Model name: model_name=MEAM_LAMMPS_LeeJang_2007_FeH__MO_095610951957_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.567322999238968
cohesive_energy=4.225801906650114
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 3.1107861525744e-19, 3.7156078319094e-19, 4.17195580257162e-19, 4.55479590926592e-19, 4.8827134009467e-19, 5.16706770994902e-19, 5.4154371317517e-19, 5.63323702337766e-19, 5.8244728264119e-19, 5.9922207199917e-19, 6.138932034367079e-19, 6.2665934685642e-19, 6.376839242749739e-19, 6.471047228828939e-19, 6.550387015744619e-19, 6.61588399654254e-19, 6.668387324838719e-19, 6.70866604541748e-19, 6.737425115997779e-19, 6.7552573419342e-19, 6.7627074632823e-19, 6.762723485048639e-19, 6.769949301667979e-19, 6.75839760813684e-19, 6.725937509532e-19, 6.6767667086345385e-19, 6.610212291258179e-19, 6.523101947667599e-19, 6.41162249747388e-19, 6.27111160667208e-19, 6.09594563527686e-19, 5.879203180229339e-19, 5.61237668360298e-19, 5.284939844912399e-19, 4.8836747069271e-19, 4.39203078501786e-19, 3.78887536938222e-19, 3.04714769667192e-19, 2.1316799897706597e-19, 9.96319948559436e-20, -4.2045600970735195e-20, -2.2017271522091395e-19, -4.46191772979294e-19, -7.361280653744699e-19, -1.1129696227510739e-18, -1.6105079524967998e-18, -2.27999348078004e-18, -3.20180580715194e-18, -4.50773998152534e-18, -6.42517691179752e-18, -9.373085787759479e-18, -1.419188836277592e-17, -2.2771896716705398e-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: 0.01673737806192359
Energy: -0.4383835192082589
Energy: 0.581434960175814
Energy: 0.1284743811589991
Energy: -0.4383835192391038
Energy: 0.6907678641835349
Energy: 0.1284743811589991
Energy: 0.6907678488627611
Energy: 0.5814349601739535
Energy: 0.1284743811589991
Energy: 0.01673737806192359
Energy: -0.4383835192598937
Energy: 0.1284743811589991
Energy: 0.6907678531553245
Energy: -0.4383835192554924
Energy: 0.6907678659411237

minimum gb energy = -0.4383835192598937 eV
minimum distance =  2.49191082154249 Angstroms
sigma value = 1


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

Energy: 1.6027956833617938
Energy: 0.46496851374221393
Energy: 0.3063810464279186
Energy: 0.38636778172738506
Energy: 0.8586209102309337
Energy: 0.33629066515508754
Energy: 0.29319315106443156
Energy: 0.3363031037516202
Energy: 0.3040201353851013
Energy: 0.31329251429501404
Energy: 0.4661157708124084
Energy: 0.31329251429267063
Energy: 0.3296092626656842
Energy: 0.32685819783507214
Energy: 0.3058142388864053
Energy: 0.32685819547941763
Energy: 0.4709381031887623
Energy: 0.3760022274272054
Energy: 0.8429008084658313
Energy: 0.37600222374338843
Energy: 0.3977204581482121
Energy: 0.4244372168078727
Energy: 0.30669944700807383
Energy: 0.4244372173122804
Energy: 0.909535163996695
Energy: 1.0343928214932427
Energy: 0.443301401016424
Energy: 1.0343928214916802
Energy: 0.8810558324951295
Energy: 0.45475720029233563
Energy: 0.3789819305190517
Energy: 0.4547572041830855
Energy: 1.217834785244876
Energy: 1.0685346253782548
Energy: 0.9163112029564254
Energy: 1.0685346253782548
Energy: 0.9103765177096788
Energy: 1.0573401498627146
Energy: 0.8816792512842367
Energy: 1.0573401534677067
Energy: 0.8758877915530413
Energy: 1.0638354106542094
Energy: 1.0618208838291447
Energy: 1.0638354106526469
Energy: 0.8840411955666024
Energy: 1.0454360392857216
Energy: 0.37132815069733127
Energy: 1.0454360393715767
Energy: 1.0405304591235842
Energy: 0.42235144198388036
Energy: 0.4244318580928951
Energy: 0.42235144198231805
Energy: 0.382376877145762
Energy: 0.41915111491979784
Energy: 0.8772039060569402
Energy: 0.41915111492214124
Energy: 0.44334006712517454
Energy: 0.3273695705228403
Energy: 0.8673241008636966
Energy: 0.3273695705228403
Energy: 0.33932672070466147
Energy: 0.32113224993111916
Energy: 0.3131324266265747
Energy: 0.3211322499233077
Energy: 0.31009164068968653
Energy: 0.3136163323203802
Energy: 0.43513168774762356
Energy: 0.3136163646611334
Energy: 0.3602044883313139
Energy: 0.3219500630337955
Energy: 0.8672292003971602
Energy: 0.3219500631313678
Energy: 0.4684750391466713
Energy: 0.2989558308405707
Energy: 0.28565586722363034
Energy: 0.2989558308226753
Energy: 0.4611931711349464
Energy: 0.36668992646221255
Energy: 0.34318861258911687
Energy: 0.36668992640128306
Energy: 0.2670038928562164
Energy: 0.3281507699406899
Energy: 0.7936481009565804
Energy: 0.32815076198428433
Energy: 0.32800754966038415
Energy: 0.3393520432276354
Energy: 0.3820861432904815
Energy: 0.339351951656999
Energy: 0.43510790616064915
Energy: 0.4185040458429785
Energy: 0.8991327886624655
Energy: 0.41850404584454093
Energy: 0.3843397931463697
Energy: 0.4153980219131743
Energy: 0.8849247801811557
Energy: 0.4153980219756661
Energy: 0.9262533421563037
Energy: 1.0700537540122737
Energy: 1.2343046605159456
Energy: 1.0700537540122737
Energy: 0.8909862764325264
Energy: 1.0467988323384658
Energy: 0.9078608168313911
Energy: 1.0467988323369037
Energy: 1.2664765505551807
Energy: 1.0695944736542735
Energy: 0.8768738847166706
Energy: 1.0695944736558358
Energy: 0.3753562500187164
Energy: 1.0512801247563563
Energy: 0.8838913027903054
Energy: 1.0512801247563563
Energy: 0.42154733600748806
Energy: 0.41313069910120087
Energy: 1.0231532813805593
Energy: 0.4131306991004197
Energy: 0.8698003008004117
Energy: 0.4145103667871437
Energy: 0.9049508897634562
Energy: 0.4145103667871437
Energy: 0.8617368537725091
Energy: 0.31437257317417405
Energy: 0.4399831870918646
Energy: 0.31437257320073303
Energy: 0.28904323175293106
Energy: 0.3180867741662569
Energy: 0.3428795426039949
Energy: 0.31808677418031756
Energy: 0.4159472003719329
Energy: 0.2980734659440397
Energy: 0.2909640258914612
Energy: 0.29807346416380626

minimum gb energy = 0.2670038928562164 eV
minimum distance =  2.22624363087191 Angstroms
sigma value = 1


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

Energy: 1.4436108867118043
Energy: 0.3856166923413875
Energy: 0.46212190764119937
Energy: 0.5231161097662717
Energy: 0.5620215352122815
Energy: 0.8842113450056903
Energy: 0.5113898038635334
Energy: 0.8842113450039091
Energy: 0.4618406035877392
Energy: 0.4520660194412929
Energy: 1.676818090748002
Energy: 0.4520660194439648
Energy: 0.47317615781382727
Energy: 0.4706940629156335
Energy: 0.4757482848882225
Energy: 0.47069406410767994
Energy: 0.5950237284926568
Energy: 0.49485358075565483
Energy: 0.4263495224423628
Energy: 0.49485358075565483
Energy: 0.5577562495720264
Energy: 0.5801215218824524
Energy: 0.9171915758113106
Energy: 0.58012152274241
Energy: 1.0145765764306005
Energy: 0.5924977550286156
Energy: 1.3841893954824465
Energy: 0.5924977550268343
Energy: 0.5334667969607385
Energy: 0.6293206361232221
Energy: 0.5372304943821143
Energy: 0.6293206361250034
Energy: 0.607999284698899
Energy: 1.1637197855736212
Energy: 0.5509107320056638
Energy: 1.1637197855736212
Energy: 0.535975496810814
Energy: 1.1543349337314104
Energy: 0.537628364352637
Energy: 1.1543349277836468
Energy: 0.5803882465176746
Energy: 0.587672584865232
Energy: 1.126319824746028
Energy: 0.587672584865232
Energy: 0.9721290906514329
Energy: 0.5784509321692821
Energy: 0.5553962297616947
Energy: 0.5784509322004546
Energy: 0.4253362016202467
Energy: 0.4775333898585856
Energy: 0.6056595495593065
Energy: 0.4775333898621482
Energy: 0.4744058122764906
Energy: 0.4727882003240036
Energy: 0.4719276803390329
Energy: 0.47278820038719893
Energy: 0.633702707605761
Energy: 0.4584183603926402
Energy: 0.46276445134732136
Energy: 0.45841836038818695
Energy: 0.5691952898366333
Energy: 0.4871971343958691
Energy: 0.5615803061690238
Energy: 0.48719715499533855
Energy: 0.4377799775900476
Energy: 0.6707983300490387
Energy: 0.6220812016883691
Energy: 0.6707983300508199
Energy: 0.5006840432505734
Energy: 0.5453542820634946
Energy: 0.5866614773540287
Energy: 0.5453542820688385
Energy: 0.6071624632309996
Energy: 0.49487110065350093
Energy: 0.42769709510038495
Energy: 0.49487110065706347
Energy: 0.5571195609731978
Energy: 0.4950682619002086
Energy: 0.4546525422497505
Energy: 0.49506826188328634
Energy: 1.012631297268404
Energy: 1.1411224290730866
Energy: 0.5993536130868256
Energy: 1.1411224290730866
Energy: 0.5257159766399541
Energy: 0.5862182993147113
Energy: 0.5452027922789876
Energy: 0.586218299317383
Energy: 1.4047206094364952
Energy: 1.1540315915212611
Energy: 0.5660494597210602
Energy: 1.1540315915168078
Energy: 0.5403402454859846
Energy: 1.1478603843836366
Energy: 0.5339490347903099
Energy: 1.1478603843845274
Energy: 0.5792820351109221
Energy: 0.5861236361118709
Energy: 1.1302604767869304
Energy: 0.5861236361127613
Energy: 0.581621789090759
Energy: 0.5746042956511129
Energy: 0.5493676719104099
Energy: 0.5746042957499339
Energy: 0.4312295346161448
Energy: 0.5170370641902671
Energy: 0.6100585198789996
Energy: 0.5170370641938296
Energy: 0.45504337811540446
Energy: 0.46986550017367595
Energy: 0.4686628542580815
Energy: 0.4698655001727854
Energy: 0.6237820006444051
Energy: 0.49509038250372006
Energy: 0.44456784399328414
Energy: 0.49509038250282944

minimum gb energy = 0.3856166923413875 eV
minimum distance =  2.25214261338229 Angstroms
sigma value = 25


