energy: 2.0524424377230677
Energy: 2.004533726792334
Energy: 2.0133868649057387
Energy: 2.0956768291761683
Energy: 2.0686740340257987
Energy: 2.040622917197313
Energy: 1.9556004918545504
Energy: 2.2254958197625476
Energy: 1.9751628176717304
Energy: 1.8799247180324952
Energy: 2.1238170370476643
Energy: 2.0003292801112744
Energy: 2.0095609257476137
Energy: 1.9665816791623532
Energy: 2.150922094823125
Energy: 1.9739875666730111
Energy: 1.9188736319638988
Energy: 2.073770943551041
Energy: 1.8517080386495335
Energy: 2.0032968129428292
Energy: 2.070778458529984
Energy: 2.0455243992301395
Energy: 1.9952608198022674
Energy: 1.9142290808746427
Energy: 2.020225036635299

minimum gb energy = 1.6316269983046272 eV
minimum distance =  2.15985613135389 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.770883324291209
Energy: 1.7299834447110776
Energy: 1.7500335421510713
Energy: 1.731155715934905
Energy: 1.7280303404743347
Energy: 1.7494472510548014
Energy: 1.7307401537296392
Energy: 1.6588248219506152
Energy: 1.9939109535935582
Energy: 1.7072011051575948
Energy: 1.7109537186667092
Energy: 1.7103755932113185
Energy: 1.7102084116453846
Energy: 1.9945285889798392
Energy: 1.760686546243693
Energy: 1.9958112748506696
Energy: 1.7115263597132928
Energy: 1.7092890921111301
Energy: 1.7082882573232
Energy: 1.710091539945979
Energy: 1.727877653227649
Energy: 1.761880435235954
Energy: 1.9995653729580598
Energy: 1.7115592283670464
Energy: 1.710075485137473
Energy: 1.7094979162148056
Energy: 1.7108294078441926
Energy: 1.7317354852987845
Energy: 1.6605093273857092
Energy: 1.9930632064649625
Energy: 1.6297456057421211
Energy: 1.9663465977699772
Energy: 1.7087991120973929
Energy: 1.6286390572344545
Energy: 1.9968559814796796
Energy: 1.708761304575893
Energy: 1.999011565395484
Energy: 1.7087057298954849
Energy: 1.7300937479986809
Energy: 1.7086436769825886
Energy: 1.710739508342175
Energy: 1.7296884165845496
Energy: 1.761723713540252
Energy: 1.9949872342799
Energy: 1.7111728947126732
Energy: 1.7098797680899702
Energy: 1.7092608472724258
Energy: 1.7099021650892559
Energy: 2.146966324462737
Energy: 1.7603290940581364
Energy: 1.9648946609590319
Energy: 1.7114782142112095
Energy: 1.7093291670584663
Energy: 1.7082314254509037
Energy: 1.7099117764834835
Energy: 1.9958406321928641
Energy: 1.7078738498735384
Energy: 2.000073892038861
Energy: 1.7077979567278545
Energy: 1.7104337850513986
Energy: 1.7095628976375903
Energy: 1.7125732224711987
Energy: 1.7313777829758477
Energy: 1.628881681016159
Energy: 1.9937573331071132
Energy: 1.6293962296577431
Energy: 1.9650566633002031
Energy: 2.1473963525103326
Energy: 1.6290891492260633
Energy: 1.9958520881426995
Energy: 1.7611178689219866
Energy: 1.9994048105602948
Energy: 1.7079541269561522
Energy: 1.7099467860147108
Energy: 1.7105875014219867
Energy: 1.71024728535346
Energy: 1.7308935122153204
Energy: 1.7600218384885324
Energy: 1.9967261207917544
Energy: 1.7111656053424482
Energy: 1.708964661842851
Energy: 1.7084457275718234
Energy: 1.7101392613375914
Energy: 1.9938219490573292
Energy: 1.7619691573975849
Energy: 1.993747773078363
Energy: 1.7076918500255984
Energy: 1.7103315164351756
Energy: 1.709618628524906
Energy: 1.7108849013429777
Energy: 1.9953385587403372
Energy: 1.7100044927073659
Energy: 2.000082122580618
Energy: 1.7078071152202878
Energy: 1.7311492569928142
Energy: 1.7300987274975907
Energy: 1.7084887347125202
Energy: 1.731940651056043
Energy: 1.6590529094868591
Energy: 2.1472622181218664
Energy: 1.6293515332387363
Energy: 1.7118692743902955
Energy: 1.7074981623316787
Energy: 1.7073193039206016
Energy: 1.9950769145745182
Energy: 1.7603642878963253
Energy: 2.038150113211374
Energy: 1.712156519427129
Energy: 1.7097340724458145
Energy: 1.7093188430807198
Energy: 1.7102285959594372
Energy: 1.727737720233509
Energy: 1.7605520387242288
Energy: 1.9968282226023026
Energy: 1.711596775719582
Energy: 1.7095899336211895
Energy: 1.708689995376998
Energy: 1.7105722133680645
Energy: 1.7281561836434691
Energy: 1.6588868576058964
Energy: 1.9940920520042378
Energy: 1.7073968447442482
Energy: 1.7111522792052827
Energy: 1.7116393260785652
Energy: 1.7069267472074612
Energy: 1.9953057983167792
Energy: 1.728994925709169
Energy: 2.000696643153759
Energy: 1.7099140173685525
Energy: 1.730979400606106
Energy: 1.7289532213350425
Energy: 1.7095650467856505
Energy: 1.7301142711934663
Energy: 1.7084287112080494
Energy: 1.9937772495502861
Energy: 1.707176520544401
Energy: 1.71056391059747
Energy: 1.7099280338394596
Energy: 1.7099755606443188
Energy: 1.9955593980941089

minimum gb energy = 1.6286390572344545 eV
minimum distance =  2.21693089197994 Angstroms
sigma value = 23