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
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.0556727302536998e-19, 2.9073097200564e-19, 3.5552299508459994e-19, 4.0808880826950593e-19, 4.521342461148e-19, 4.897517513044859e-19, 5.22267926091516e-19, 5.505928068040019e-19, 5.753864902151519e-19, 5.971424467282379e-19, 6.162484030886879e-19, 6.33008772856962e-19, 6.47676699941232e-19, 6.6045726295065e-19, 6.71523496961688e-19, 6.81026006577942e-19, 6.89086557223596e-19, 6.95820505616298e-19, 7.01319175824186e-19, 7.05669085385496e-19, 7.08945536602026e-19, 7.112158208924039e-19, 7.1253921879208805e-19, 7.1296860213e-19, 7.125087774360419e-19, 7.110235596963239e-19, 7.08336709481106e-19, 7.0424154600460195e-19, 6.98489731888542e-19, 6.907848644556359e-19, 6.807744648464039e-19, 6.680323540762019e-19, 6.52044233445516e-19, 6.321820497138179e-19, 6.0767355374352e-19, 5.775734613205619e-19, 5.406993660890519e-19, 4.955708568391739e-19, 4.4031338690914795e-19, 3.72526895701242e-19, 2.89109569252032e-19, 1.8600149197096198e-19, 5.78018866424814e-20, -1.0278155368306078e-19, -3.0603976974350996e-19, -5.6771526849156e-19, -9.1344896434242e-19, -1.3876019239382817e-18, -2.07231934548096e-18, -3.13174262294712e-18, -4.92385729690782e-18, -8.311179136510619e-18, -1.5624314382403618e-17, -3.39751168299504e-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: 0.01810389408910463
Energy: 1.8617075455260816
Energy: 1.4892934569813407
Energy: 1.185976428128646
Energy: 1.8617075455241703
Energy: 2.055975242142127
Energy: 1.1987917084345918
Energy: 1.5861277046631834
Energy: 1.4892934570789529
Energy: 1.2017778423702778
Energy: 0.01810389408976616
Energy: 1.8617075455260816
Energy: 1.252871189088366
Energy: 1.4730534389589653
Energy: 1.8617075455254566
Energy: 2.124391352540009

minimum gb energy = 0.01810389408910463 eV
minimum distance =  2.29751262546434 Angstroms
sigma value = 1


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

Energy: 2.2918736053397546
Energy: 2.2039107442341437
Energy: 1.5857447040267558
Energy: 2.118139602365652
Energy: 2.1779262343228574
Energy: 2.109421525459171
Energy: 2.4438846810789197
Energy: 2.109421525972419
Energy: 1.6725317904385197
Energy: 2.1926095474492597
Energy: 2.4942848031986915
Energy: 2.192609547134835
Energy: 2.249579561066676
Energy: 2.2505270484078292
Energy: 2.6404431848828853
Energy: 2.25052704847121
Energy: 2.0847365390772947
Energy: 2.102354780657501
Energy: 1.7530971364168422
Energy: 2.102354780657501
Energy: 2.3547465005639574
Energy: 1.868917290874259
Energy: 2.400397460729721
Energy: 1.8689172909760772
Energy: 1.6307783143380978
Energy: 2.0070208043842657
Energy: 2.0073297391227314
Energy: 2.0070208043834636
Energy: 2.098862011183954
Energy: 1.8998893514920987
Energy: 2.021251548891178
Energy: 1.8998893514920987
Energy: 1.7984477121914386
Energy: 1.7314618589179112
Energy: 1.7626199158091778
Energy: 1.7314618589179112
Energy: 1.921178181317677
Energy: 1.761219559769434
Energy: 2.0257524033136516
Energy: 1.7612195597686315
Energy: 1.8519441622366104
Energy: 1.866596366560757
Energy: 1.6588075143752434
Energy: 1.8665963665591525
Energy: 2.0416534290347013
Energy: 1.8117089471250347
Energy: 2.0576176700589826
Energy: 1.81170894712343
Energy: 1.6545900358132266
Energy: 2.27988943969207
Energy: 1.9898554810245281
Energy: 2.2798894396896627
Energy: 1.9998215130523345
Energy: 2.003396279722888
Energy: 2.2384896872465823
Energy: 2.003396279728504
Energy: 2.2332161306746277
Energy: 2.1581531519660233
Energy: 1.5429244970876301
Energy: 2.1581531519660233
Energy: 2.0361184293440937
Energy: 2.2056608473231942
Energy: 2.343597350720889
Energy: 2.205660849894173
Energy: 1.747506697424487
Energy: 2.2305529821182914
Energy: 2.3697174111365027
Energy: 2.230552982116687
Energy: 2.118437118585167
Energy: 2.1578305993873528
Energy: 2.2620956313231217
Energy: 2.1578305996455454
Energy: 2.361560669527547
Energy: 2.2453602983967977
Energy: 1.6832471385808099
Energy: 2.2453602983967977
Energy: 2.3423698734354215
Energy: 2.177922299118605
Energy: 1.9806288408665693
Energy: 2.1779222952148007
Energy: 1.5331984649605623
Energy: 1.9950724618541498
Energy: 2.1163242183918367
Energy: 1.9950724618541498
Energy: 1.9131614817291824
Energy: 2.099029271602008
Energy: 2.0428817805670216
Energy: 2.0990292716028103
Energy: 2.103605895113496
Energy: 1.9226063306729084
Energy: 1.6767429323896286
Energy: 1.9226063306625518
Energy: 1.8461280506816302
Energy: 1.8631948915245187
Energy: 1.7812463396408011
Energy: 1.863194891525321
Energy: 1.6541599479170825
Energy: 1.7884419489913534
Energy: 1.8623650142746067
Energy: 1.7884419493361199
Energy: 2.0705421780506743
Energy: 1.89826524341529
Energy: 1.871900413008761
Energy: 1.89826524341529
Energy: 1.835938527897921
Energy: 1.910132061115578
Energy: 1.743078817181787
Energy: 1.9101320611147758
Energy: 2.130901141074819
Energy: 1.890075677644864
Energy: 2.0748334216034876
Energy: 1.890075677644864
Energy: 2.0296294450828958
Energy: 2.0808000394323725
Energy: 1.6323893977730988
Energy: 2.0808000394331754
Energy: 2.245568472923131
Energy: 2.1056226306231
Energy: 1.8839931057028627
Energy: 2.1056226304225993
Energy: 1.5123975618187002
Energy: 2.1418071413983752
Energy: 2.0864560884870476
Energy: 2.141807141397573
Energy: 2.2671761824417973
Energy: 2.2070469667242376
Energy: 1.9915512372139825
Energy: 2.2070469667138077
Energy: 2.544612345036732
Energy: 2.012916736562367
Energy: 1.726091313255472
Energy: 2.0129167372127332

minimum gb energy = 1.5123975618187002 eV
minimum distance =  2.18972861124084 Angstroms
sigma value = 1


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

Energy: 2.3630215187563897
Energy: 2.0911661492199087
Energy: 1.7086036352461997
Energy: 2.4212810392052924
Energy: 2.3398937965470763
Energy: 2.450323649714086
Energy: 2.4141520249889075
Energy: 2.450323659705143
Energy: 1.7466913632828027
Energy: 2.192268237621967
Energy: 2.343636202489802
Energy: 2.1922682377198037
Energy: 2.4351986557960905
Energy: 2.283869712316193
Energy: 2.261131097035762
Energy: 2.283869712330829
Energy: 2.1326999742380357
Energy: 2.1240760376666272
Energy: 1.642528028108874
Energy: 2.124076037663883
Energy: 2.165554885138448
Energy: 1.9530808133677218
Energy: 2.0665953992019253
Energy: 1.9530808133722954
Energy: 1.712135993500743
Energy: 1.898186259899601
Energy: 1.9984518366583595
Energy: 1.898186259900516
Energy: 2.109756812632716
Energy: 1.9732412764755558
Energy: 1.942896420923405
Energy: 1.9732412764783
Energy: 1.7851204948427293
Energy: 1.8729213964080202
Energy: 1.9955656307918002
Energy: 1.8729213964052758
Energy: 1.9993517992439
Energy: 1.8519405719905382
Energy: 2.304673452969839
Energy: 1.8519405717966937
Energy: 1.961331955594387
Energy: 1.8736972063805717
Energy: 1.8786227190800544
Energy: 1.8736972063769128
Energy: 2.191701892056245
Energy: 1.950040321653992
Energy: 2.26006173978828
Energy: 1.9500403215918305
Energy: 1.646320726707084
Energy: 2.1874499163254755
Energy: 2.212526692162984
Energy: 2.187449916365683
Energy: 2.1922702300066255
Energy: 2.252951481944059
Energy: 2.0226413055151995
Energy: 2.252951481944973
Energy: 2.53367912800565
Energy: 1.997325400581479
Energy: 1.6714646145594525
Energy: 1.9973253921447953
Energy: 2.417693448939245
Energy: 2.651595107799947
Energy: 2.4060669589836072
Energy: 2.6515951077121724
Energy: 1.8147744173299978
Energy: 2.189492541577104
Energy: 2.321239484765339
Energy: 2.1894925415560644
Energy: 1.8515156107225084
Energy: 2.4334491328826635
Energy: 2.2037057582999817
Energy: 2.433449132849774
Energy: 2.280967508897902
Energy: 2.0816514305529368
Energy: 1.5532143446465088
Energy: 2.0816514305556812
Energy: 2.1846547511942878
Energy: 2.0175249866395726
Energy: 1.787176808124801
Energy: 2.0175249866395726
Energy: 1.8506578336405815
Energy: 1.8532955042586643
Energy: 1.968566054977992
Energy: 1.8532955042595787
Energy: 2.0106175601042398
Energy: 1.9969971185994921
Energy: 1.8025835848180276
Energy: 1.9969971185043993
Energy: 1.8985599635434134
Energy: 1.9304791836274005
Energy: 1.7849904232678175
Energy: 1.9304791836365478
Energy: 2.0504355026388192
Energy: 1.940991800306304
Energy: 2.0492594049624446
Energy: 1.9409918003017301
Energy: 1.9232483891526804
Energy: 1.9235633461679407
Energy: 1.84432784216296
Energy: 1.92356334616977
Energy: 2.180708559498591
Energy: 1.997721031697728
Energy: 1.872978754115627
Energy: 1.9977210316968133
Energy: 1.7872755018111537
Energy: 2.095699238601101
Energy: 2.0359721376598956
Energy: 2.0956992386001865
Energy: 2.178440942321212
Energy: 2.233585772243479
Energy: 2.166807323902774
Energy: 2.2335857722050596
Energy: 2.442793894599673
Energy: 2.507221162340504
Energy: 1.813500077918907
Energy: 2.507221162409983

minimum gb energy = 1.5532143446465088 eV
minimum distance =  2.12827018045799 Angstroms
sigma value = 25