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

Energy: 1.4531260273877245
Energy: 0.6223068481803227
Energy: 0.6071208996306257
Energy: 0.6674027121972332
Energy: 1.0571404548810257
Energy: 0.6493789213865427
Energy: 0.6823647632727746
Energy: 0.6493789213968962
Energy: 0.632904225755528
Energy: 0.6668742835674702
Energy: 1.5037357060394851
Energy: 0.6668742835664351
Energy: 0.6365695754603168
Energy: 0.6669161082787749
Energy: 0.666472765020275
Energy: 0.6669161084640088
Energy: 1.3639099889271218
Energy: 0.6705869758939489
Energy: 1.012397208348967
Energy: 0.6705869758939489
Energy: 0.7217991327332594
Energy: 0.7861206795215414
Energy: 0.653084663874587
Energy: 0.7861206795246476
Energy: 0.7281491316048092
Energy: 0.7716462306981139
Energy: 1.0973763225566893
Energy: 0.7716462306981139
Energy: 0.6959114949394457
Energy: 0.7892309101878099
Energy: 0.7139404352436689
Energy: 0.7892309102343537
Energy: 0.7538500866475957
Energy: 1.2595946013650403
Energy: 0.7962491198109782
Energy: 1.2595946013650403
Energy: 0.7419802045392179
Energy: 0.7585914825913428
Energy: 0.6321067375955923
Energy: 0.758591482592378
Energy: 0.5549112744699614
Energy: 0.6533145086032561
Energy: 1.0545698880241552
Energy: 0.6533145086042916
Energy: 0.6631509288199924
Energy: 0.6382556396900022
Energy: 0.6333956669143773
Energy: 0.6382556396910376
Energy: 0.5991214066682468
Energy: 0.6115836901417402
Energy: 0.8014290066260905
Energy: 0.6115623327845282
Energy: 0.6864768958964755
Energy: 0.6343778961025652
Energy: 0.7218444734945901
Energy: 0.6343778961087773
Energy: 0.8136919514933247
Energy: 0.8786651207233035
Energy: 0.6069592824758816
Energy: 0.878665120724339
Energy: 0.7590690120922187
Energy: 0.7119334795694657
Energy: 0.6720641527431284
Energy: 0.7119334795632536
Energy: 0.6059665291719226
Energy: 0.656257569291163
Energy: 0.7763520304803578
Energy: 0.656257569291163
Energy: 0.6382919545889347
Energy: 0.6831865944343566
Energy: 0.7351671828044289
Energy: 0.6831865942750064
Energy: 0.8665708786075078
Energy: 0.7612325505978992
Energy: 0.7133874938163
Energy: 0.7612325505989346
Energy: 0.724196476286942
Energy: 1.239205619396207
Energy: 0.7182596801078428
Energy: 1.2392056193217085
Energy: 1.137214154389005
Energy: 0.7382056205837099
Energy: 0.8644792800752013
Energy: 0.738205620584745
Energy: 0.7147479836408603
Energy: 0.7618775228481748
Energy: 0.7254899565956311
Energy: 0.7618775228481748
Energy: 0.6156106438998273
Energy: 0.6511532272630857
Energy: 0.543720241673692
Energy: 0.6511532272620503
Energy: 0.6367064162155968
Energy: 0.6369049167703963
Energy: 0.5403670913466129
Energy: 0.6369049167714317
Energy: 0.7647098487354822
Energy: 0.6564711314710595
Energy: 0.606217666068874
Energy: 0.6564711314710595

minimum gb energy = 0.5403670913466129 eV
minimum distance =  2.24471550764884 Angstroms
sigma value = 9


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

Energy: 1.3681645030223757
Energy: 0.686985246101423
Energy: 0.8001126273946774
Energy: 0.8542214159026221
Energy: 0.8626735703480919
Energy: 0.8118160241034303
Energy: 0.7901020582652859
Energy: 0.8118160240873742
Energy: 0.7898180814438835
Energy: 0.7658211855148445
Energy: 1.226652063312837
Energy: 0.7658211855136094
Energy: 0.7599520029925354
Energy: 0.8043523815483329
Energy: 0.8185615781793075
Energy: 0.8043523815273362
Energy: 1.15509751486905
Energy: 0.8872583046035423
Energy: 0.7923661393601756
Energy: 0.8872583046047775
Energy: 0.919521122311961
Energy: 0.9987216811541897
Energy: 0.8055141656221415
Energy: 0.9987216811504844
Energy: 0.9003971248969508
Energy: 0.984149832362098
Energy: 0.8210612826672834
Energy: 0.984149832362098
Energy: 0.8616170657404101
Energy: 0.9802848712324708
Energy: 0.81298699653485
Energy: 0.9802848712102671
Energy: 0.7948451675000037
Energy: 0.8375300544731753
Energy: 0.6781469707591807
Energy: 0.8375300544731753
Energy: 0.802834547786043
Energy: 0.8233083323863296
Energy: 0.6892243383394354
Energy: 0.8233083323863296
Energy: 1.6186523475760242
Energy: 0.7509177875327979
Energy: 0.7624917579689668
Energy: 0.7509177875204469
Energy: 0.8799948853465964
Energy: 0.8283471507300719
Energy: 0.840634419190567
Energy: 0.8283471506177058
Energy: 0.7760277404365121
Energy: 0.7567124539827564
Energy: 0.9711209624218423
Energy: 0.7567124539839916
Energy: 0.8465951603041273
Energy: 0.8414729175752464
Energy: 0.8543068892396984
Energy: 0.8414729175752464
Energy: 1.151955508881205
Energy: 0.8592003478478117
Energy: 0.8060659004707037
Energy: 0.8592003478317556
Energy: 0.9130668369094563
Energy: 0.8307569400823566
Energy: 0.8653633823532542
Energy: 0.8307569400823566
Energy: 0.8838699964210769
Energy: 0.9472422383375572
Energy: 1.1373247942215878
Energy: 0.9472422383499081
Energy: 0.8788319692715826
Energy: 0.9692906418272703
Energy: 0.8045043195075141
Energy: 0.9692906418272703
Energy: 0.822041248925696
Energy: 0.8233847364841709
Energy: 0.6779023503975288
Energy: 0.8233847364841709
Energy: 0.794275908941989
Energy: 0.843071345736939
Energy: 0.6752508903160745
Energy: 0.843071345736939
Energy: 1.0413535018271318
Energy: 0.8401390015241261
Energy: 0.7612031922031912
Energy: 0.8401390014895432

minimum gb energy = 0.6752508903160745 eV
minimum distance =  2.25989532458245 Angstroms
sigma value = 25


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

Energy: 1.3913629844614714
Energy: 1.2033234049996582
Energy: 1.2584425099817929
Energy: 1.2678902387485678
Energy: 1.3096931865634838
Energy: 0.7886561843063479
Energy: 0.8840917532151072
Energy: 0.7886561842956558
Energy: 1.235771507941978
Energy: 1.2082924972599318
Energy: 1.0384121279218834
Energy: 1.2082924971927593
Energy: 1.2043542384292714
Energy: 0.9401466439947487
Energy: 0.763003636223038
Energy: 0.9401466439917285
Energy: 1.2297345352641726
Energy: 1.317772240547184
Energy: 0.8530153228742954
Energy: 1.317772240547184
Energy: 0.9150316939099423
Energy: 0.8846354697045428
Energy: 0.7610093627287907
Energy: 0.8846349473496186
Energy: 0.9839092393716914
Energy: 0.8912070487656051
Energy: 0.8734721562689095
Energy: 0.891207048718289
Energy: 0.7656143807507902
Energy: 1.3111809555353717
Energy: 0.738230308022606
Energy: 1.3111809555323166
Energy: 0.7687945812941379
Energy: 0.8446343956661044
Energy: 0.8994141779776353
Energy: 0.8446343955699103
Energy: 0.8332350018898782
Energy: 0.8867451280191555
Energy: 0.9800731291352216
Energy: 0.8867451280176281
Energy: 1.2377373910946072
Energy: 1.1844642179678189
Energy: 0.8116878197615736
Energy: 1.1844642179678189
Energy: 1.1983611949941786
Energy: 0.8879038118030024
Energy: 0.8640170065912384
Energy: 0.8879038117968927
Energy: 0.7739887161283695
Energy: 0.9625555690928327
Energy: 0.9217986730567864
Energy: 0.9625555690378796
Energy: 0.7371235914005715
Energy: 1.3121119926884595
Energy: 0.9089491497927112
Energy: 1.3121119926884595
Energy: 0.8983597974386308
Energy: 1.3140780616056127
Energy: 0.7569304412069395
Energy: 1.31407806160714
Energy: 0.7526220421159336
Energy: 1.3155370109678455
Energy: 0.7251366809602463
Energy: 1.3155370109678455
Energy: 0.8903720390867007
Energy: 0.8471507234254534
Energy: 1.1969549586105193
Energy: 0.8471507335753776

minimum gb energy = 0.7251366809602463 eV
minimum distance =  2.2941449013104 Angstroms
sigma value = 17