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

Energy: 2.6404161484970676
Energy: 2.373610779292157
Energy: 1.8218758583742372
Energy: 2.1572685697477656
Energy: 2.37340230063152
Energy: 2.3814223293315826
Energy: 2.5106884754518797
Energy: 2.3814223293390264
Energy: 1.8689031432484993
Energy: 2.39191035811691
Energy: 2.313579473297818
Energy: 2.3919103581509384
Energy: 2.5004443309908098
Energy: 2.503249139649241
Energy: 2.292678887296621
Energy: 2.5032491396768406
Energy: 2.202528994780439
Energy: 1.9613862627907828
Energy: 1.755735623853194
Energy: 1.961386262788656
Energy: 2.119148573216984
Energy: 2.0311276403155083
Energy: 2.2710002539556275
Energy: 2.031127640314445
Energy: 2.129587465345095
Energy: 1.8240417450964126
Energy: 1.8775792209555182
Energy: 1.824041745094286
Energy: 2.0130904713066444
Energy: 2.054157908187833
Energy: 1.7961179501411433
Energy: 2.054157908187833
Energy: 1.6811784288389817
Energy: 1.7583567766038397
Energy: 1.7630775369649883
Energy: 1.7583567765942694
Energy: 1.9790729588052292
Energy: 2.0650127627937547
Energy: 2.1710737254939776
Energy: 2.0650127627926915
Energy: 2.10850997067538
Energy: 1.9241030998046769
Energy: 1.9313152613808109
Energy: 1.92410309980574
Energy: 2.1375783921910414
Energy: 2.2510527981236836
Energy: 2.2556925428226093
Energy: 2.2510528092757234
Energy: 1.811968076861274
Energy: 2.3597770366646995
Energy: 2.350854670800253
Energy: 2.3597774971636727
Energy: 2.1560781598964134
Energy: 2.5453635849221548
Energy: 2.4999544787961954
Energy: 2.545363584857337
Energy: 2.325828570887678
Energy: 2.2602804559207748
Energy: 1.9486313293864443
Energy: 2.2602804562151855
Energy: 2.4460529772366577
Energy: 2.375430884016203
Energy: 2.0605723710196213
Energy: 2.375430884103352
Energy: 1.717987990601738
Energy: 1.8335451332208563
Energy: 2.213568634735547
Energy: 1.8335451332187296
Energy: 1.8772892189197177
Energy: 2.033054264180502
Energy: 1.9159443991335083
Energy: 2.0330542641932623
Energy: 1.8742277893365065
Energy: 1.9034702990383674
Energy: 2.074287637750322
Energy: 1.9034702990383674
Energy: 1.8698481198814456
Energy: 1.960422499957877
Energy: 2.1572651147591384
Energy: 1.960422499957877
Energy: 1.783372850680724
Energy: 1.8604945328404274
Energy: 1.9479083395842998
Energy: 1.8604945328404274
Energy: 2.0463366990193634
Energy: 2.0423993364252406
Energy: 2.123176170751025
Energy: 2.0423993364241775
Energy: 1.783197713457704
Energy: 2.3171029554660367
Energy: 2.170580563471893
Energy: 2.31710295547029
Energy: 2.1704189827366007
Energy: 2.2698539458440075
Energy: 2.1369847183786366
Energy: 2.2698539457908384
Energy: 2.1512719906475524
Energy: 2.5082622341536407
Energy: 1.7676776685419961
Energy: 2.5082622343024177

minimum gb energy = 1.6811784288389817 eV
minimum distance =  2.10094747649945 Angstroms
sigma value = 9


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

Energy: 2.3986845066177427
Energy: 2.4216849279738493
Energy: 1.9818626955250633
Energy: 2.3977230834419867
Energy: 2.676975418726116
Energy: 2.657311531351083
Energy: 2.655795263693756
Energy: 2.6573115313409352
Energy: 2.1985339223880875
Energy: 2.4614530320291292
Energy: 2.5687153918272085
Energy: 2.4614530320722308
Energy: 2.5227109377743324
Energy: 2.3844541459218354
Energy: 2.5944524094400223
Energy: 2.3844541459205675
Energy: 2.212933983345353
Energy: 2.0176822455719097
Energy: 1.891674380350415
Energy: 2.0176822455706414
Energy: 2.0776067207605364
Energy: 2.175386209947353
Energy: 2.237411918428097
Energy: 2.175386209947353
Energy: 1.921997151166611
Energy: 2.067772919949689
Energy: 1.9753980511748723
Energy: 2.067772919949689
Energy: 2.146544069019488
Energy: 2.102001179350152
Energy: 2.423896586876274
Energy: 2.1020011793463462
Energy: 1.9546886491067015
Energy: 1.9655973987539712
Energy: 2.2039995839460214
Energy: 1.965597398748897
Energy: 2.016132248597399
Energy: 2.2426100020852062
Energy: 2.284888141847771
Energy: 2.2426100020915487
Energy: 2.3064515641782934
Energy: 2.255511404219039
Energy: 1.827549561442432
Energy: 2.255511404219039
Energy: 2.6680064926464766
Energy: 2.37744521863179
Energy: 2.5925029432101754
Energy: 2.377445218635595
Energy: 1.9660587051591008
Energy: 2.185554333237646
Energy: 2.607774398472284
Energy: 2.1855543332503315
Energy: 2.0701523285100563
Energy: 2.4842988468139855
Energy: 2.5004226478331915
Energy: 2.484298846522367
Energy: 2.2094219139318065
Energy: 2.1593255847928035
Energy: 2.082127823420688
Energy: 2.1593255847928035
Energy: 2.4251977641885905
Energy: 2.1367070987174244
Energy: 2.1499249901762614
Energy: 2.1367071001616216
Energy: 1.9982935572299891
Energy: 1.9778422898772199
Energy: 2.2301459762206615
Energy: 1.9778422898772199
Energy: 1.9497577315274306
Energy: 2.1214350893748164
Energy: 1.980480992583526
Energy: 2.1214350893748164
Energy: 2.063345462374706
Energy: 2.0558106115351324
Energy: 2.2163034909215047
Energy: 2.0558106115123285
Energy: 2.3438441158556653
Energy: 2.377139575380801
Energy: 2.296387127215335
Energy: 2.377139575380801
Energy: 2.475602840900758
Energy: 2.419244773212813
Energy: 1.9393829431288756
Energy: 2.419244768416081

minimum gb energy = 1.827549561442432 eV
minimum distance =  2.12874383336753 Angstroms
sigma value = 25


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

Energy: 2.2180590989463833
Energy: 1.8795414649688937
Energy: 2.2402367123055535
Energy: 2.5497392739271914
Energy: 2.468081709404234
Energy: 2.68473465801775
Energy: 2.870953390785018
Energy: 2.6847346580193183
Energy: 2.146522273725615
Energy: 2.5146380391107397
Energy: 2.178002382684816
Energy: 2.5146380380601143
Energy: 2.4241601991265287
Energy: 2.6062397919746743
Energy: 2.419849439493454
Energy: 2.6062397107208457
Energy: 2.0980533239914525
Energy: 1.8291662981315582
Energy: 1.9807982700664166
Energy: 1.8291662968943545
Energy: 2.0882779535343343
Energy: 2.23191295959823
Energy: 2.063538065359687
Energy: 2.2319129597299727
Energy: 1.874453376694767
Energy: 2.0212082099420723
Energy: 2.130434371138874
Energy: 2.021208209938935
Energy: 2.011721252707752
Energy: 2.427008103124202
Energy: 2.5724422862845087
Energy: 2.4270081031257704
Energy: 2.117058691742135
Energy: 2.2755800791148375
Energy: 2.333705877698259
Energy: 2.2755800728863553
Energy: 2.414565879437633
Energy: 2.874599436314471
Energy: 2.5574200938511975
Energy: 2.8745994363254526
Energy: 2.274654894751372
Energy: 2.93604590860008
Energy: 2.416475777360672
Energy: 2.9360459086032176
Energy: 2.5545928199308037
Energy: 2.7970404302852305
Energy: 2.0923828900642785
Energy: 2.7970404302852305
Energy: 2.4196663780869208
Energy: 2.0729946409658604
Energy: 2.106187126992065
Energy: 2.072994640964292
Energy: 1.9691752006353038
Energy: 2.235036021975918
Energy: 2.1304124294775884
Energy: 2.2350360219806245
Energy: 1.5445855146951346
Energy: 2.3711368629917455
Energy: 1.9601912308559357
Energy: 2.3711368629917455
Energy: 2.832141584274387
Energy: 2.538198867328163
Energy: 1.8595383790331192
Energy: 2.538198867331301
Energy: 2.3987653010317715
Energy: 2.6463290479807213
Energy: 1.991518233846098
Energy: 2.646329154454179

minimum gb energy = 1.5445855146951346 eV
minimum distance =  2.07819127911984 Angstroms
sigma value = 17