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

Energy: 2.039547547186685
Energy: 0.81696071891785
Energy: 0.9411575479440896
Energy: 1.326545215202447
Energy: 1.2074714551139014
Energy: 1.4124258986678468
Energy: 1.3351960226060913
Energy: 1.4124258943729702
Energy: 1.1649346178446316
Energy: 1.2209600595193164
Energy: 1.3564455174058991
Energy: 1.2209600594700076
Energy: 1.1703441224881055
Energy: 0.9492353866719625
Energy: 1.2092747680411027
Energy: 0.949235386755835
Energy: 0.8746177462724278
Energy: 1.4330488486964983
Energy: 1.2370456660053004
Energy: 1.4330488486956332
Energy: 1.2130467229728616
Energy: 1.5192166898754644
Energy: 1.1504908626479267
Energy: 1.5192166898391313
Energy: 1.4588508570488954
Energy: 1.1948988389850672
Energy: 1.1567052995144667
Energy: 1.1948990232764833
Energy: 1.295301728689953
Energy: 1.1710625429049428
Energy: 1.2892195012832697
Energy: 1.1710625429576729
Energy: 0.8747449215035432
Energy: 1.258067021759606
Energy: 1.189741622407073
Energy: 1.258067021763066
Energy: 1.262727304090855
Energy: 1.249185866648538
Energy: 1.2239251637470157
Energy: 1.249185866648538
Energy: 1.3973051041366182
Energy: 1.4319265493327944
Energy: 0.7389890023436955
Energy: 1.4319265493327944
Energy: 1.2639746853280596
Energy: 1.2724472171814654
Energy: 1.2098266471520076
Energy: 1.2724472171762748
Energy: 1.1643011024768
Energy: 1.3256557441422077
Energy: 1.2527779906542327
Energy: 1.3256557441439376
Energy: 1.2081999000552759
Energy: 1.3391801783725075
Energy: 1.1220146444421095
Energy: 1.339177532840132
Energy: 1.28064320793628
Energy: 1.3097549479190598
Energy: 1.3015225687857295
Energy: 1.3097549479847654
Energy: 0.8753752699824843
Energy: 1.348487149585811
Energy: 1.3049906891512884
Energy: 1.3484871495745652
Energy: 1.2059190607112122
Energy: 1.3012971458300895
Energy: 1.192611405290189
Energy: 1.3012971458456608
Energy: 1.1944088185778172
Energy: 1.1618308123873111
Energy: 1.1590244020762692
Energy: 1.1618308127902373
Energy: 1.1598895260411652
Energy: 1.4737941378616117
Energy: 0.8501761691682966
Energy: 1.4737941379982538
Energy: 1.330156683993712
Energy: 1.486471434625553
Energy: 1.1361878618539014
Energy: 1.486471434625553
Energy: 1.1665341808703784
Energy: 1.1554434506000475
Energy: 1.360386177541509
Energy: 1.1554434505974527
Energy: 1.1736678940812313
Energy: 1.1624152145072526
Energy: 1.6228039652411999
Energy: 1.1624152140100732
Energy: 1.1850676333846897
Energy: 1.247569900726928
Energy: 0.8936562624270431
Energy: 1.2475699005021277
Energy: 1.3857387075709726
Energy: 1.2619099822086461
Energy: 1.2664577279301632
Energy: 1.2619099821931141
Energy: 1.1824069582900492
Energy: 1.2770660414525201
Energy: 1.2727853396736923
Energy: 1.277066041451655
Energy: 1.191932362542744
Energy: 1.279690477585738
Energy: 1.1814356717415382
Energy: 1.2796904775987141
Energy: 1.1468741837948466
Energy: 1.4384001168049065
Energy: 1.3124529322890448
Energy: 1.4384001168049065
Energy: 1.1910489411572236
Energy: 1.3318616467708153
Energy: 1.158945176521995
Energy: 1.3318616467656248
Energy: 1.180376571786088
Energy: 1.3985742553188234
Energy: 1.1983142993599354
Energy: 1.3985742553309344
Energy: 1.239409834548376
Energy: 1.258707497358133
Energy: 0.8464953944721569
Energy: 1.2587074973572678

minimum gb energy = 0.7389890023436955 eV
minimum distance =  2.27984050707377 Angstroms
sigma value = 53


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

Energy: 1.5364739747634735
Energy: 1.117905143385761
Energy: 1.317813066348969
Energy: 1.3233908514728534
Energy: 1.3264875690373599
Energy: 1.2720447922054037
Energy: 1.2886530675088834
Energy: 1.27204479220735
Energy: 1.2477333330675693
Energy: 1.2560976318914134
Energy: 1.4780479729718272
Energy: 1.2560976318854387
Energy: 1.2472206419562473
Energy: 1.2262248635912982
Energy: 1.4148806181273437
Energy: 1.2262248635912982
Energy: 0.9913449791269523
Energy: 1.2262335044183665
Energy: 1.1106673862201601
Energy: 1.2262335044183665
Energy: 1.3690623323647009
Energy: 0.8185392792274335
Energy: 1.1403999265771965
Energy: 0.8185392792353996
Energy: 1.3057653032363314
Energy: 1.2541793958978171
Energy: 1.2585211120399322
Energy: 1.2541793958958256
Energy: 1.3027467985428698
Energy: 1.2773147847852921
Energy: 1.2836504480318531
Energy: 1.2773147847852921
Energy: 1.2490525347675725
Energy: 1.2529661336109041
Energy: 1.1662216523830842
Energy: 1.2529661336109041
Energy: 1.2508036186721245
Energy: 1.2615567621549753
Energy: 1.2785166662032799
Energy: 1.2615567621529837
Energy: 1.1015631271956416
Energy: 0.8415299527153534
Energy: 1.1091401871586293
Energy: 0.8415299527153534
Energy: 1.247022541004842
Energy: 0.8522205680821572
Energy: 1.1209501092800236
Energy: 0.852220568121988
Energy: 1.30951636130987
Energy: 0.9129015755856145
Energy: 1.311224233285682
Energy: 0.9129015755756567

minimum gb energy = 0.8185392792274335 eV
minimum distance =  2.3086845527106 Angstroms
sigma value = 9


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

Energy: 1.6635956806305396
Energy: 1.263425171590763
Energy: 1.390935363974137
Energy: 1.3890901499456672
Energy: 1.245053444710017
Energy: 0.8154479695495161
Energy: 1.3590741445956565
Energy: 0.8154695464326039
Energy: 1.1530349038130396
Energy: 1.1336034846723073
Energy: 1.2489232807948127
Energy: 1.1336034844247078
Energy: 1.1461921152509742
Energy: 0.8871826395003308
Energy: 1.3975552730225238
Energy: 0.8871826394811662
Energy: 1.1558973550251106
Energy: 1.1598944083114635
Energy: 1.3483994516665623
Energy: 1.159894313572486
Energy: 1.2338570776227573
Energy: 0.8758789262133105
Energy: 1.3494902863358504
Energy: 0.875878926208888
Energy: 1.4332534431927975
Energy: 1.252365752623199
Energy: 1.363606481287868
Energy: 1.2523657526202507
Energy: 1.46820047937202
Energy: 1.2700015759807
Energy: 1.2669847503131746
Energy: 1.2700015759924939
Energy: 1.1973256172440025
Energy: 1.6365830457593353
Energy: 1.2545914987931426
Energy: 1.6365830457652322
Energy: 1.1811331895688502
Energy: 1.3878715853685182
Energy: 1.278364745132182
Energy: 1.387871585369255
Energy: 1.16632145944646
Energy: 1.1668883065622584
Energy: 1.3524665903784863
Energy: 1.1668883065467797
Energy: 1.384983414343448
Energy: 1.2392043083549567
Energy: 1.3897872788897394
Energy: 1.2392043115651048
Energy: 1.3075742988149512
Energy: 1.1701057627239646
Energy: 1.3686178652465564
Energy: 1.170105762733547
Energy: 1.29352268173826
Energy: 1.1687396559052212
Energy: 1.1797512155353198
Energy: 1.1687396559066956
Energy: 1.2680913587991962
Energy: 1.422628565505811
Energy: 1.1979197677818572
Energy: 1.4226285655072852
Energy: 1.363436677150132
Energy: 1.4832887336297802
Energy: 1.1969543895863128
Energy: 1.4832887413305578
Energy: 1.299998760844552
Energy: 1.5976549817023318
Energy: 1.1843216699789079
Energy: 1.5976549817015944
Energy: 1.2710726047793037
Energy: 1.2991794940450954
Energy: 1.6787207125125876
Energy: 1.2991795131010038
Energy: 1.3538861140448066
Energy: 1.3395357651285786
Energy: 1.3186432079844945
Energy: 1.3395357651248934
Energy: 1.580807185482087
Energy: 1.1387847411665477
Energy: 1.1530891188188348
Energy: 1.1387828899502919
Energy: 1.4064909793791223
Energy: 1.2311892087913396
Energy: 1.1581389896974947
Energy: 1.2311892088849516
Energy: 1.393280030508751
Energy: 1.15082731557893
Energy: 1.160407773445758
Energy: 1.1508273155811413
Energy: 1.2909925378182998
Energy: 1.2042032534181804
Energy: 1.216843844726087
Energy: 1.204203246196251
Energy: 1.3647138588736514
Energy: 1.3116957113863497
Energy: 1.4944661180606296
Energy: 1.3116957114002878
Energy: 1.2812608016443847
Energy: 1.3599082489208918
Energy: 1.4492297451081968
Energy: 1.3599082489245105
Energy: 1.253075045435205
Energy: 1.6182586681501192
Energy: 1.1574135824487422
Energy: 1.6182586681501192
Energy: 1.2676296336597443
Energy: 1.3479288716375766
Energy: 1.1808112831469189
Energy: 1.3479288716338915
Energy: 1.506062288475693
Energy: 1.1615856742017692
Energy: 1.1680494975642577
Energy: 1.1615858135311579
Energy: 1.3341908569277532
Energy: 1.239240647128666
Energy: 1.1720809265014338
Energy: 1.2392406469459987
Energy: 1.353500824839003
Energy: 1.1641177478060956
Energy: 1.3122583388820845
Energy: 1.164117747700757
Energy: 1.171486100574202
Energy: 1.152001799978267
Energy: 1.3173152848032332
Energy: 1.152001799955417
Energy: 1.1823605080347368
Energy: 1.397875156770993
Energy: 1.2586970682385978
Energy: 1.3978751567702556
Energy: 1.1960500224863717
Energy: 1.4387090471379498
Energy: 1.3531816306178048
Energy: 1.4387090471357382
Energy: 1.1690320491702366
Energy: 1.474377260996519
Energy: 1.1953183992912182
Energy: 1.4743772606413696
Energy: 1.5727329635011496
Energy: 1.3317394837334422
Energy: 1.2892337114885752
Energy: 1.3317394837334422

minimum gb energy = 0.8154479695495161 eV
minimum distance =  2.27622847654433 Angstroms
sigma value = 73


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

Energy: 1.6941781293643918
Energy: 1.0117156722642846
Energy: 1.158320125201519
Energy: 1.1082909875618436
Energy: 1.1471551708742238
Energy: 1.178255345211781
Energy: 1.1273897527707548
Energy: 1.178255345218798
Energy: 0.9932349201888223
Energy: 0.9561079334584172
Energy: 1.2111274844850357
Energy: 0.9562900838861166
Energy: 0.9963680552120165
Energy: 1.0263644427760417
Energy: 1.1724647250694546
Energy: 1.0263644419448916
Energy: 0.9983835208276675
Energy: 0.9926619449873385
Energy: 1.1480552538837734
Energy: 0.9926619449534503
Energy: 0.9937965173466989
Energy: 1.247698126448706
Energy: 1.1532639646373157
Energy: 1.2476981265130003
Energy: 1.173041885972773
Energy: 1.098544222545689
Energy: 1.143850119195278
Energy: 1.0985442225468585
Energy: 1.1568414220610403
Energy: 1.2468229371809254
Energy: 1.2636472038544804
Energy: 1.246822937179756
Energy: 1.0516506887286525
Energy: 1.4029298296076615
Energy: 1.1182033818004173
Energy: 1.402929829608831
Energy: 1.131441762136296
Energy: 1.2261355902183957
Energy: 1.2497142356998157
Energy: 1.2261356765129252
Energy: 1.0127709267140916
Energy: 0.9163618460904973
Energy: 1.1163417510675044
Energy: 0.9163618460928363
Energy: 1.3264273135514224
Energy: 0.9397080439137504
Energy: 1.2761621471288707
Energy: 0.9397080439137504
Energy: 1.1895152819111035
Energy: 1.1800308542759539
Energy: 1.2108991700625968
Energy: 1.1800308542759539
Energy: 1.1912644948942852
Energy: 1.1820894825500727
Energy: 1.0076384792832744
Energy: 1.1820894825500727
Energy: 1.0845982709877944
Energy: 1.1529891421700296
Energy: 0.984840168044583
Energy: 1.1529892473525094
Energy: 1.1387449255671722
Energy: 1.0616149899047005
Energy: 1.054818670606755
Energy: 1.0616149901642173
Energy: 1.2021610304330843
Energy: 1.300690778295646
Energy: 1.0681048512474787
Energy: 1.3006907782968156
Energy: 1.1258526551287302
Energy: 1.094599560569432
Energy: 1.1388038803472584
Energy: 1.094599553283321
Energy: 1.0675695832367584
Energy: 1.0904458137396698
Energy: 1.3738589242939054
Energy: 1.0904458137653983
Energy: 1.269762652683441
Energy: 1.0972287810888888
Energy: 1.0892911468484208
Energy: 1.0972287687318887
Energy: 1.058328197236749
Energy: 1.2220855649898812
Energy: 1.0865774669888504
Energy: 1.2220855575821983
Energy: 1.3182012717785176
Energy: 1.066551134947939
Energy: 1.0304367894219697
Energy: 1.0665511349198984

minimum gb energy = 0.9163618460904973 eV
minimum distance =  2.30801862832044 Angstroms
sigma value = 7


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

Energy: 1.5194484876080878
Energy: 0.9133741487200987
Energy: 1.355921857007664
Energy: 1.3387090517193871
Energy: 1.2789149316440023
Energy: 1.6716891540946974
Energy: 1.3271749987067032
Energy: 1.6716891540963514
Energy: 1.1289218784328863
Energy: 1.420660583686429
Energy: 1.2447058695067394
Energy: 1.4206605836814674
Energy: 1.1345513830238596
Energy: 0.9196367662121111
Energy: 1.3624249013888527
Energy: 0.9196367662137649
Energy: 1.1407197911142042
Energy: 1.141306046907154
Energy: 1.2747940547021515
Energy: 1.1413060469079808
Energy: 1.343661553979572
Energy: 1.1484162631571104
Energy: 1.0250701591547378
Energy: 1.1484162628421954
Energy: 1.3831800221860147
Energy: 1.496411574094521
Energy: 1.3408738331382595
Energy: 1.4964115740970017
Energy: 1.4114502988615558
Energy: 1.142653028333316
Energy: 1.1459294543417502
Energy: 1.142653028328354
Energy: 1.366345543821283
Energy: 1.1886459113862693
Energy: 1.202461431895117
Energy: 1.1886459112903818
Energy: 1.5050708284942838
Energy: 1.6267585421791089
Energy: 1.1179634971721555
Energy: 1.6267585421873783
Energy: 1.3136407606398535
Energy: 1.1797719736095027
Energy: 1.1915107186027267
Energy: 1.1797719736086758
Energy: 1.1994422692667357
Energy: 1.1959820178755056
Energy: 1.306554535384588
Energy: 1.1959820178746787
Energy: 1.191381831932841
Energy: 1.1663424214974536
Energy: 1.2047485065089658
Energy: 1.1663424214776066
Energy: 1.2623989904067552
Energy: 1.4312780750508955
Energy: 1.07785198998958
Energy: 1.4312780750632998
Energy: 1.2155528062980696
Energy: 1.1381026816734199
Energy: 1.088616952140625
Energy: 1.138102681675074
Energy: 1.5337486317227984
Energy: 1.1902912827908534
Energy: 1.2036963853481566
Energy: 1.1902912827900267
Energy: 1.2329333906230877
Energy: 1.1856863890304936
Energy: 1.332471492482982
Energy: 1.1856863890304936
Energy: 1.1310016861946315
Energy: 1.665720614061503
Energy: 1.3824026993919363
Energy: 1.665720614061503
Energy: 1.1988362659854255
Energy: 1.1991554562322722
Energy: 1.3874356984904181
Energy: 1.1991554562339264
Energy: 1.1524576149941996
Energy: 1.1390120985630396
Energy: 1.5473561835427432
Energy: 1.1390120985605587
Energy: 1.349648321096778
Energy: 1.3794454298143775
Energy: 1.274849578079862
Energy: 1.3794454298168584
Energy: 1.3877882762008116
Energy: 1.4338646412986888
Energy: 1.3551887976587833
Energy: 1.4338646413085745
Energy: 1.393725483348267
Energy: 1.1688309727906874
Energy: 1.1270330912715876
Energy: 1.1688309727749757
Energy: 1.402778935071896
Energy: 1.173876479852865
Energy: 1.1294364785209516
Energy: 1.173876479852865
Energy: 1.2385220515375994
Energy: 1.41281188495322
Energy: 1.1187473991761603
Energy: 1.4128118848127151
Energy: 1.272669433406001
Energy: 1.672629470026259
Energy: 1.2328968680469237
Energy: 1.672629470026259
Energy: 1.3524032579828071
Energy: 1.1728416829598807
Energy: 1.4465948489541454
Energy: 1.172841706487522
Energy: 1.198323012891156
Energy: 1.3750169856297714
Energy: 1.2014435697165986
Energy: 1.37501698556527
Energy: 1.3874309107213674
Energy: 1.461598712436623
Energy: 1.186715199962391
Energy: 1.461598712434142
Energy: 1.1927199769007473
Energy: 1.181886665304872
Energy: 1.0911955335837933
Energy: 1.1818866653090068
Energy: 1.2516956288633223
Energy: 1.1943726452306305
Energy: 1.2062942479630216
Energy: 1.1943726452322843

minimum gb energy = 0.9133741487200987 eV
minimum distance =  2.27826507200703 Angstroms
sigma value = 29


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

Energy: 1.197539156641143
Energy: -2.463354181847343
Energy: 1.336502580744697
Energy: 1.112822731814191
Energy: 1.098583658982106
Energy: 1.0690194569552314
Energy: 0.8239303618009608
Energy: 1.0690194569842282
Energy: 0.7998603713213852
Energy: 1.119798764952295
Energy: 1.1210303632580123
Energy: 1.1197987648501022
Energy: 1.0908241795276012
Energy: 1.0336914415729108
Energy: 0.8029881993710156
Energy: 1.0336914416021956
Energy: 0.8122968633421798
Energy: 1.2591086059383607
Energy: 1.0934025127446996
Energy: 1.259108605939193
Energy: 0.8280687213073784
Energy: 1.1145831008527856
Energy: 1.1103296408690964
Energy: 1.1145831008454563
Energy: 1.1125808174172735
Energy: 1.1330596929841072
Energy: 0.8241091813941256
Energy: 1.1330596929852277
Energy: 0.825060615944205
Energy: 0.9995903322415511
Energy: 1.0901924470158024
Energy: 0.999590332241263
Energy: 1.0981052954806307
Energy: 1.0419727384319974
Energy: 1.1864131178159665
Energy: 1.0419727384288928

minimum gb energy = -2.463354181847343 eV
minimum distance =  2.30856088471852 Angstroms
sigma value = 5