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

Energy: 2.0107784918805907
Energy: 2.5149668673213528
Energy: 2.278361805207521
Energy: 2.720970167314941
Energy: 2.713751258669532
Energy: 3.004795366811161
Energy: 2.9960827632975553
Energy: 3.004795366810272
Energy: 2.072168173379057
Energy: 2.503281625652513
Energy: 2.234854268936082
Energy: 2.503281625652513
Energy: 2.1097337727616865
Energy: 2.494254800022155
Energy: 2.4705014573902297
Energy: 2.4942548010292547
Energy: 2.075922692645581
Energy: 2.021350379565684
Energy: 1.9615294657878501
Energy: 2.0213503795763463
Energy: 2.3534362753758646
Energy: 2.4929086668955596
Energy: 2.203505122599502
Energy: 2.4929086668955596
Energy: 2.0724070032934057
Energy: 2.292348743563872
Energy: 2.1422600535865226
Energy: 2.292348743563872
Energy: 2.9497904916495714
Energy: 2.764649722866052
Energy: 2.463387697309987
Energy: 2.764649722866052
Energy: 2.245947477400604
Energy: 3.0825512160280604
Energy: 2.248496983264811
Energy: 3.0825512160271717
Energy: 2.5710493870538826
Energy: 2.8145678616568275
Energy: 2.8346315815480345
Energy: 2.814567861657716
Energy: 2.112051087053763
Energy: 2.2257169641937047
Energy: 2.2546148048024186
Energy: 2.2257169641954815
Energy: 2.5015793941744504
Energy: 2.234618891748823
Energy: 1.9805399506247354
Energy: 2.2346188917959124
Energy: 2.1383389259675174
Energy: 2.1202630935933713
Energy: 1.958998418457931
Energy: 2.120263093874012
Energy: 2.139473877010767
Energy: 2.6781326607757063
Energy: 2.1368021326454896
Energy: 2.6781326607783718
Energy: 2.43271274590744
Energy: 2.9395212525272396
Energy: 2.7034731887829984
Energy: 2.939521252524574
Energy: 2.347274296013322
Energy: 3.146990519657267
Energy: 2.4993838098417136
Energy: 3.1469905198153367
Energy: 2.3309966704331315
Energy: 2.9159073087076615
Energy: 2.2301903235180602
Energy: 2.915907308710327
Energy: 2.4653026983800475
Energy: 2.3140140033376735
Energy: 2.053868814208897
Energy: 2.3140140033341194
Energy: 2.0665876172234645
Energy: 2.3834513576792546
Energy: 2.03446469431185
Energy: 2.3834513576765888
Energy: 2.0166948519276806
Energy: 2.1408547581715482
Energy: 2.2555553743651324
Energy: 2.116130294547143
Energy: 2.401379894617822
Energy: 2.357435227838543
Energy: 2.505475157856924
Energy: 2.35743522610143
Energy: 2.2272749671094387
Energy: 2.768118396806263
Energy: 2.0979076723418126
Energy: 2.768118396806263
Energy: 3.063631039294004
Energy: 2.75505510302976
Energy: 2.5852257399838505
Energy: 2.7550551054498365
Energy: 2.3252072289828654
Energy: 2.955174630138298
Energy: 2.3250659034023684
Energy: 2.955174630139186
Energy: 2.5230197858198955
Energy: 2.6176014617414607
Energy: 2.734477029960886
Energy: 2.617601461727245
Energy: 1.8035890106195323
Energy: 2.0961903595948774
Energy: 2.0622144638546804
Energy: 2.0961903595948774
Energy: 2.0912945154448765
Energy: 2.3475943553983116
Energy: 2.190682557880793
Energy: 2.3475943553983116
Energy: 2.1240144806386954
Energy: 2.135847089324929
Energy: 2.0921982427063783
Energy: 2.135847089327594
Energy: 3.04900979937457
Energy: 2.8225386425231087
Energy: 2.3970245212713928
Energy: 2.822538643627013
Energy: 2.151095612584683
Energy: 2.903548567088415
Energy: 2.273783419768423
Energy: 2.903548567087527

minimum gb energy = 1.8035890106195323 eV
minimum distance =  2.09297837185382 Angstroms
sigma value = 53


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

Energy: 1.810609306769095
Energy: 1.899242828084629
Energy: 2.354495932391728
Energy: 2.3649280862112354
Energy: 2.418639213989515
Energy: 3.028546959827288
Energy: 3.6169376981519847
Energy: 3.028546959827288
Energy: 1.8943209434912964
Energy: 3.1361640878701977
Energy: 2.1077509336589677
Energy: 3.1361640880664683
Energy: 2.761958158888873
Energy: 3.079110288736796
Energy: 2.787600351290709
Energy: 3.0791102887347503
Energy: 1.7354154609910977
Energy: 2.490601353288559
Energy: 1.8781875787331554
Energy: 2.490601350080643
Energy: 2.4530414531420597
Energy: 2.6591319393825845
Energy: 1.871418607153901
Energy: 2.659131939464356
Energy: 2.162891849228068
Energy: 2.5152835871990016
Energy: 2.4956260803074755
Energy: 2.5152835871990016
Energy: 2.5799609230926523
Energy: 2.9321770111494536
Energy: 2.927351966152632
Energy: 2.9321770111658174
Energy: 2.316588796622617
Energy: 3.075802435552151
Energy: 1.8538468512563495
Energy: 3.075802435552151
Energy: 2.5742742528013234
Energy: 2.7558308403071057
Energy: 3.1200301419414984
Energy: 2.7558308393012094
Energy: 1.6336731404934823
Energy: 2.7353920550331243
Energy: 2.004399690332621
Energy: 2.735392055020898
Energy: 2.0875220566071855
Energy: 2.494752562344359
Energy: 1.8568381113026102
Energy: 2.494752562344359
Energy: 2.6420986799321335
Energy: 2.2934440567093746
Energy: 2.6132775863217224
Energy: 2.3084195227660276

minimum gb energy = 1.6336731404934823 eV
minimum distance =  2.152913975023 Angstroms
sigma value = 9


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

Energy: 2.250597072951009
Energy: 2.7621887477815883
Energy: 2.530003581539262
Energy: 3.134301471501311
Energy: 2.944130742411757
Energy: 2.9048293802996707
Energy: 3.0960646967216943
Energy: 2.904829997747436
Energy: 2.610622473221976
Energy: 2.658636898836989
Energy: 1.8571029625830058
Energy: 2.658636898836232
Energy: 2.0975218296969373
Energy: 2.587698611962541
Energy: 2.369531229789037
Energy: 2.5876986119617844
Energy: 2.102645760011017
Energy: 2.3247900610846686
Energy: 2.3762870287795885
Energy: 2.3247900610839114
Energy: 2.6686470209980175
Energy: 2.8714777529442976
Energy: 2.352263052719576
Energy: 2.871477752960196
Energy: 2.4280852575347853
Energy: 3.265243516194521
Energy: 2.6371351605821296
Energy: 3.265243516203605
Energy: 2.8861290499149512
Energy: 2.7597035326211445
Energy: 2.6613269919638607
Energy: 2.759703532620388
Energy: 2.53509088704315
Energy: 2.5784399544464454
Energy: 1.9926392308414704
Energy: 2.578439954447202
Energy: 2.1650486441716814
Energy: 2.4611062761628313
Energy: 2.8013916956488867
Energy: 2.461106276168131
Energy: 2.239482431783199
Energy: 2.3089714645763353
Energy: 2.896146769518135
Energy: 2.308971464573307
Energy: 2.561225639810735
Energy: 3.132424854846502
Energy: 2.049246922493251
Energy: 3.132424854845745
Energy: 2.8809083300693317
Energy: 3.115643445310175
Energy: 3.1546213482935186
Energy: 3.115643445310175
Energy: 2.6068157334175655
Energy: 2.615578126622059
Energy: 2.7628333103573923
Energy: 2.6155781266205453
Energy: 2.687924981596859
Energy: 2.615328777459661
Energy: 2.3637409892505863
Energy: 2.6153287773083185
Energy: 2.046197197928143
Energy: 2.1042431521365157
Energy: 2.3715620078769932
Energy: 2.104242082487226
Energy: 2.69498233644496
Energy: 2.5666496752445447
Energy: 2.7789663413105195
Energy: 2.566659234170826
Energy: 2.6093124486000985
Energy: 3.025557318753324
Energy: 2.0701063908999804
Energy: 3.0255573187540805
Energy: 3.0595865462173455
Energy: 2.9591951462873354
Energy: 2.999157148993334
Energy: 2.9591951462873354
Energy: 2.0807201370846986
Energy: 2.565875049712637
Energy: 2.2836765940456236
Energy: 2.5658750497141503
Energy: 2.483964741185946
Energy: 2.5074000116952813
Energy: 2.249827941078878
Energy: 2.507400009166305
Energy: 2.4733954634464723
Energy: 2.309780363263323
Energy: 2.4020436352120447
Energy: 2.309780363262566
Energy: 2.377145676293249
Energy: 2.7695404379129616
Energy: 2.6073592647407495
Energy: 2.7695404379091766
Energy: 2.601505091098508
Energy: 3.2489415882235377
Energy: 2.4920269258698515
Energy: 3.248941588213008
Energy: 2.32384611543299
Energy: 2.7388501586217386
Energy: 2.7816734261487817
Energy: 2.7388501586217386
Energy: 2.0140101957634133
Energy: 2.615879209079788
Energy: 2.7576849014727154
Energy: 2.615879209079788
Energy: 2.5466060475283867
Energy: 2.2450720046119974
Energy: 2.105172658379286
Energy: 2.2450720050735944
Energy: 2.849324446520945
Energy: 2.4987337264443656
Energy: 2.244749189585411
Energy: 2.4987337264458804
Energy: 1.8521400943617832
Energy: 2.6466839155779027
Energy: 2.517381145502344
Energy: 2.6466839155809305
Energy: 3.02813936066378
Energy: 2.8045420961539484
Energy: 2.848101294864128
Energy: 2.8045420961531904
Energy: 2.628961689063719
Energy: 2.73361583217158
Energy: 2.1972706946126084
Energy: 2.733615832170823
Energy: 2.2240380104534068
Energy: 2.7089215483987235
Energy: 2.754580500469503
Energy: 2.70892154839721
Energy: 2.371725476681097
Energy: 2.2566373560354025
Energy: 2.1298518141724254
Energy: 2.2566373560338886
Energy: 2.77817319140635
Energy: 2.714923659970061
Energy: 2.697049099612738
Energy: 2.7149236599715745
Energy: 2.075309632656402
Energy: 3.154151421092855
Energy: 2.5825088293762697
Energy: 3.154151519310413

minimum gb energy = 1.8521400943617832 eV
minimum distance =  2.05740437783248 Angstroms
sigma value = 73


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

Energy: 2.153722361698855
Energy: 2.6758782645430013
Energy: 2.4834009855950594
Energy: 2.9980613498585567
Energy: 3.036377838973972
Energy: 3.0457871001935333
Energy: 2.868714448170924
Energy: 3.045787100194734
Energy: 2.3979959344021533
Energy: 2.5988554994302655
Energy: 1.9256881473660938
Energy: 2.598855499429064
Energy: 2.106646947535816
Energy: 2.6188286172745867
Energy: 2.8073562332219146
Energy: 2.618829771087197
Energy: 2.389649922636098
Energy: 2.3627687292575814
Energy: 2.442561169894446
Energy: 2.3627687292683643
Energy: 2.8378693439190656
Energy: 2.9383835666986
Energy: 2.6848850092359497
Energy: 2.9384849142929554
Energy: 2.676559579175848
Energy: 3.0270325930115747
Energy: 2.5376658226633544
Energy: 3.0270325929022994
Energy: 2.987412047608109
Energy: 2.7979413276915905
Energy: 2.9521224033566797
Energy: 2.797941327690389
Energy: 2.443297123809208
Energy: 2.509209909216691
Energy: 2.0219549644779384
Energy: 2.509209909216691
Energy: 2.321528013470723
Energy: 2.419516713762465
Energy: 2.2936301990901935
Energy: 2.4195167137636657
Energy: 2.27243916799911
Energy: 2.385674814128075
Energy: 2.9945077992104543
Energy: 2.3856748145134468
Energy: 2.3739582449584553
Energy: 2.735758316440704
Energy: 2.06496933169043
Energy: 2.735758316438302
Energy: 2.7405106245258244
Energy: 2.9871314615835347
Energy: 2.9710878893793287
Energy: 2.9871314615835347
Energy: 2.3282333484248943
Energy: 2.239832727473289
Energy: 2.579299802539387
Energy: 2.239832727906706
Energy: 2.7445036013277933
Energy: 2.66305289594552
Energy: 2.1616006234196794
Energy: 2.6630528959479225
Energy: 2.4185278932602805
Energy: 2.4348324478384478
Energy: 2.392872610463027
Energy: 2.4348324478384478
Energy: 2.9256684770771058
Energy: 2.8858165003115888
Energy: 2.906631429000524
Energy: 2.88581650031279
Energy: 2.716950247523885
Energy: 2.7237233183421883
Energy: 2.600311305558895
Energy: 2.723723318352971
Energy: 2.75316248971408
Energy: 2.928110915094107
Energy: 2.538363843732752
Energy: 2.928110915094107
Energy: 1.8875433870308869
Energy: 2.267465085614399
Energy: 2.576289334431763
Energy: 2.267465085387468
Energy: 2.777309246521218
Energy: 2.6770030744361426
Energy: 2.3559217633923226
Energy: 2.6770030744361426
Energy: 2.6981903165134744
Energy: 2.6475550618241965
Energy: 2.7375530908030274
Energy: 2.6475550621087285

minimum gb energy = 1.8875433870308869 eV
minimum distance =  2.09613521201658 Angstroms
sigma value = 7


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

Energy: 2.429602961347673
Energy: 3.2876053484774856
Energy: 2.5493930864287897
Energy: 3.1919855545915614
Energy: 2.8509578759231267
Energy: 2.8255142934473585
Energy: 3.023406294787808
Energy: 2.825514293405742
Energy: 2.5551844774335017
Energy: 2.3424742952952324
Energy: 2.4389222139376434
Energy: 2.34247427061117
Energy: 2.0741506396926432
Energy: 2.7689322477358735
Energy: 2.5477159916647016
Energy: 2.768932247735024
Energy: 2.3898419078320225
Energy: 2.416892251126943
Energy: 2.42788821577244
Energy: 2.4168923810994283
Energy: 2.529978812507429
Energy: 2.8559737219889043
Energy: 2.46482906671677
Energy: 2.8559737219923016
Energy: 2.5514910588101927
Energy: 3.283528939476584
Energy: 2.4766421340448814
Energy: 3.283528939476584
Energy: 2.499977438754225
Energy: 2.5056916567277825
Energy: 2.348813497654751
Energy: 2.5056916567260834
Energy: 2.8377354477089005
Energy: 2.781523630635564
Energy: 2.2385557590142975
Energy: 2.781523630631318
Energy: 1.8392209819067118
Energy: 2.66236747601572
Energy: 2.2962135424012304
Energy: 2.6623674775854305
Energy: 2.748350599827901
Energy: 2.9540974058303813
Energy: 3.1342775767620963
Energy: 2.954097405826984
Energy: 2.840334395213924
Energy: 2.9881680825429155
Energy: 2.3331450178863253
Energy: 2.988168082542066
Energy: 2.397506116758972
Energy: 2.7165647365171752
Energy: 2.968114497205291
Energy: 2.716564736518874
Energy: 2.296754433620141
Energy: 2.3742870650776995
Energy: 2.1558420638284703
Energy: 2.3742870650776995
Energy: 2.6652274034011487
Energy: 2.8246794303284837
Energy: 2.339217036227851
Energy: 2.8246794224986163
Energy: 2.591531610103409
Energy: 2.9956088946857453
Energy: 2.551639826708402
Energy: 2.995608894688293
Energy: 2.8693978397770348
Energy: 2.912807985792856
Energy: 3.0304638756210283
Energy: 2.9128079857775684
Energy: 2.3909847510487765
Energy: 2.5892353119456644
Energy: 1.9795395384284145
Energy: 2.589235311894704
Energy: 1.9666094975309512
Energy: 2.773266740564675
Energy: 2.6568874564340184
Energy: 2.773266740531629
Energy: 2.247092204875868
Energy: 2.426058882766382
Energy: 2.921851793163761
Energy: 2.4260588827731
Energy: 2.7014228464441867
Energy: 2.920016300291509
Energy: 2.051998683695851
Energy: 2.920016309385406
Energy: 2.5253612950259527
Energy: 2.984290589299224
Energy: 3.141008753601494
Energy: 2.984290589299224
Energy: 2.5572135210742246
Energy: 2.5664991140505435
Energy: 2.6958398045823655
Energy: 2.5664991140395026
Energy: 2.546687175202576
Energy: 2.7784503641299643
Energy: 1.9677886554426989
Energy: 2.7784503641299643
Energy: 2.1148217057969965
Energy: 2.3112905923297884
Energy: 2.2511784955427108
Energy: 2.311290592170192
Energy: 2.821565388875446
Energy: 3.0967830970481636
Energy: 3.066059260246108
Energy: 3.096783097044766
Energy: 2.757546993575096
Energy: 2.7567895460856557
Energy: 2.1356837026728672
Energy: 2.756789534921178
Energy: 2.5004744584468948
Energy: 3.2518619221205305
Energy: 2.9871448955956916
Energy: 3.2518619221230782
Energy: 2.354973972319955
Energy: 2.3775579614520037
Energy: 2.4865707748574466
Energy: 2.3775579614545523
Energy: 2.6911141691116804
Energy: 2.8960222775864586
Energy: 2.127009101691379
Energy: 2.896022277538896
Energy: 2.765785135257081
Energy: 2.953133219451152
Energy: 2.525815882930576
Energy: 2.953133219451152

minimum gb energy = 1.8392209819067118 eV
minimum distance =  2.15065486476502 Angstroms
sigma value = 29


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

Energy: 1.2695394517911136
Energy: 1.818863076542239
Energy: 2.6933934994284994
Energy: 2.381449802804563
Energy: 2.348271511341353
Energy: 2.5105181725344807
Energy: 3.2032555481853398
Energy: 2.510518172531884
Energy: 2.590639996533126
Energy: 2.481557001448629
Energy: 2.551855195811131
Energy: 2.4815570023464186
Energy: 2.1676925873471133
Energy: 2.851926689444445
Energy: 2.711961563716363
Energy: 2.851926647823051
Energy: 2.2498690790488274
Energy: 2.5007263261856387
Energy: 1.9636917802807416
Energy: 2.500726324212815
Energy: 2.5849403859562363
Energy: 2.0395107349362878
Energy: 1.999383318386176
Energy: 2.0415686975464578
Energy: 2.9291806755042846
Energy: 2.7847654740758276
Energy: 2.619535543879704
Energy: 2.7847654740899954
Energy: 3.1075124511509062
Energy: 3.167184695591508
Energy: 2.5318897848358675
Energy: 3.1671846958658874
Energy: 2.32638031945491
Energy: 2.9706963052986417
Energy: 2.5745562824290458
Energy: 2.970696305268301

minimum gb energy = 1.2695394517911136 eV
minimum distance =  2.14315081891239 Angstroms
sigma value = 5