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

Energy: 1.06358088293969
Energy: 0.9998505128274803
Energy: 1.3245405653027185
Energy: 1.0293430354345716
Energy: 1.3168324279163763
Energy: 1.0088623592888923
Energy: 1.2313992563581357
Energy: 1.008862372879496
Energy: 1.2122527198941209
Energy: 1.1396766770862405
Energy: 1.2287834549223933
Energy: 1.139676677083116
Energy: 1.1642721786927663
Energy: 1.3085409583060066
Energy: 1.2998674492952558
Energy: 1.3085409583060066
Energy: 1.2129411370720937
Energy: 1.0205357200101401
Energy: 1.005289172718006
Energy: 1.0205357200117025
Energy: 1.0467212466279836
Energy: 1.0153818657264702
Energy: 1.0102143604809668
Energy: 1.015381865730376
Energy: 1.0792089888772922
Energy: 1.0549847787211504
Energy: 1.3369348716767344
Energy: 1.0549847788882447
Energy: 1.0339270669452807
Energy: 1.0484679707117293
Energy: 1.3107449010361358
Energy: 1.0484680242925724
Energy: 1.3407461285218738
Energy: 1.2055949927639023
Energy: 1.3366252283306883
Energy: 1.2055949924367437
Energy: 1.3865497946436878
Energy: 1.0094650251303594
Energy: 1.0273555065753446
Energy: 1.0094650389036808
Energy: 1.3311140002421065
Energy: 1.0228888078936647
Energy: 1.045631574007556
Energy: 1.022888807895227
Energy: 1.2724563699885925
Energy: 1.2588648537313571
Energy: 1.0319090440142689
Energy: 1.2588648537297948
Energy: 1.2738720408995075
Energy: 1.4085411996457162
Energy: 1.254502728328863
Energy: 1.4085411996371235
Energy: 1.3424774535757926
Energy: 1.4374873726008512
Energy: 1.30289163090398
Energy: 1.4374873726008512
Energy: 1.1177515264764313
Energy: 1.2433000858646754
Energy: 1.2580185376982251
Energy: 1.2433000860223962
Energy: 1.1164828476302413
Energy: 1.007558495559267
Energy: 1.3167793993599455
Energy: 1.0075584955990344
Energy: 1.1111696189981823
Energy: 1.0167247019445151
Energy: 0.9664523302328846
Energy: 1.0167247019445151
Energy: 1.2800126216341834
Energy: 1.0071625263274537
Energy: 1.3668047732306878
Energy: 1.0071625263258914
Energy: 1.2933087773687775
Energy: 1.2525328609304964
Energy: 1.1145164000628913
Energy: 1.2525328609953315
Energy: 1.2798026665387328
Energy: 1.2468052064016515
Energy: 1.1667298701606323
Energy: 1.2468052063993083
Energy: 0.9994587923786066
Energy: 1.0215974781656447
Energy: 1.1226921802642686
Energy: 1.021659030120761
Energy: 1.0168937188251816
Energy: 1.0217497657990071
Energy: 1.0458569013554069
Energy: 1.0217497625813214
Energy: 1.359883670814067
Energy: 1.0578743675883229
Energy: 1.093883667815316
Energy: 1.057874367594572
Energy: 1.3202656036772158
Energy: 1.0607128474206706
Energy: 1.0414323859660364
Energy: 1.0607128474237955
Energy: 1.345888344391584
Energy: 1.1902546120995379
Energy: 1.3111693313037298
Energy: 1.1902546120995379
Energy: 1.0236840284450102
Energy: 1.1942894560051118
Energy: 1.2990203761680308
Energy: 1.1942894556521755
Energy: 1.0440333018899344
Energy: 1.0217540750618777
Energy: 1.3021102163921923
Energy: 1.0217540750634397
Energy: 1.0266584556459442
Energy: 1.0286432089137778
Energy: 1.2974127213604874
Energy: 1.028643208914559
Energy: 1.3487018850080996
Energy: 1.2643067855679029
Energy: 1.0387280685515152
Energy: 1.2643067856357917
Energy: 1.3025304611121664
Energy: 1.5217136322168048
Energy: 1.3166196507976013
Energy: 1.5217136322191485
Energy: 1.2942689649219539
Energy: 1.044105599351834
Energy: 1.0591065286803285
Energy: 1.0441053655561068
Energy: 1.348917044195999
Energy: 1.067636245714615
Energy: 1.0557179112108346
Energy: 1.0676362455475206
Energy: 0.9863093993644102
Energy: 1.0350439895526335
Energy: 1.0450334286751815
Energy: 1.035043989554196

minimum gb energy = 0.9664523302328846 eV
minimum distance =  2.28694274708117 Angstroms
sigma value = 1


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

Energy: -1.9019462722881002
Energy: 0.949769852548845
Energy: 1.2765754602432369
Energy: 0.7633154175561806
Energy: 1.3634094062413094
Energy: 1.0028991283433775
Energy: 1.0122481779519337
Energy: 1.0028991283412174
Energy: 1.0033934250071554
Energy: 0.8995484104996534
Energy: 0.992395513017555
Energy: 0.8995484157075789
Energy: -2.363335897501403
Energy: 1.0554604602221134
Energy: 1.0129908295753622
Energy: 1.0554604604693012
Energy: 1.0170140719707026
Energy: 0.7770848078595608
Energy: 1.1505453437747974
Energy: 0.7770848078574006
Energy: 1.0143263249151653
Energy: 1.0043587873388875
Energy: 1.168362804723529
Energy: 1.0043587873399675
Energy: 0.7813545532830307
Energy: 0.7882101921878332
Energy: 1.4459796135738416
Energy: 0.7882101920690753
Energy: 1.0100081784458297
Energy: 1.3092332701379246
Energy: 1.1881967184878193
Energy: 1.3092332701379246
Energy: -2.1263682015079013
Energy: 1.0649911609476876
Energy: 1.4831215532172313
Energy: 1.0649911609466078
Energy: 1.0530457856505888
Energy: 0.759812715158447
Energy: 1.0139072875250255
Energy: 0.7598095230890552
Energy: 1.4369840786590256
Energy: 0.799897205905853
Energy: 0.7785359883897827
Energy: 0.799897205904773
Energy: 1.2188688994291597
Energy: 0.7822952731354192
Energy: 1.0196726560802345
Energy: 0.7822952731375794
Energy: 1.2058894067412937
Energy: 0.783586349361189
Energy: 1.021286722342456
Energy: 0.783586349360109
Energy: 1.4441154504096891
Energy: 1.0669804728837724
Energy: 1.002993609921467
Energy: 1.0669804728837724
Energy: 1.0097329407172215
Energy: 0.8873187189752291
Energy: 0.9909302668699088
Energy: 0.88731862512255
Energy: 1.006643469891729
Energy: -2.3587635424883056
Energy: 1.4494340032498312
Energy: -2.308014577993275
Energy: 0.7995150305204288
Energy: 1.010566942122614
Energy: 1.2185073295485385
Energy: 1.010566942122614
Energy: 1.0125498417341003
Energy: 0.7879753711077726
Energy: 1.1842866356976323
Energy: 0.7879753711066924
Energy: 1.0316011405313612
Energy: 0.7965587914012058
Energy: 1.1830133670629093
Energy: 0.7965587914012058
Energy: 0.7884764679145526
Energy: 1.37493593217853
Energy: 1.1877152964720916
Energy: 1.3749359321731296
Energy: 1.212897339317946
Energy: 1.0624262775586495
Energy: 1.4570603793724626
Energy: 1.0624262774701332
Energy: 1.2005786349046783
Energy: 0.7754646899945756
Energy: 1.0123420711592326
Energy: 0.7754647010290093
Energy: 1.4358531493425364
Energy: 0.7858753115080609
Energy: 0.7819903393485885
Energy: 0.7858753115102212
Energy: 1.2190530344518378
Energy: 0.7653297885630391
Energy: 0.7742901556286366
Energy: 0.7653297885673105

minimum gb energy = -2.363335897501403 eV
minimum distance =  2.32365044099925 Angstroms
sigma value = 17


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

Energy: 1.4345583218980327
Energy: 0.9292347603100806
Energy: 1.2616073365513516
Energy: 1.2373124505346624
Energy: 1.5195472700702468
Energy: 0.9606556037503163
Energy: 1.121644901340102
Energy: 0.9606556037256164
Energy: 1.2628402471861986
Energy: 1.2311298398757113
Energy: 1.1526777732384792
Energy: 1.2311298398757113
Energy: 1.3025093764337181
Energy: 1.4106010803455935
Energy: 1.1289149493372428
Energy: 1.410601080346261
Energy: 1.2856934497510615
Energy: 0.9318187826362391
Energy: 1.3757939428315007
Energy: 0.9318187826355716
Energy: 0.9384590051167649
Energy: 0.9437629933958921
Energy: 1.506028235021672
Energy: 0.9437629935053122
Energy: 0.9366864724624123
Energy: 0.9365339697110894
Energy: 1.5120690808263686
Energy: 0.9365339697104218
Energy: 0.9443746644829254
Energy: 0.9304295737909668
Energy: 1.4838696550284745
Energy: 0.9304295737943047
Energy: 1.418002027786716
Energy: 0.9569244782039245
Energy: 1.4928473796856243
Energy: 0.9569244800208575
Energy: 1.1363681304985342
Energy: 1.2035663134020784
Energy: 1.1222626905367765
Energy: 1.20356632431193
Energy: 1.4094656944435426
Energy: 1.2481326344774653
Energy: 0.9921854716315377
Energy: 1.248132634476798
Energy: 1.4799713454175967
Energy: 0.9458458015626616
Energy: 1.1217050855086592
Energy: 0.9458458015613265
Energy: 1.4605021458592125
Energy: 0.9324765192358747
Energy: 0.9614916437029036
Energy: 0.9324765192358747
Energy: 1.5200563471081554
Energy: 0.9573479863501171
Energy: 0.9730415878165164
Energy: 0.957347986430225
Energy: 1.2601594469836088
Energy: 0.9621847499020958
Energy: 0.9588297501918469
Energy: 0.9621847499221229
Energy: 1.5557666641904022
Energy: 1.2940438265256244
Energy: 1.531145420335943
Energy: 1.2940438265262921
Energy: 0.969056055940978
Energy: 1.1865174561549796
Energy: 1.3696305425765134
Energy: 1.1865174564886414
Energy: 0.966974782764191
Energy: 0.9618837092462377
Energy: 1.529771300729892
Energy: 0.9618837091795417
Energy: 0.9646835659736358
Energy: 0.9546602980073272
Energy: 1.4491170807713982
Energy: 0.9546602980073272
Energy: 1.1560949876525959
Energy: 0.9409556371944087
Energy: 1.4389993237766825
Energy: 0.9409556372044221
Energy: 1.1273046213836417
Energy: 0.956886239947663
Energy: 1.527748690885114
Energy: 0.9568862527259104
Energy: 1.130452665631469
Energy: 1.3700967729884195
Energy: 1.2592566861878847
Energy: 1.3700967729970979
Energy: 1.1420650528219896
Energy: 1.3892191722887652
Energy: 1.2938365718901013
Energy: 1.3892191722854275
Energy: 1.369828722962544
Energy: 0.9237695499637042
Energy: 1.2933319189434576
Energy: 0.9237695499677095
Energy: 1.5018242696563713
Energy: 0.9414692561933067
Energy: 0.9408062334065878
Energy: 0.9414692561900295
Energy: 1.4936400030063728
Energy: 0.9406160542454823
Energy: 0.9476955445033658
Energy: 0.9406160542468174
Energy: 1.4774544275667485
Energy: 0.9382873039249316
Energy: 0.9521301578600244
Energy: 0.9382873034191592
Energy: 1.4862214261789233
Energy: 0.934146024169749
Energy: 1.4201746588666495
Energy: 0.9341460223234432
Energy: 1.1260024346941335
Energy: 1.2189201423889684
Energy: 1.1470798268074565
Energy: 1.2189201424256846
Energy: 0.9854888529873921
Energy: 1.244331017535302
Energy: 1.4115319688268524
Energy: 1.2443310175359692
Energy: 1.1259312262843875
Energy: 0.9309257439160309
Energy: 1.4930669741326752
Energy: 0.9309257439380606
Energy: 0.9636863763145095
Energy: 0.9326407688615066
Energy: 1.4857673971641683
Energy: 0.9326407688635092
Energy: 0.9654302365643499
Energy: 0.9532169190931182
Energy: 1.5415220095853595
Energy: 0.9532169191044669
Energy: 0.9579241905851026
Energy: 0.9440291604978923
Energy: 1.3020174821792385
Energy: 0.9440312231021085
Energy: 1.5376569473124706
Energy: 0.9880131514576366
Energy: 1.5395928339489497
Energy: 0.9880131514002259
Energy: 1.3718152738367346
Energy: 0.9404441559755632
Energy: 0.9714552835411896
Energy: 0.940444107159486
Energy: 1.5236039130009624
Energy: 0.9631603425756108
Energy: 0.9861373601333852
Energy: 0.9631603424421583
Energy: 1.4673294376307675
Energy: 0.9496415297171392
Energy: 0.958168231393764
Energy: 0.9496415297164716

minimum gb energy = 0.9237695499637042 eV
minimum distance =  2.28325115532561 Angstroms
sigma value = 89