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

Energy: 1.739713999900696
Energy: 2.5953907117117567
Energy: 2.4515946605504118
Energy: 3.030437986075355
Energy: 2.570237565444955
Energy: 3.110044506656041
Energy: 2.62549263534613
Energy: 3.1100445066512274
Energy: 2.5842127566858677
Energy: 2.197090888570493
Energy: 2.0854823577394024
Energy: 2.1970908885696905
Energy: 1.8727135005701683
Energy: 2.5665645437750806
Energy: 2.6132375973745794
Energy: 2.5665645437750806
Energy: 2.484412323941778
Energy: 3.0393768575250055
Energy: 2.6208264087485595
Energy: 3.039376857544261
Energy: 2.4712959514368618
Energy: 2.7857532605519015
Energy: 2.6108888590168586
Energy: 2.785753260559925
Energy: 1.5201172923192299
Energy: 2.449257110662882
Energy: 2.640189028749095
Energy: 2.44925711066208
Energy: 2.5465059810622055
Energy: 2.3268653002484423
Energy: 2.1936774799018193
Energy: 2.3268653002516517
Energy: 2.6960992484859663
Energy: 2.5222022196795346
Energy: 2.5752188011455805
Energy: 2.522202219677127
Energy: 1.7419862642814605
Energy: 2.6850892069763366
Energy: 2.176554421752483
Energy: 2.6850892069755345
Energy: 2.7689786636877813
Energy: 2.6133888275191524
Energy: 1.7014640182369773
Energy: 2.6133888275215593
Energy: 2.5530953304727855
Energy: 2.383343223871115
Energy: 2.008127122331639
Energy: 2.383343223923993
Energy: 2.13608679362916
Energy: 2.595014330596037
Energy: 2.5844780404130687
Energy: 2.595014336604981
Energy: 2.507863535986957
Energy: 2.7197449139672507
Energy: 2.1732118424716713
Energy: 2.7197449139680527
Energy: 1.8322738922163875
Energy: 2.241301460863471
Energy: 2.34510094889389
Energy: 2.2413014608674824
Energy: 1.9940791769475508
Energy: 2.745830432455814
Energy: 2.7225363399652154
Energy: 2.745830432455814
Energy: 2.4354047915067265
Energy: 2.8268531916380226
Energy: 2.5316411993320957
Energy: 2.8268531912225816
Energy: 2.541845434050996
Energy: 2.6817128997164157
Energy: 2.9714400412370985
Energy: 2.6817128813432856
Energy: 2.059678374773307
Energy: 2.217405813784867
Energy: 2.368435189962167
Energy: 2.2174058137616006
Energy: 2.5893802240584303
Energy: 2.5739620758227697
Energy: 1.6087519820673317
Energy: 2.5739620758203627
Energy: 2.7411408251368226
Energy: 2.87297321504423
Energy: 2.567884293507179
Energy: 2.8729732150546603
Energy: 2.6436294581579536
Energy: 3.0055144098376836
Energy: 2.344585512082417
Energy: 3.0055144098930415
Energy: 2.7268693887659903
Energy: 2.7480659311683446
Energy: 1.987766670760608
Energy: 2.74806593116674
Energy: 2.2273643014587674
Energy: 2.374930431757
Energy: 2.1192620364488306
Energy: 2.3749304317586044
Energy: 2.355807269814941
Energy: 2.540211333268417
Energy: 2.4974976041034482
Energy: 2.540211333279649
Energy: 2.256235028469343
Energy: 2.776836604533124
Energy: 1.6417074852973699
Energy: 2.776836604524298
Energy: 1.8459446584001593
Energy: 2.569811175737644
Energy: 2.761003482108458
Energy: 2.569811175549178
Energy: 1.9897454162111412
Energy: 2.743936017727938
Energy: 2.78413452884284
Energy: 2.7439360177271355
Energy: 2.513380352120281
Energy: 3.051626536601914
Energy: 2.0927555576968055
Energy: 3.051626537852176
Energy: 2.3593231463852744
Energy: 2.9936348074009334
Energy: 2.497778647615434
Energy: 2.9936348074113632
Energy: 2.2872968446359185
Energy: 2.1301273750031484
Energy: 2.033147371569437
Energy: 2.1301273746494833
Energy: 2.4301743126524173
Energy: 2.5402561873458307
Energy: 2.0249498200772287
Energy: 2.540256192022679
Energy: 2.6813225160627625
Energy: 2.7429840244698123
Energy: 2.3680213404008086
Energy: 2.742984024493881

minimum gb energy = 1.5201172923192299 eV
minimum distance =  2.05253336209896 Angstroms
sigma value = 1


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

Energy: 1.8681117373912053
Energy: 2.406599158556672
Energy: 2.4282221597411544
Energy: 2.8528900874292495
Energy: 2.6347199709228666
Energy: 2.7417103673982752
Energy: 2.312893397199074
Energy: 2.741699264917063
Energy: 2.2780110975122803
Energy: 2.282670950260087
Energy: 2.0351064961162635
Energy: 2.2826709503310316
Energy: 1.7350113965639178
Energy: 2.7623849062367882
Energy: 2.4744462180021727
Energy: 2.7623849062378976
Energy: 2.420838700007473
Energy: 2.7847877931936678
Energy: 2.727438922609779
Energy: 2.7847877931992144
Energy: 2.0994754276463135
Energy: 2.959387002756873
Energy: 2.749374589004912
Energy: 2.9593870026826
Energy: 1.4066190097842703
Energy: 2.3081912415663677
Energy: 2.536233240915049
Energy: 2.308191241568586
Energy: 2.1904720321297395
Energy: 2.334093362143585
Energy: 2.0682267154484273
Energy: 2.3340933626558806
Energy: 2.6965864029379327
Energy: 2.55837612186221
Energy: 2.3938781609994733
Energy: 2.5583761219753085
Energy: 1.6008145910526177
Energy: 2.3101946876939685
Energy: 2.1733551503999213
Energy: 2.3101946847523043
Energy: 2.5608049961421444
Energy: 2.6721955040156353
Energy: 1.592598461535939
Energy: 2.672195504016744
Energy: 2.524555705754216
Energy: 2.397790129557009
Energy: 2.301604564933599
Energy: 2.397790129505981
Energy: 2.2516497433300833
Energy: 2.9205142413345793
Energy: 2.506609905754246
Energy: 2.920514241383389
Energy: 2.770162054568652
Energy: 2.4713757642314556
Energy: 2.1713704944861
Energy: 2.4713757642569694
Energy: 1.840791974789136
Energy: 2.185128047564251
Energy: 2.290923047608501
Energy: 2.1851280475853274
Energy: 2.101875320855478
Energy: 2.8330539988545818
Energy: 2.7642591484983177
Energy: 2.8330539976614784
Energy: 2.2250064269778274
Energy: 2.8862257960418316
Energy: 2.6612348843452573
Energy: 2.8862257959963507
Energy: 2.0260605479740947
Energy: 2.717853309405748
Energy: 2.6317834891535985
Energy: 2.7178533096508026
Energy: 1.5547281969222924
Energy: 2.3964550632681694
Energy: 2.375494407712709
Energy: 2.396455063270388
Energy: 2.3228060906790104
Energy: 2.5590449290480675
Energy: 2.3620753414106765
Energy: 2.5590449292199087
Energy: 2.36053125230913
Energy: 2.5204744767001
Energy: 2.719467788462206
Energy: 2.5204744768597385
Energy: 2.120057098041107
Energy: 2.3801756268890935
Energy: 2.0185208275422193
Energy: 2.380175626896859
Energy: 2.509951055389524
Energy: 2.5247840840753213
Energy: 1.7487579328177976
Energy: 2.5247840840753213
Energy: 2.2288588902898527
Energy: 2.5602126146959447
Energy: 2.3679720144843905
Energy: 2.560212614698163

minimum gb energy = 1.4066190097842703 eV
minimum distance =  2.09516323013771 Angstroms
sigma value = 17


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

Energy: 1.993331422817387
Energy: 2.529964990567182
Energy: 2.4082826973546934
Energy: 2.885100494827633
Energy: 2.7870556428769926
Energy: 2.8545621976708793
Energy: 2.3438986676036198
Energy: 2.854562197673622
Energy: 2.299399198900144
Energy: 2.2199951660378816
Energy: 1.9622693521813313
Energy: 2.2199951660193693
Energy: 1.9239820127710057
Energy: 2.612573598965778
Energy: 2.7515563589743466
Energy: 2.612573495390184
Energy: 2.6506213329269395
Energy: 2.918188661192479
Energy: 2.3442827732599705
Energy: 2.9181886611890513
Energy: 1.9163580264622095
Energy: 2.556151296816032
Energy: 2.7916529549317146
Energy: 2.556151296816032
Energy: 1.5539849414823734
Energy: 2.429825458267641
Energy: 2.7937832041172572
Energy: 2.429825458293695
Energy: 2.3369801661569367
Energy: 2.4720805221359523
Energy: 2.200731436802136
Energy: 2.4720805251602944
Energy: 2.6922877618110146
Energy: 2.5967019225046197
Energy: 2.8044081116696717
Energy: 2.5967019223888097
Energy: 1.474288288201856
Energy: 2.3655965257504157
Energy: 2.372409408774679
Energy: 2.3655965257490448
Energy: 2.332174993634216
Energy: 2.4034607519115254
Energy: 1.2991116568373406
Energy: 2.4034607519115254
Energy: 2.856810787835428
Energy: 2.9689335939845223
Energy: 2.4472108481346577
Energy: 2.9689335939900072
Energy: 2.6623710718205413
Energy: 2.7489459255850397
Energy: 2.2428717889100906
Energy: 2.7489459255597333
Energy: 2.9829211975644694
Energy: 2.5557829429112298
Energy: 1.606404532879757
Energy: 2.5557829429112298
Energy: 2.1702411794229075
Energy: 2.2929730860149014
Energy: 2.120076909623519
Energy: 2.2929730860190154
Energy: 2.4935595157355683
Energy: 3.1900246180809533
Energy: 2.488412635400306
Energy: 3.1900246180809533
Energy: 2.429193020692684
Energy: 2.771304425486044
Energy: 1.9723598016818669
Energy: 2.7713044255339763
Energy: 1.574454262538556
Energy: 2.4789857564140605
Energy: 2.6238031373264317
Energy: 2.4789857564140605
Energy: 1.9418555314385177
Energy: 2.7367472148842817
Energy: 2.814968664703913
Energy: 2.7367472148842817
Energy: 2.5249338730433903
Energy: 2.845163456715622
Energy: 2.0306630543855686
Energy: 2.845163456715622
Energy: 2.457472957003743
Energy: 2.9625192643300053
Energy: 2.6412511976292903
Energy: 2.9625192643210925
Energy: 1.949211339816677
Energy: 2.273905710720998
Energy: 2.31787095063381
Energy: 2.2739057107573375
Energy: 2.584890144091517
Energy: 2.5913937727651035
Energy: 2.1842979686509216
Energy: 2.5913937727568763
Energy: 2.277474540671617
Energy: 2.648134650897742
Energy: 2.6576676023895294
Energy: 2.648134702509393
Energy: 2.7367043396212822
Energy: 2.627343600250874
Energy: 1.9459543421686687
Energy: 2.6273436002686386
Energy: 2.9040037313676534
Energy: 2.4019163604906066
Energy: 1.799277265916424
Energy: 2.401916360488549
Energy: 2.0957639662569143
Energy: 2.7961163976354606
Energy: 2.439044130185553
Energy: 2.796116397719794
Energy: 2.7403860172983063
Energy: 2.904782536712094
Energy: 2.4681264537056373
Energy: 2.9047825367100373
Energy: 2.216663324544484
Energy: 2.0879677327678756
Energy: 1.8677573355473487
Energy: 2.0879677327678756
Energy: 1.3837640787543397
Energy: 2.5659600499673467
Energy: 2.750087953179005
Energy: 2.5659600499673467
Energy: 2.390910864148689
Energy: 3.0940308266350134
Energy: 2.7097061103898774
Energy: 3.09403082589141
Energy: 2.215173006159824
Energy: 2.5991125147254204
Energy: 2.6951354885185177
Energy: 2.599112514702795
Energy: 1.5956355602551555
Energy: 2.627354649035478
Energy: 2.910186942193762
Energy: 2.6273546490368496
Energy: 2.2752242407902896
Energy: 2.2328582441155835
Energy: 2.057891461335247
Energy: 2.2328582441183267
Energy: 2.580348702459473
Energy: 2.756415067218128
Energy: 2.5553597907873042
Energy: 2.756415067230407
Energy: 1.9288370062001738
Energy: 2.599938519053331
Energy: 2.2891287234837407
Energy: 2.5999385187819435
Energy: 2.578350594487946
Energy: 2.3500383658029746
Energy: 1.5437575455723112
Energy: 2.3500383658036603
Energy: 2.8442521663963
Energy: 2.9001838734238166
Energy: 2.1749074276994804
Energy: 2.900183873426559

minimum gb energy = 1.2991116568373406 eV
minimum distance =  2.18320570940669 Angstroms
sigma value = 89