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

Energy: -1.3049651679225953
Energy: 0.8515140766233759
Energy: 0.6640143605719028
Energy: 0.652634279679598
Energy: 1.6262549518571474
Energy: 0.7537032378313138
Energy: 1.009789583955538
Energy: 0.7537032378313138
Energy: 0.8731705392704444
Energy: 0.7419219637075939
Energy: 1.0098797588357522
Energy: 0.7419219637058473
Energy: 0.8463365646549401
Energy: 0.7677700398601649
Energy: 1.2901305020370297
Energy: 0.7677700398601649
Energy: 0.6274624398113486
Energy: 0.6585457041960879
Energy: 1.0423287070075198
Energy: 0.6585457041995814
Energy: 0.6687026222124894
Energy: 0.6391942922268414
Energy: 1.198331886933018
Energy: 0.6391942922233481
Energy: 0.6526272021651819
Energy: 0.678637349651865
Energy: 1.2884400140728502
Energy: 0.678637349698986
Energy: 0.680401085472698
Energy: 0.6667599119374159
Energy: 1.3867416102339398
Energy: 0.6667599118832683
Energy: 1.0371746109169984
Energy: 0.6862957622159419
Energy: 1.6203302297007762
Energy: 0.6862957622159419
Energy: 1.0245139735463578
Energy: 0.7522514029128774
Energy: 0.6818051621674175
Energy: 0.7522514029093841
Energy: 1.0082150728830834
Energy: 0.7586609445951961
Energy: 0.8594824006138407
Energy: 0.7586609445969428
Energy: 1.213035613016588
Energy: 0.6462855363269682
Energy: 0.6810318850819357
Energy: 0.6462855363409019
Energy: 1.1854904702982365
Energy: 0.6614845748473818
Energy: 0.6554775261740896
Energy: 0.6614845748473818
Energy: 0.6778437853523355
Energy: 0.6557631935866222
Energy: 0.670066775521196
Energy: 0.6557631935883688
Energy: 1.6730275851836685
Energy: 0.6833045169563022
Energy: 0.6655327595710361
Energy: 0.6833045169563022

minimum gb energy = -1.3049651679225953 eV
minimum distance =  2.35033236500507 Angstroms
sigma value = 13


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

Energy: 1.3250257232391949
Energy: 0.7429618365610794
Energy: 1.1399576814508041
Energy: 0.7755993786468914
Energy: 1.4539947470766057
Energy: 0.7655708480901748
Energy: 0.9642330192386654
Energy: 0.7655708481040847
Energy: 1.464219098268835
Energy: 1.0244258710528062
Energy: 0.9545856222503093
Energy: 1.0244258710491458
Energy: 1.126090416549567
Energy: 1.1505627172680315
Energy: 0.9621745959084848
Energy: 1.1505627172694954
Energy: 1.1492506451388405
Energy: 0.9976419753061756
Energy: 1.2990104455013323
Energy: 0.9976419438988661
Energy: 0.9536818501482809
Energy: 0.7640567751470603
Energy: 1.2599924503043245
Energy: 0.764056776107915
Energy: 0.9608893134913458
Energy: 0.7614926252433608
Energy: 1.1400768447706846
Energy: 0.7614926260110063
Energy: 0.9545984870787371
Energy: 0.7567649881554027
Energy: 1.568589599926739
Energy: 0.7567649883500096
Energy: 0.7759178737957906
Energy: 0.761613857814824
Energy: 1.590711964633399
Energy: 0.7616138578184847
Energy: 0.7631677854614809
Energy: 0.7652821565825364
Energy: 1.1423200547975543
Energy: 0.7652821565891252
Energy: 0.774144305144179
Energy: 0.7610897647482897
Energy: 1.4318822647686527
Energy: 0.7610897635503661
Energy: 1.3151543773019818
Energy: 1.1182164002112236
Energy: 1.153140335632407
Energy: 1.1182164003875945
Energy: 1.3034812663133049
Energy: 1.2517587735173308
Energy: 1.3036354591991628
Energy: 1.2517587735078133
Energy: 1.3039487345498004
Energy: 1.0113113821402677
Energy: 1.1380607661136106
Energy: 1.011311382309983
Energy: 1.5919509636143057
Energy: 0.7565096273350689
Energy: 1.1793261400500388
Energy: 0.7565096273731383
Energy: 1.6058794070169053
Energy: 0.7506259717514907
Energy: 0.7847391813431107
Energy: 0.7506259716643703
Energy: 1.4281243167614361
Energy: 0.7674905208533929
Energy: 0.772814977803895
Energy: 0.767490520854125
Energy: 1.3529137637503827
Energy: 0.7567754952315849
Energy: 0.7534898683306372
Energy: 0.7567754952301207
Energy: 1.7322659973161265
Energy: 0.7719615469640124
Energy: 0.9478750760787412
Energy: 0.7719615469566914
Energy: 1.2944185988567936
Energy: 0.7663558127318473
Energy: 0.970795517281012
Energy: 0.7663558127289188
Energy: 1.2242200893157533
Energy: 1.0447739761851826
Energy: 0.9816047829003631
Energy: 1.0447739762049495
Energy: 1.3641720237507973
Energy: 0.8054168561185053
Energy: 1.274398533256895
Energy: 0.805416856490215
Energy: 0.9599574311925795
Energy: 0.7744078250643158
Energy: 1.27596034402129
Energy: 0.7744078939218636
Energy: 0.7587783383463602
Energy: 0.7680290911196904
Energy: 1.1314556842370533
Energy: 0.7680290914650443
Energy: 0.9496478366973508
Energy: 0.7354834799008058
Energy: 1.559228459846632
Energy: 0.7354834799030021
Energy: 0.7544981526072034
Energy: 0.7366744008719499
Energy: 1.5593098875480165
Energy: 0.7366744008778067
Energy: 0.773488839899846
Energy: 0.7613275966461892
Energy: 1.2857229183081502
Energy: 0.7613275966483856
Energy: 0.7843070017198679
Energy: 0.7737959509099686
Energy: 1.4241235013647229
Energy: 0.773795950878488
Energy: 1.3338496433754334
Energy: 0.7462567190779243
Energy: 1.1108859227005274
Energy: 0.7462567591268028
Energy: 0.9412691761635681
Energy: 1.2338557829981176
Energy: 1.311074888848815
Energy: 1.2338557829937251
Energy: 1.2963419026154648
Energy: 1.3207982349170428
Energy: 1.2172173389085483
Energy: 1.3207982349214353
Energy: 1.597596287665464
Energy: 0.7541999346847742
Energy: 1.1536734853775192
Energy: 0.7541999346796494
Energy: 1.601269628385401
Energy: 0.750011909426133
Energy: 0.7725536815768417
Energy: 0.7500119094122896
Energy: 1.4708206949834144
Energy: 0.7632846166333611
Energy: 0.7636358004145098
Energy: 0.7632846166355575
Energy: 1.736062771363025
Energy: 0.7493730035842847
Energy: 0.7579437245850343
Energy: 0.7493730035813562

minimum gb energy = 0.7354834799008058 eV
minimum distance =  2.26894800490128 Angstroms
sigma value = 37


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

Energy: 1.4504257297306624
Energy: 0.5500152802651769
Energy: 0.902889643132964
Energy: 0.5347295924526552
Energy: 1.3315587861835911
Energy: 0.4879929570283642
Energy: 0.7782454579437567
Energy: 0.4879929877492925
Energy: -1.7517948840394189
Energy: 0.8041291307654768
Energy: 0.7827110269307748
Energy: 0.8041291307780724
Energy: 1.0697836304652895
Energy: 0.6000189863914492
Energy: 0.7897367388778109
Energy: 0.6000200651887563
Energy: 1.0825294786370936
Energy: 0.8426573162863792
Energy: 0.8120595509596434
Energy: 0.8426573162863792
Energy: 0.6715474208233413
Energy: 0.8144712420629439
Energy: 1.0661008711687494
Energy: 0.8144712136548277
Energy: 0.4883662268599111
Energy: 0.49977762404316733
Energy: 1.0786121288168538
Energy: 0.49977762403686954
Energy: 0.5206938278788126
Energy: 0.5012149559922517
Energy: 1.3391068978091754
Energy: 0.5012149559846945
Energy: 0.47801912602775926
Energy: 0.49619902818838124
Energy: -1.605275459161867
Energy: 0.4961990281820834
Energy: 0.516941339396918
Energy: 0.48504070123147675
Energy: 1.376918905041653
Energy: 0.4850407003249934
Energy: 0.9028896431216279
Energy: 0.5347295936184936
Energy: 1.4504257297306624
Energy: 0.5500152802639173
Energy: 0.7782454579424971
Energy: 0.48799289570994464
Energy: 1.1975602257302378
Energy: 0.4879929660982073
Energy: 0.7827110269307748
Energy: 0.8041291308107923
Energy: -1.8804598008277944
Energy: 0.8041291308611461
Energy: 0.7897367388551675
Energy: 0.6000205334292545
Energy: 1.0697836208326517
Energy: 0.6000206224797208
Energy: 0.8120595509596434
Energy: 0.8426573162876386
Energy: 1.082529474868887
Energy: 0.8426573162876386
Energy: 1.2033312512737493
Energy: 0.8144713205957301
Energy: 0.5168358704631941
Energy: 0.8144713542035156
Energy: 1.0786121288181134
Energy: 0.49977762432141587
Energy: 0.4883662268599111
Energy: 0.49977762435161677
Energy: 1.3391068978053966
Energy: 0.5012149559935115
Energy: 0.520693827880072
Energy: 0.501214955994771
Energy: -1.6594485041112799
Energy: 0.49619902819467904
Energy: 0.47801912358151954
Energy: 0.4961990281959386
Energy: 1.331588336449927
Energy: 0.4850407131945034
Energy: 0.516941339396918
Energy: 0.48504070654948755

minimum gb energy = -1.8804598008277944 eV
minimum distance =  2.3177958140883 Angstroms
sigma value = 25


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

Energy: 1.8216881067078994
Energy: 0.38558029356753964
Energy: 0.367957971227319
Energy: 0.33168710376248567
Energy: 1.226874248775701
Energy: 0.32482958820925745
Energy: 0.5776893682417118
Energy: 0.32482958822991204
Energy: -2.4017776777105526
Energy: -2.9123330259764675
Energy: 0.5501926304960132
Energy: -3.0943273829342717
Energy: 0.8159903925876828
Energy: -2.7654354223662914
Energy: 0.8253217669970401
Energy: -2.768102872600466
Energy: 1.625237943657843
Energy: 0.64863270815275
Energy: -2.600637760046048
Energy: 0.6486327081606184
Energy: -2.820060352073711
Energy: -2.781289140079394
Energy: -2.646289585073762
Energy: -2.7813076964805283
Energy: 1.0722621219985102
Energy: 1.2001183548782157
Energy: 1.0107720555247577
Energy: 1.2001183548782157
Energy: 0.8482999300494077
Energy: 0.6242761751295798
Energy: 1.0277945774021011
Energy: 0.6242761754766397
Energy: 0.5463773548194738
Energy: 0.3013113725691728
Energy: 1.588504439105903
Energy: 0.3013113727402215
Energy: 0.5661719485605856
Energy: -2.8882667155998933
Energy: -2.243406516136968
Energy: -2.857950546814974
Energy: 0.37031065939637525
Energy: 0.3345187869171428
Energy: 1.1089038361954524
Energy: 0.33451878692304415
Energy: 0.30341304062868957
Energy: 0.32898705978812726
Energy: -2.317757050426283
Energy: 0.3289870597871437
Energy: 0.33108233263653275
Energy: 0.33426362326115217
Energy: 1.2337570255734374
Energy: 0.33426362326213566
Energy: 0.6304798460925075
Energy: 0.31620170299257183
Energy: 1.2402547064787914
Energy: 0.3162017054651325
Energy: 0.5574486059123771
Energy: 0.3394943202681288
Energy: -2.3223247129669358
Energy: 0.3394943206466175
Energy: 0.575983967918075
Energy: 0.6003749724840292
Energy: -2.4162429074381824
Energy: 0.6003749724879633
Energy: 1.3691230995849828
Energy: 0.6408941562013136
Energy: -2.3423718031502667
Energy: 0.6408941560725129
Energy: 0.5744862503751123
Energy: -2.740803904947421
Energy: 1.0609623316868835
Energy: -2.904800479699237
Energy: -2.5463945873900102
Energy: -2.778790153903771
Energy: 0.7782061377807502
Energy: -2.7787897870050813
Energy: 1.6061104833628828
Energy: 1.204965829424505
Energy: 1.0821039081310178
Energy: 1.204965829424505
Energy: 1.4928614917328142
Energy: 0.6564525838828567
Energy: 0.569736335657651
Energy: 0.6564525838258555
Energy: -2.4529213349043113
Energy: 0.5922332909468596
Energy: 0.3176503610963271
Energy: 0.5922332909458761
Energy: 1.7561463741544874
Energy: 0.31275732986655663
Energy: 0.5648209012562792
Energy: 0.3127573298626224
Energy: 1.052395697304582
Energy: 0.33466651010291687
Energy: 0.3309431525715289
Energy: 0.3346665100232492
Energy: -2.2674705753237148
Energy: 0.3273369536182848
Energy: 0.32735666111591716
Energy: 0.32733695360455983
Energy: -2.307393796151616
Energy: 0.32685437441304716
Energy: 0.3375418460209887
Energy: 0.32685437441403076

minimum gb energy = -3.0943273829342717 eV
minimum distance =  2.3353246143542 Angstroms
sigma value = 41


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

Energy: -2.934572880595438
Energy: 0.21648629304663938
Energy: 0.8666495240961589
Energy: 0.17404845001044694
Energy: 1.7753368853713185
Energy: 0.1800219001613857
Energy: 0.6835262182602287
Energy: 0.18223697192334565
Energy: 1.7345588637832114
Energy: -3.6757334483159494
Energy: 0.35925373996066995
Energy: -3.6758256284629076
Energy: 1.2369438717937764
Energy: 0.8044563197894231
Energy: 1.1633315867242022
Energy: 0.8044563197886168
Energy: 1.5664391650579872
Energy: 0.7821112614166079
Energy: 1.1069336025027745
Energy: 0.7821112614174143
Energy: 1.309603471739926
Energy: 1.0640502756444614
Energy: 1.1144528191106609
Energy: 1.0640502756444614
Energy: 1.2870159121908205
Energy: 1.0996656248351713
Energy: 1.5550188902197952
Energy: 1.0996656248359777
Energy: 1.3931537233839206
Energy: 1.0841194331056956
Energy: 1.0639935562046974
Energy: 1.084119433106502
Energy: 0.8807325148323307
Energy: 1.059373826766172
Energy: 1.5207174401716932
Energy: 1.0593738267653658
Energy: 0.8822829096004935
Energy: 1.0231376597762918
Energy: 1.7967910428918177
Energy: 1.0231376597762918
Energy: 0.3972189291775874
Energy: -3.458776095037701
Energy: 1.4364604978012923
Energy: -3.458776102160277
Energy: 0.6620552498703302
Energy: 0.7292292995245244
Energy: 1.747423499706675
Energy: 0.7292292994721115
Energy: 0.6528610005412496
Energy: 0.19025205425340494
Energy: 1.8664927559228166
Energy: 0.19025205367627718
Energy: 0.2141142809879402
Energy: 0.19235927252416174
Energy: 1.3957371347678311
Energy: 0.1923592723508695
Energy: 0.17829736280194108
Energy: 0.17231631107516057
Energy: 1.7318195233252938
Energy: 0.17231631109766513
Energy: 0.19314166428135557
Energy: 0.17523853726195238
Energy: 1.6361052543598082
Energy: 0.17523853726517782
Energy: 0.41216984194946554
Energy: 0.20792213787857083
Energy: 1.6172047471948119
Energy: 0.20792212844037344
Energy: 0.6650894324379147
Energy: 0.6959963942144527
Energy: 1.8080550971556197
Energy: 0.6959963942136466
Energy: 0.6809058334650484
Energy: 0.7228743241738063
Energy: 1.2259228521208863
Energy: 0.7228743241319493
Energy: 1.1337745966046253
Energy: 0.9989029812853236
Energy: 1.236819073281139
Energy: 0.9989029812853236
Energy: 1.0872137066852439
Energy: 1.054623810665122
Energy: 1.5575225445720065
Energy: 1.0546238106635093
Energy: 1.1117997712695735
Energy: 1.0636920535085606
Energy: 1.2777741380988734
Energy: 1.0636920535085606
Energy: 1.5326151383342639
Energy: 1.093163862065116
Energy: 1.3070366056247484
Energy: 1.0931638620643098
Energy: 1.0619469733387807
Energy: 1.091661196292081
Energy: 1.116737677581446
Energy: 1.0916611962928875
Energy: 1.5705301601236141
Energy: 1.0374247879647336
Energy: 0.8720899734145275
Energy: 1.0374247879647336
Energy: 1.4869800527741628
Energy: 1.027215250984306
Energy: 1.1403262992857077
Energy: 1.0272152509834998
Energy: 1.4334122314060669
Energy: 0.4335501641817406
Energy: 0.3713055284110141
Energy: 0.4335501641817406
Energy: 1.7636349728493876
Energy: 0.18903149211621367
Energy: 0.6706085967054465
Energy: 0.1890314925345635
Energy: 1.39869258714577
Energy: 0.1705535048497836
Energy: 0.40445057572461
Energy: 0.17055211160623915
Energy: 1.391897142675824
Energy: 0.17288271057657814
Energy: 0.1783732559840859
Energy: 0.17288271058786706
Energy: 1.7532755183279365
Energy: 0.42525484538762265
Energy: 0.174987224574816
Energy: 0.425254845388429
Energy: 1.6051877249272102
Energy: 0.19263793072571764
Energy: 0.2106311201813208
Energy: 0.19263793058387313

minimum gb energy = -3.6758256284629076 eV
minimum distance =  2.30257336745906 Angstroms
sigma value = 15