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

Energy: 2.4314394511983766
Energy: 2.3398157733219063
Energy: 2.274833367423232
Energy: 2.6785541599673253
Energy: 2.5096180775155217
Energy: 2.3895554999092297
Energy: 2.4104204323544347
Energy: 2.3895554756116293
Energy: 2.026941021551026
Energy: 2.4283337005547345
Energy: 2.313885404114474
Energy: 2.4283337005547345
Energy: 1.2554669277876853
Energy: 2.89004656899224
Energy: 2.621640011830373
Energy: 2.8900465690030033
Energy: 2.0875249035621466
Energy: 2.465725358623856
Energy: 2.4773709736067517
Energy: 2.4657253586130925
Energy: 2.017505239601527
Energy: 2.684132207418818
Energy: 2.2800239525330563
Energy: 2.6841322074152303
Energy: 1.1871459729556348
Energy: 2.4022682689181574
Energy: 2.4781463506100985
Energy: 2.4022682689163637
Energy: 2.3948678987497063
Energy: 2.6026959102950853
Energy: 2.375418755123865
Energy: 2.602701886602237
Energy: 2.2595681149006417
Energy: 2.714624550517297
Energy: 2.439558398657882
Energy: 2.714624550519091
Energy: 1.8031053053459238
Energy: 2.3997112115787913
Energy: 2.5121962336989525
Energy: 2.3997112115537163
Energy: 2.4623665665891914
Energy: 2.433507796149312
Energy: 1.1704487046142011
Energy: 2.43350779674104
Energy: 2.275556619170262
Energy: 2.76398653915756
Energy: 1.913736265730076
Energy: 2.7639865380511646
Energy: 2.0608684442633782
Energy: 2.3276211288460313
Energy: 2.0130482578949715
Energy: 2.3276211288227096
Energy: 2.602020220875904
Energy: 2.622070147651735
Energy: 1.419757040305945
Energy: 2.622070147651735
Energy: 2.6332476261136084
Energy: 2.350551997053457
Energy: 2.0331209739252127
Energy: 2.350552494392411

minimum gb energy = 1.1704487046142011 eV
minimum distance =  2.1438043045138 Angstroms
sigma value = 13


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

Energy: 2.159345467539794
Energy: 2.7943611829803423
Energy: 2.215216521607738
Energy: 2.6416859270479414
Energy: 2.708085912549469
Energy: 3.010796517329049
Energy: 1.8983238508457556
Energy: 3.0107965173260416
Energy: 2.387234643763361
Energy: 2.133450775032493
Energy: 1.6743808481611997
Energy: 2.1334507750294853
Energy: 1.8650603922266173
Energy: 2.6349538172718585
Energy: 2.4279828621856794
Energy: 2.6349538172726104
Energy: 2.35884936064303
Energy: 2.7039106942926225
Energy: 2.1499991098465965
Energy: 2.7039106942881115
Energy: 2.0151555746568173
Energy: 2.568362474463225
Energy: 2.268713284924461
Energy: 2.568362474460969
Energy: 1.8474099904541863
Energy: 2.705271193877065
Energy: 2.70244423317015
Energy: 2.70527119388226
Energy: 2.1273538933690888
Energy: 2.65465036760036
Energy: 2.2166880336594232
Energy: 2.654650367412516
Energy: 1.9434764079146458
Energy: 2.5935880019148376
Energy: 2.888038359745842
Energy: 2.59358800200876
Energy: 1.3634125874233411
Energy: 2.599342561921585
Energy: 2.703933119303212
Energy: 2.599342561917825
Energy: 2.516446645592098
Energy: 2.6441523048728155
Energy: 1.9206911814125225
Energy: 2.6441523174033272
Energy: 2.2366614344231457
Energy: 2.970395399818621
Energy: 2.5567950769347654
Energy: 2.970395399817117
Energy: 2.1300022405600827
Energy: 2.2958146858372164
Energy: 2.33019953705188
Energy: 2.295814685836464
Energy: 2.63761399340976
Energy: 2.803111915723468
Energy: 1.5939715888863297
Energy: 2.803111915721212
Energy: 2.5896438420246417
Energy: 2.6186260941158763
Energy: 2.1896996301016975
Energy: 2.6186260941068533
Energy: 2.607770579645256
Energy: 2.1706784549908718
Energy: 2.083694889616724
Energy: 2.1706784551059157
Energy: 2.629785208216285
Energy: 2.359046351121448
Energy: 1.4819745579974077
Energy: 2.3590463510109845
Energy: 2.2713667444452095
Energy: 2.474590838574829
Energy: 2.2038529524068764
Energy: 2.4745908398420235
Energy: 2.8122412038682443
Energy: 2.7034449612791813
Energy: 2.123954876432782
Energy: 2.7034449612776785
Energy: 2.489027730619821
Energy: 2.2154455339272907
Energy: 1.4065406505520142
Energy: 2.215445533928795
Energy: 1.7681806766901107
Energy: 2.3777420694631224
Energy: 2.4149460356177497
Energy: 2.377742069405224
Energy: 2.4351061505345
Energy: 2.949564628113901
Energy: 2.2411518307621714
Energy: 2.949564628119916
Energy: 2.082171226353581
Energy: 2.290407890363167
Energy: 1.927594700079665
Energy: 2.290407890365423
Energy: 1.538080886055896
Energy: 2.652179226018194
Energy: 2.797580941887566
Energy: 2.65217922601669
Energy: 2.106396119467302
Energy: 2.4830394981749824
Energy: 2.564512006190279
Energy: 2.4830394981727264
Energy: 1.988253001844913
Energy: 2.643537585435766
Energy: 2.666050926922453
Energy: 2.64353758543727
Energy: 1.4510444398512088
Energy: 2.4935093744685832
Energy: 2.9438521069611645
Energy: 2.493509374394143
Energy: 2.060760465681764
Energy: 2.4242702146116564
Energy: 2.041267313837557
Energy: 2.424270214073554
Energy: 2.2068658792260503
Energy: 2.808231686909017
Energy: 2.7853958302618476
Energy: 2.808231686909017
Energy: 1.544032332042861
Energy: 2.594963806839038
Energy: 2.381000695869372
Energy: 2.594963806840542
Energy: 2.2692620262728553
Energy: 2.6209421864678957
Energy: 1.5893126457064057
Energy: 2.620942186795597
Energy: 2.6959199394316804
Energy: 2.72635837621507
Energy: 2.2134839845967775
Energy: 2.7263583762120622
Energy: 2.5028170000402854
Energy: 2.200901888414272
Energy: 2.1195666719287316
Energy: 2.200901888402241
Energy: 2.829742268244811
Energy: 2.4451905762533097
Energy: 1.3110012653551841
Energy: 2.4451905762593253
Energy: 2.699486495186665
Energy: 2.2719962412918138
Energy: 2.3218734631953324
Energy: 2.2719962412993326

minimum gb energy = 1.3110012653551841 eV
minimum distance =  2.16607597073187 Angstroms
sigma value = 37


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

Energy: 1.6229691051608428
Energy: 2.1399040848790247
Energy: 2.4148674743392156
Energy: 2.5554381225330225
Energy: 2.5699624978853244
Energy: 2.8400447334437864
Energy: 1.9379026742866812
Energy: 2.840044733442493
Energy: 2.2315381048780822
Energy: 2.1435132722685246
Energy: 1.7290476095276714
Energy: 2.1435132722685246
Energy: 1.8033700160237542
Energy: 2.683930276998187
Energy: 2.2086505668649035
Energy: 2.6839302769930127
Energy: 2.4154912769763195
Energy: 2.582122637638472
Energy: 1.7131541768092198
Energy: 2.582122637638472
Energy: 2.1627494705762573
Energy: 2.2798760013850923
Energy: 2.4510843686230106
Energy: 2.2798760014174047
Energy: 1.6772566183527589
Energy: 2.4503165367570783
Energy: 2.8614632324992106
Energy: 2.4503165368553668
Energy: 2.1548097020736496
Energy: 2.4266564464020197
Energy: 2.1911183166684096
Energy: 2.4266564485886217
Energy: 1.8653387624993856
Energy: 2.1961734642553385
Energy: 2.580242961266376
Energy: 2.1961734687332704
Energy: 1.6876278544822056
Energy: 2.554260598087793
Energy: 2.81727147489467
Energy: 2.5542605980942614
Energy: 2.414796389737398
Energy: 2.5554381225071494
Energy: 1.6229691051673112
Energy: 2.1399188677347114
Energy: 1.9379026658906768
Energy: 2.840044733442493
Energy: 2.569962497820671
Energy: 2.840044733442493
Energy: 1.7290476094177696
Energy: 2.1435132722698182
Energy: 2.2315381048806695
Energy: 2.143513272271112
Energy: 2.2086505668649035
Energy: 2.6839302769994813
Energy: 1.8033700160845267
Energy: 2.6839302770085367
Energy: 1.7131541721295367
Energy: 2.582122637637178
Energy: 2.415491276977613
Energy: 2.582122637638472
Energy: 2.4510843686268915
Energy: 2.2798760013993227
Energy: 2.1627494701844556
Energy: 2.2798760013553383
Energy: 2.861463232501798
Energy: 2.450316536801063
Energy: 1.6772566183540527
Energy: 2.450316536766134
Energy: 2.1911183166658224
Energy: 2.426656423200239
Energy: 2.1548097020749433
Energy: 2.4266564223817366
Energy: 2.5802429612650823
Energy: 2.1961734746374875
Energy: 1.8653387624993856
Energy: 2.1961734707530796
Energy: 2.81727147489467
Energy: 2.554260598078737
Energy: 1.6876278544809122
Energy: 2.554260598083912

minimum gb energy = 1.6229691051608428 eV
minimum distance =  2.2271958991238 Angstroms
sigma value = 25