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

Energy: 1.3417594411804958
Energy: 0.10553980202546917
Energy: 0.8825027367448641
Energy: 0.36790758318024336
Energy: 1.8169413250160054
Energy: 0.36138430646075176
Energy: 0.5754231651540673
Energy: 0.3613843064949064
Energy: 1.8133587506966553
Energy: 0.625109862526776
Energy: 0.5551349992025247
Energy: 0.625109862517958
Energy: 1.407434163211644
Energy: 0.6386137892606102
Energy: 0.9925082168015135
Energy: 0.6386137894169766
Energy: 1.7222712173772663
Energy: 0.6382594424979855
Energy: 0.9251144789310849
Energy: 0.638259442088316
Energy: 1.466186811581106
Energy: 0.9326537676596875
Energy: 0.9323299502297535
Energy: 0.9326537676610537
Energy: 1.041066683912162
Energy: 0.9651099345227856
Energy: 1.3162432359604432
Energy: 0.9651099345214194
Energy: 1.300731339140934
Energy: 0.9905553886498087
Energy: 0.8847817259987959
Energy: 0.9905553886518581
Energy: 1.0947398764040128
Energy: 1.0000006216156072
Energy: 1.3282692764608792
Energy: 1.0000006216156072
Energy: 1.0930693560568518
Energy: 0.9772076697521693
Energy: 1.7003488937720952
Energy: 0.9772076697521693
Energy: 1.0140747089723996
Energy: 0.9637853579488159
Energy: 1.2258104215514654
Energy: 0.9637853579474498
Energy: 0.7338023275500926
Energy: 0.9125864429773174
Energy: 1.6690537413097397
Energy: 0.9125864429786834
Energy: 0.9490657934611298
Energy: 0.8694274862469108
Energy: 1.6262430745689664
Energy: 0.8694274862455444
Energy: 0.5717817702078157
Energy: 0.627245899834692
Energy: 1.1712140348070041
Energy: 0.627245899665347
Energy: 0.5582267495074326
Energy: 0.6410291283687066
Energy: 1.8580270601725357
Energy: 0.6410291283673405
Energy: 0.5786988380259092
Energy: 0.3583675027985384
Energy: 1.5734716502043675
Energy: 0.358367666672861
Energy: 0.3622185050854145
Energy: 0.34829439791070743
Energy: 1.55465586343742
Energy: 0.34829439790729194
Energy: 0.3674092019487179
Energy: 0.34257408816974577
Energy: 1.8350357590547919
Energy: 0.34257408817247814
Energy: 0.37493524789265326
Energy: 0.34596992035486934
Energy: 1.3316724590686015
Energy: 0.34596992085812267
Energy: 0.56980875064738
Energy: 0.36361230627837987
Energy: 1.7494611436026537
Energy: 0.36361230634184544
Energy: 0.5566096878004354
Energy: 0.36726368973161505
Energy: 1.8679778728110337
Energy: 0.36726368429934897
Energy: 0.5657605206388477
Energy: 0.6052840270716802
Energy: 1.3956517050133244
Energy: 0.6052840255538475
Energy: 0.9462959363125999
Energy: 0.6525933216922958
Energy: 1.4033036481575227
Energy: 0.6525933215870995
Energy: 0.9477159672014247
Energy: 0.9248092094070502
Energy: 1.7527846624370114
Energy: 0.9248092094070502
Energy: 0.9419279327891985
Energy: 0.9663084552318092
Energy: 1.0334466188459352
Energy: 0.9663084552324924
Energy: 1.306688452812186
Energy: 0.9901960809595644
Energy: 1.6652530835260346
Energy: 0.9901960809581981
Energy: 0.8910957511329352
Energy: 0.9825828923062733
Energy: 1.3284616731291536
Energy: 0.9825828923062733
Energy: 1.420553016950591
Energy: 0.9624249954706412
Energy: 1.0799923232953486
Energy: 0.9624249954747398
Energy: 1.25336737894138
Energy: 0.970606527781346
Energy: 1.3704349429291058
Energy: 0.970606527781346
Energy: 1.2417268898706946
Energy: 0.963455128445372
Energy: 0.9351330925207254
Energy: 0.9634551284440056
Energy: 1.6868460654039354
Energy: 0.8895840848445379
Energy: 0.7331505099306685
Energy: 0.8895840848438546
Energy: 1.1849775187293883
Energy: 0.8337595195479217
Energy: 0.9896882958794895
Energy: 0.8337595195479217
Energy: 1.6301772596633068
Energy: 0.6353448188698307
Energy: 0.5657363363092489
Energy: 0.6353448188705139
Energy: 1.889077715531144
Energy: 0.352085997836569
Energy: 0.5657961010642679
Energy: 0.3520859978406676
Energy: 1.526162601392845
Energy: 0.08224314847588501
Energy: 0.39211006050780706
Energy: 0.08224314750564454
Energy: 1.9042874837016723
Energy: 0.35271292779626123
Energy: 0.37871978403236023
Energy: 0.35271292780445834
Energy: 1.782986375912142
Energy: 0.3560358405707565
Energy: 0.3597593930938403
Energy: 0.3560358405775874

minimum gb energy = 0.08224314750564454 eV
minimum distance =  2.30788902879924 Angstroms
sigma value = 85


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

Energy: 1.366176720984671
Energy: 0.1749094897316833
Energy: 0.7433477434626908
Energy: 0.17617558793485982
Energy: 1.638144110275908
Energy: 0.190251745616564
Energy: 0.3544090033294187
Energy: 0.1902517330042124
Energy: -1.57963876751152
Energy: 0.3930403777671206
Energy: 0.3419837811442969
Energy: 0.3930403777434497
Energy: 1.0394925928812597
Energy: 0.4022545772892061
Energy: 0.7155616303044173
Energy: 0.40225457708610424
Energy: 1.5147558437541966
Energy: 0.43083880749634557
Energy: -2.2269388080451966
Energy: 0.43083880748923614
Energy: -1.8714431622264567
Energy: -2.3528000379503284
Energy: 0.630947361762151
Energy: -2.32080397068674
Energy: 1.0390107840720597
Energy: -2.13588983896248
Energy: -1.799654630642908
Energy: -2.135869506118971
Energy: 1.217510308024159
Energy: -2.166501427187823
Energy: 0.6248020554252441
Energy: -2.166501716452312
Energy: -1.8038573552649628
Energy: -2.1640107949875076
Energy: -1.8632130938181786
Energy: -2.1640107697195825
Energy: 1.0458074974332785
Energy: -2.2061883788917553
Energy: -1.6389330727924176
Energy: -2.206696565090927
Energy: 0.9408770913899841
Energy: -2.103801019475223
Energy: 0.8999375604899197
Energy: -2.105202490412236
Energy: 0.7573534898372672
Energy: -2.149059674336614
Energy: -1.6524362912167325
Energy: -2.149059675444007
Energy: 0.9192120293366545
Energy: -2.172151196000444
Energy: -1.7054377183108873
Energy: -2.172154234002962
Energy: 0.6480149321578701
Energy: -2.122215258696778
Energy: 0.8936210109375267
Energy: -2.1222193741480773
Energy: 0.48505648350011704
Energy: 0.5917930698615405
Energy: -1.483434934643915
Energy: 0.591793069860948
Energy: 0.6435588447697055
Energy: -2.3118638001411402
Energy: -1.6240552562125956
Energy: -2.2990187965319953
Energy: 0.34544360981837274
Energy: 0.3825346462918656
Energy: -1.625137969489972
Energy: 0.38253577949601525
Energy: 0.34408210952347446
Energy: 0.17918584625234418
Energy: -1.2507238589620908
Energy: 0.17918584626656292
Energy: 0.3761343831986595
Energy: 0.18760538431016321
Energy: -1.3575135320235672
Energy: 0.18760538401644375
Energy: 0.215307642330341
Energy: 0.18243717001495882
Energy: -1.4195803985758602
Energy: 0.1824371699433265
Energy: 0.2013536125398507
Energy: 0.18300151004445075
Energy: -1.3291726049032588
Energy: 0.18300150971639625
Energy: 0.1839583085453346
Energy: 0.15869785159420138
Energy: 1.3196881203444495
Energy: 0.1586978812022372
Energy: 0.3621437584778944
Energy: 0.19202027175409817
Energy: -1.3183281211227613
Energy: 0.1920202722124373
Energy: 0.33324562632888644
Energy: 0.17112263354917495
Energy: -1.2755349720051488
Energy: 0.1711226333046017
Energy: 0.3679893895667728
Energy: 0.40240395778507443
Energy: 1.0506898569379384
Energy: 0.40240395814926827
Energy: 0.6215317602714275
Energy: 0.4183441333652688
Energy: 1.6685783449209388
Energy: 0.4183441325160758
Energy: 0.628061232852804
Energy: -2.237341992020326
Energy: -1.582445062143776
Energy: -2.236652399368079
Energy: 0.8018376945509443
Energy: -2.08612437376395
Energy: 1.036917121968981
Energy: -2.125644342369076
Energy: 0.9023763348470467
Energy: -2.2241966754672227
Energy: 1.3771345461536937
Energy: -2.2823033977441787
Energy: 0.8877728539574564
Energy: -2.236210381727554
Energy: -1.904866980137309
Energy: -2.251373832878616
Energy: -1.5771298555680515
Energy: -2.1132255257238253
Energy: 0.7643320606777786
Energy: -2.113225527875838
Energy: 0.8893221918294858
Energy: -2.201760187322153
Energy: 1.1171365323066451
Energy: -2.150159235212755
Energy: -1.7932011983743465
Energy: -2.1921965869345934
Energy: 0.7642054063442736
Energy: -2.1921959322364626
Energy: -1.4982546544447501
Energy: -2.344535658759012
Energy: -2.1424353533017695
Energy: -2.328007067597512
Energy: 0.9020092188640754
Energy: -2.089068231107461
Energy: 0.8103981773966854
Energy: -2.126385524449096
Energy: -1.4541157784102559
Energy: -2.2761623595066474
Energy: 0.6401048740298464
Energy: -2.2413596544740937
Energy: -1.4358151801071655
Energy: 0.4131712341739242
Energy: -2.17252932565804
Energy: 0.4131712340797519
Energy: 1.1750872727004322
Energy: 0.3976702684962356
Energy: 0.35657191616411854
Energy: 0.3976701202096251
Energy: -1.2879429266004514
Energy: 0.17501690658056113
Energy: 0.34797508526933485
Energy: 0.17504058622960061
Energy: -1.4695558307805483
Energy: 0.16961944953405117
Energy: 0.35507821971265086
Energy: 0.1696194708331415
Energy: 1.1928645127503064
Energy: 0.17882850341122697
Energy: 0.1967106506363182
Energy: 0.17882850675586404
Energy: -1.302527630018606
Energy: 0.18567482962725815
Energy: 0.20452784470242089
Energy: 0.18567482962725815
Energy: -1.4641273153102015
Energy: 0.17319318071884085
Energy: 0.20539325466916095
Energy: 0.17319318076445933

minimum gb energy = -2.3528000379503284 eV
minimum distance =  2.31694429852945 Angstroms
sigma value = 113


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

Energy: 0.018936181644265842
Energy: 0.20164857871851755
Energy: 1.2757989471632503
Energy: -0.1957728262253597
Energy: -0.012082103615007682
Energy: 0.07446483853772702
Energy: -2.5278599016121848
Energy: 0.074464838544002
Energy: -0.036616854754568565
Energy: 0.0876737359231288
Energy: -2.539368941593716
Energy: 0.08767373592267334
Energy: -0.009840361753599858
Energy: 0.12698997498481548
Energy: -2.404174370854546
Energy: 0.12698997498390463
Energy: -2.4649469288108086
Energy: 0.09324970441284701
Energy: -2.482967839665032
Energy: 0.09324970441330245
Energy: -0.05854569090447867
Energy: -3.432863046153944
Energy: -2.4974415004624118
Energy: -3.432863046143671

minimum gb energy = -3.432863046153944 eV
minimum distance =  2.39450957894712 Angstroms
sigma value = 1