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

Energy: 2.2229942952507526
Energy: 2.150066843854859
Energy: 2.12002063437812
Energy: 2.273614789465704
Energy: 2.6779882997971285
Energy: 2.5310484059454454
Energy: 1.5808327585181634
Energy: 2.5310484062887673
Energy: 2.754713212546031
Energy: 2.0290980909137506
Energy: 1.9428261479689037
Energy: 2.0290980894637816
Energy: 1.8825326386960823
Energy: 2.33880689899387
Energy: 2.333860243515669
Energy: 2.3388068989948807
Energy: 2.3366597579628956
Energy: 2.4226918968132036
Energy: 1.9263159235385958
Energy: 2.422691896815224
Energy: 2.291234886090766
Energy: 2.09917776018391
Energy: 2.465839657406526
Energy: 2.09917776018391
Energy: 1.9618629022835654
Energy: 2.3697966160375867
Energy: 2.4062075743330733
Energy: 2.369796616038597
Energy: 2.2114153078717
Energy: 2.246461158303373
Energy: 1.9455836629415577
Energy: 2.246461158302363
Energy: 1.8157429332327437
Energy: 1.962623041617338
Energy: 2.699583148818453
Energy: 1.9626230416092567
Energy: 1.5501150807159654
Energy: 2.59894478291871
Energy: 2.984106957379716
Energy: 2.59894478291972
Energy: 2.3927478228846697
Energy: 2.2197794659006944
Energy: 1.9417255563612978
Energy: 2.21977947135826
Energy: 1.340211898573972
Energy: 2.5829125290604087
Energy: 2.9010234457833857
Energy: 2.582912529059399
Energy: 1.612614712828173
Energy: 2.0129379537619476
Energy: 2.9268008907014273
Energy: 2.0129379537124947
Energy: 2.0386393989684892
Energy: 2.161080720869545
Energy: 2.039776506324883
Energy: 2.1610807208634837
Energy: 1.6025713490089286
Energy: 2.3968528216740186
Energy: 2.60141890342342
Energy: 2.3968528216740186
Energy: 2.110053628612478
Energy: 2.1850502924790076
Energy: 2.817925660654483
Energy: 2.1850502924779973
Energy: 2.1106307753996343
Energy: 2.2739185822072088
Energy: 2.313420771213149
Energy: 2.2739185822092294
Energy: 1.5547819906843656
Energy: 2.4611742246033437
Energy: 2.719595332890144
Energy: 2.461174224604354
Energy: 2.4559481318952017
Energy: 2.1330782616934814
Energy: 1.8304798029645704
Energy: 2.1330782616924715
Energy: 2.2828792786706202
Energy: 2.5134807446560323
Energy: 1.9715950821026276
Energy: 2.5134806758774855
Energy: 1.9396523202654725
Energy: 2.408414099755068
Energy: 2.3502061343680305
Energy: 2.408414099764159
Energy: 2.556171747511953
Energy: 2.489891625909691
Energy: 1.6075212195558044
Energy: 2.4898916259137316
Energy: 2.7274139065734437
Energy: 2.1476629493361883
Energy: 1.8640987980503216
Energy: 2.147662948681916
Energy: 2.1746699021877225
Energy: 2.0376919511952534
Energy: 1.877947312513615
Energy: 2.0376919509529032
Energy: 2.831499848420742
Energy: 2.2641454832399046
Energy: 1.3920254514863508
Energy: 2.2641454832399046
Energy: 2.620004371856027
Energy: 1.892931008295507
Energy: 1.836895340063732
Energy: 1.8929310081278634

minimum gb energy = 1.340211898573972 eV
minimum distance =  2.2397154620012 Angstroms
sigma value = 41


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

Energy: 2.3696716802171043
Energy: 2.2360184424057112
Energy: 2.3498476682354896
Energy: 2.184639576714271
Energy: 2.5921916963837743
Energy: 2.2286997576117913
Energy: 1.3689220284533161
Energy: 2.22869975759854
Energy: 2.492645965030132
Energy: 1.7436599965423372
Energy: 1.6791294533111238
Energy: 1.743659997372624
Energy: 1.8545311895133587
Energy: 2.050200658240087
Energy: 2.229034895712936
Energy: 2.0502006582442283
Energy: 2.5339690380964086
Energy: 2.3248592593028157
Energy: 1.6623457337305132
Energy: 2.3248592591206916
Energy: 2.290846200887746
Energy: 1.9794722443829498
Energy: 2.1903572211930356
Energy: 1.9794722445153832
Energy: 1.898355076123191
Energy: 2.3995085971658936
Energy: 2.276968149377272
Energy: 2.3995085971443606
Energy: 2.3880406080518988
Energy: 2.19251392719725
Energy: 1.5347022514991147
Energy: 2.192513927191453
Energy: 1.658267391969331
Energy: 1.822616883101375
Energy: 2.4599255205362827
Energy: 1.8226168830955776
Energy: 1.6883414509615653
Energy: 2.327124989866107
Energy: 2.6222247658283333
Energy: 2.3271249898941897
Energy: 1.8639016388654248
Energy: 2.335906019866196
Energy: 2.1099270685142857
Energy: 2.335906019867024
Energy: 1.3272846640096725
Energy: 2.215184331357922
Energy: 2.5584601696615703
Energy: 2.215184331337218
Energy: 1.679481047144387
Energy: 2.049414505332404
Energy: 2.7202750842709613
Energy: 2.0494145053887203
Energy: 1.8635891093017316
Energy: 2.105482903917435
Energy: 2.2461548469555424
Energy: 2.1054829039166068
Energy: 1.1345356400728825
Energy: 2.3539659856847543
Energy: 2.640282260098594
Energy: 2.3539659856855826
Energy: 1.7589336998551026
Energy: 1.607147567060694
Energy: 2.514767270671631
Energy: 1.6071475676384614
Energy: 1.7245386922410726
Energy: 2.0530565507057226
Energy: 2.494259212629035
Energy: 2.0530565506866743
Energy: 1.1332812778798484
Energy: 2.0525581130364148
Energy: 2.647417855021762
Energy: 2.052558123817039
Energy: 1.9383989034612221
Energy: 2.1597404244301472
Energy: 2.2249619611506657
Energy: 2.1597404244318037
Energy: 1.9056761172287444
Energy: 2.0133111698995716
Energy: 2.100214494081359
Energy: 2.0133111700311765
Energy: 1.612195935533776
Energy: 2.2136895806918973
Energy: 2.3480406104468234
Energy: 2.2136895806885843
Energy: 2.220994246421529
Energy: 2.133988403129273
Energy: 1.8866723090201067
Energy: 2.1339884030009055
Energy: 2.190926045545547
Energy: 2.1954854279912563
Energy: 2.034304419121658
Energy: 2.1954854279970535
Energy: 1.7633691543024999
Energy: 2.2647674453826965
Energy: 2.2169482192576577
Energy: 2.2647674453818687
Energy: 2.2532565381104823
Energy: 2.3106214451463583
Energy: 1.2642417672666006
Energy: 2.3106214451480143
Energy: 2.34247013598256
Energy: 2.121847139870782
Energy: 1.933194381702527
Energy: 2.1218471399767136
Energy: 2.222570131887879
Energy: 1.9345934432894007
Energy: 1.984023255131268
Energy: 1.9345934432910574
Energy: 2.9539063704985518
Energy: 2.2162487291908377
Energy: 1.186584769057042
Energy: 2.2162487291924937
Energy: 2.426856315991954
Energy: 2.1114709971329986
Energy: 1.8183325934067172
Energy: 2.111470997129686
Energy: 2.4224556446554186
Energy: 1.994468508209634
Energy: 1.8222581603879238
Energy: 1.994468508209634
Energy: 2.8248046623606475
Energy: 2.046939637337638
Energy: 0.976683487956557
Energy: 2.0469396638507913
Energy: 2.3665687467478618
Energy: 2.096204686298628
Energy: 1.7778303900520067
Energy: 2.0962046863002843

minimum gb energy = 0.976683487956557 eV
minimum distance =  2.22706697702256 Angstroms
sigma value = 15


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

Energy: 2.031654322059303
Energy: 2.018380766646662
Energy: 2.233914904042154
Energy: 2.3077551677894674
Energy: 2.6282633010298926
Energy: 1.56355323798101
Energy: 1.4810833300160864
Energy: 1.5634777352750606
Energy: 2.55824382375426
Energy: 1.6212716309169588
Energy: 1.7086899104582642
Energy: 1.621271630893105
Energy: 2.0279630514708833
Energy: 2.05362719201767
Energy: 1.9114517812726888
Energy: 2.0536271920008318
Energy: 2.7432354113201476
Energy: 2.2053008527547933
Energy: 1.4506603728533154
Energy: 2.205300852676216
Energy: 2.4403760235527536
Energy: 1.8464989796991598
Energy: 2.100233110982451
Energy: 1.846498979699861
Energy: 1.8459366928932661
Energy: 2.3798519091276904
Energy: 1.957804489312452
Energy: 2.3798519091283916
Energy: 2.6115902012735557
Energy: 2.2632082813795833
Energy: 1.3942057206623506
Energy: 2.263208281376777
Energy: 1.9833025504280095
Energy: 1.9367734702910457
Energy: 2.249673426940989
Energy: 1.9367734702924486
Energy: 1.8020207567097641
Energy: 2.0395282951883686
Energy: 2.262925515685453
Energy: 2.0395282951967877
Energy: 2.072083729588932
Energy: 2.2298560474809213
Energy: 1.862636579353214
Energy: 2.2298560479557024
Energy: 1.346422885132192
Energy: 2.048365776442743
Energy: 2.707106073370404
Energy: 2.048365776124351
Energy: 1.9440094109065256
Energy: 2.011290598722585
Energy: 2.3246588156096326
Energy: 2.0112905987443344
Energy: 1.9279559395310737
Energy: 2.014632578098742
Energy: 1.9909971418968886
Energy: 2.0146325780980403
Energy: 1.20824698810793
Energy: 2.314645266443547
Energy: 2.704735182299918
Energy: 2.314645266444248
Energy: 1.9036303747327648
Energy: 1.9073445395568995
Energy: 2.5140453955643576
Energy: 1.9073445395632138
Energy: 1.7123099914994744
Energy: 1.7831607915938492
Energy: 2.4298210502241284
Energy: 1.783160801123458
Energy: 0.900731682992347
Energy: 1.3061272293949244
Energy: 2.8091573457955117
Energy: 1.205957029826668
Energy: 1.7049527438462344
Energy: 1.7990825562516954
Energy: 2.425567752414059
Energy: 1.7990825571465334
Energy: 1.6659196422169533
Energy: 1.8574515577937973
Energy: 2.6976764184579456
Energy: 1.8574515577923945
Energy: 1.1006978630362603
Energy: 2.2432555121092426
Energy: 2.7394906912985872
Energy: 2.2432555121078392
Energy: 1.992678533486345
Energy: 2.0007848417782284
Energy: 2.1881731397928426
Energy: 2.000784841829444
Energy: 1.7479440905477892
Energy: 1.9195069994249079
Energy: 2.3120874704088026
Energy: 1.919506999392635
Energy: 1.45235561725177
Energy: 2.293287045657225
Energy: 2.5901846447904524
Energy: 2.293287045657927
Energy: 2.139897156573865
Energy: 2.0613052100413274
Energy: 1.5724850751414445
Energy: 2.0613052127278815
Energy: 1.9329707729168935
Energy: 2.3622525047449505
Energy: 2.5138990928149343
Energy: 2.362252504746354
Energy: 1.6277199057802012
Energy: 2.098180752679651
Energy: 2.3121670702671517
Energy: 2.098180752650185
Energy: 2.3630760803310635
Energy: 2.4063126595962885
Energy: 1.7134037991155413
Energy: 2.406312659589975
Energy: 2.0429809984370473
Energy: 2.0708012250367385
Energy: 1.9926506411633251
Energy: 2.070801225033932
Energy: 2.1927100036315026
Energy: 1.8416958060997315
Energy: 2.0670162239656977
Energy: 1.8416958061004334
Energy: 2.8727810666559144
Energy: 2.144504592310479
Energy: 1.2496751724387625
Energy: 2.1445045923238086
Energy: 1.964283306650094
Energy: 2.1214114903278674
Energy: 1.9296970241615587
Energy: 2.1214114903271653
Energy: 2.3997941675163044
Energy: 1.642851704405775
Energy: 1.7794271353911204
Energy: 1.6428517044071782
Energy: 2.895555975567056
Energy: 2.1304900262280464
Energy: 1.4177595308529978
Energy: 2.130490026226643
Energy: 2.2576775230369788
Energy: 1.9965729228563593
Energy: 1.7394959235337875
Energy: 1.996572922853553
Energy: 2.5106440633239093
Energy: 1.2809118396065595
Energy: 1.3239471875784445
Energy: 1.2809118364746903
Energy: 2.4706404906624835
Energy: 2.477496936827788
Energy: 1.5142202357336718
Energy: 2.477496936831296

minimum gb energy = 0.900731682992347 eV
minimum distance =  2.23884003398215 Angstroms
sigma value = 85


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

Energy: 2.1839296714257705
Energy: 2.0794895093092607
Energy: 2.0609369491422647
Energy: 1.982657314745124
Energy: 2.7896058073529453
Energy: 1.708000490459207
Energy: 1.3905605940359484
Energy: 1.7080007215831359
Energy: 2.3328066653192683
Energy: 1.5115134705776423
Energy: 1.6218562985568827
Energy: 1.5115134598712443
Energy: 2.040487751085071
Energy: 1.9504717107249483
Energy: 1.8215190757417155
Energy: 1.9504717107255567
Energy: 2.4291925389055757
Energy: 2.0722368699056313
Energy: 1.2648068727292197
Energy: 2.072236869906848
Energy: 2.139482538076463
Energy: 1.8222746356759745
Energy: 1.897791505094873
Energy: 1.822274635676583
Energy: 2.0089514664295702
Energy: 2.088617101321125
Energy: 1.8693956938118208
Energy: 2.0886171013174737
Energy: 2.5224419631449098
Energy: 2.055801342099485
Energy: 1.4866828703094164
Energy: 2.0558013421000934
Energy: 2.0678080947198443
Energy: 2.0346963495037023
Energy: 2.0386759987275487
Energy: 2.0346963544460626
Energy: 1.9692647279356474
Energy: 2.0509119766453083
Energy: 2.0100600285643
Energy: 2.0509119766446995
Energy: 2.120373531889489
Energy: 2.164114761132663
Energy: 1.646769332321149
Energy: 2.1641147615298375
Energy: 1.7017357933236064
Energy: 2.0154302269889066
Energy: 2.246080237595943
Energy: 2.0154302269889066
Energy: 1.9173470566667916
Energy: 1.8447639244966147
Energy: 2.1387159350900022
Energy: 1.8447639244972232
Energy: 1.9199449711519585
Energy: 1.9165924015221418
Energy: 1.8758876370679898
Energy: 1.9165924015130147
Energy: 1.1433498595661549
Energy: 2.2994575275436735
Energy: 2.4219059840287147
Energy: 2.2994575275430646
Energy: 1.7100292086645414
Energy: 1.8952083899163599
Energy: 2.2944322831078927
Energy: 1.8952083899181853
Energy: 1.7788651958548154
Energy: 1.7165189300515504
Energy: 2.2530633758936958
Energy: 1.7165189300533756
Energy: 0.9751217291617992
Energy: 2.119414164428273
Energy: 2.711326228030634
Energy: 2.119414164430707
Energy: 1.559755741751907
Energy: 1.905040409563223
Energy: 2.6398070777452656
Energy: 1.905040409554704
Energy: 1.60217816638059
Energy: 1.9876487209448412
Energy: 2.6202896300094
Energy: 1.9876487209472753
Energy: 0.8641760530933851
Energy: 2.0756560439660605
Energy: 2.778653190151343
Energy: 2.075656043947198
Energy: 1.7382506434118317
Energy: 1.8033941739084904
Energy: 2.265337895169814
Energy: 1.8033941724317257
Energy: 1.5701192583428916
Energy: 1.6499494555473986
Energy: 2.6329679087441376
Energy: 1.649949453557322
Energy: 1.3401414742313211
Energy: 2.1775057791759167
Energy: 2.554247338724995
Energy: 2.1775057791759167
Energy: 1.7736486467034935
Energy: 2.054630924072901
Energy: 1.8461977979648856
Energy: 2.05463092408142
Energy: 1.6382981778885504
Energy: 1.8855466040197908
Energy: 2.5403817443288
Energy: 1.8855466040234417
Energy: 1.5748615297658688
Energy: 1.890146322468654
Energy: 2.3508783814897325
Energy: 1.8901463224789983
Energy: 2.006761612577707
Energy: 2.1135628521092924
Energy: 1.8981263947738682
Energy: 2.1135628521044243
Energy: 1.7049951269863992
Energy: 2.1497176950452337
Energy: 2.3523641233853576
Energy: 2.1497176950452337
Energy: 2.093637041252148
Energy: 1.7345681861712738
Energy: 2.1593567517233185
Energy: 1.7345681862023064
Energy: 1.997796315261215
Energy: 2.1216589267895176
Energy: 1.623052097385951
Energy: 2.1216589267883004
Energy: 1.7200713175943703
Energy: 2.116398280181091
Energy: 2.092009016672779
Energy: 2.116398280182308
Energy: 2.2636831626833485
Energy: 1.9169381017729314
Energy: 1.9802501688782381
Energy: 1.9169381019505258
Energy: 2.3024298186104453
Energy: 2.11588061481416
Energy: 1.6032228235199941
Energy: 2.11588061481416
Energy: 1.6562051804796298
Energy: 2.078753583046951
Energy: 2.219059921939908
Energy: 2.078753584821735
Energy: 2.381802271208398
Energy: 2.121720968721042
Energy: 1.6087310017124261
Energy: 2.1217209687100893
Energy: 2.3759180266281796
Energy: 2.159006344552736
Energy: 1.6886307678895784
Energy: 2.1590063445533447
Energy: 2.067927236242274
Energy: 1.90423311114284
Energy: 1.7953071761014203
Energy: 1.904233111139189
Energy: 2.6359414448501104
Energy: 2.0591402271380748
Energy: 1.2227945353492957
Energy: 2.059140227083339
Energy: 2.5600245310293985
Energy: 1.583399441222203
Energy: 1.5805741195634726
Energy: 1.5833994412325472
Energy: 2.233398061793534
Energy: 1.7812144348837633
Energy: 1.6345486255069057
Energy: 1.7812144346982586
Energy: 2.6867893119604718
Energy: 2.0308410132214116
Energy: 0.9630606396147605
Energy: 2.0308410132208032
Energy: 2.5144527922858733
Energy: 1.6555309971566683
Energy: 1.5871745795238765
Energy: 1.6555309971633616

minimum gb energy = 0.8641760530933851 eV
minimum distance =  2.23268855656372 Angstroms
sigma value = 113


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

Energy: 0.020482218041708876
Energy: 2.2217947354053624
Energy: 1.9816876466023081
Energy: 2.1042275849519316
Energy: 0.02314241369403894
Energy: 0.7948347988550004
Energy: 1.1408580139239273
Energy: 0.7948347988116016
Energy: 0.021047031763419932
Energy: 0.7956286580040425
Energy: 1.3772081520502448
Energy: 0.7956286580045103
Energy: 0.023114220526185333
Energy: 1.1530513672303042
Energy: 1.3113199420129202
Energy: 1.1530519361140992
Energy: 3.1098230953587023
Energy: 1.8482208788239587
Energy: 1.4344780789657048
Energy: 1.848220879399993
Energy: 0.02114773104032543
Energy: 1.3087776446419828
Energy: 1.2451464338506935
Energy: 1.308777636140393

minimum gb energy = 0.020482218041708876 eV
minimum distance =  2.38589164776103 Angstroms
sigma value = 1