Model name: model_name=Sim_LAMMPS_EAM_BonnyPasianotTerentyev_2011_FeCr__SM_237089298463_000
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=3.6583647802472123
cohesive_energy=4.00235933893852
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.015087045844457834
Energy: 0.015963261836307214
Energy: 0.015471198808787945
Energy: 0.015963261836885623
Energy: 0.015963261836885623
Energy: 1.0704112909139891
Energy: 0.015963261836307214
Energy: 1.0704112909146015
Energy: 0.0154711988075971
Energy: 0.015963261836307214
Energy: 0.015087045844457834
Energy: 0.015963261836307214
Energy: 0.015963261836307214
Energy: 1.0704112909139891
Energy: 0.015963261836307214
Energy: 1.0704112909146015

minimum gb energy = 0.015087045844457834 eV
minimum distance =  2.49992248349447 Angstroms
sigma value = 1


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

Energy: -2.5081502409869385
Energy: 0.6859200122541402
Energy: 0.18148043309099485
Energy: 0.6859200122533974
Energy: -2.150052559320304
Energy: -2.0948870006454268
Energy: -2.5561002458671527
Energy: -2.2715011448504234
Energy: -1.2231809384965762
Energy: 0.6551995026114692
Energy: -2.4301095198566443
Energy: 0.6551995026122119
Energy: -2.079868852474579
Energy: 0.6167554518476978
Energy: -2.481015677469445
Energy: 0.6167554518469549
Energy: -2.207985045691654
Energy: 0.6772179800788727
Energy: -2.3235808841044836
Energy: 0.6772179800788727
Energy: -2.4795004782109893
Energy: 0.8469208536855302
Energy: -2.0515432601041312
Energy: 0.8469208536833019
Energy: -2.571869965654574
Energy: 0.6451291263578468
Energy: -2.399963233533601
Energy: 0.6451291267253062
Energy: -2.1181320355189186
Energy: 0.6752976500043676
Energy: -1.8890728290792271
Energy: 0.6752976500036247
Energy: -2.3137794793315436
Energy: -2.5137292909337665
Energy: -2.4203340131620243
Energy: -2.4532648888850512
Energy: -2.152655322806991
Energy: 0.6684327896845896
Energy: -2.0271083677233737
Energy: 0.6684327896845896
Energy: -2.669975617868807
Energy: -2.168967888562529
Energy: -2.390715048251953
Energy: -2.3069572620204775
Energy: -2.061462551096439
Energy: 0.6852103145357173
Energy: -2.3779671152463457
Energy: 0.6852103145357173
Energy: -2.3784448607772166
Energy: 0.6554968105598283
Energy: -2.5765836856186266
Energy: 0.6554968105605712
Energy: -2.472755844946901
Energy: 0.6634420686462915
Energy: -2.501128297409666
Energy: 0.6634420686462915
Energy: -2.2428723323081647
Energy: 0.6772677810582672
Energy: -2.536992568324871
Energy: 0.6772677810582672
Energy: -2.169752519395466
Energy: 0.6815015652889589
Energy: -2.324410874200677
Energy: 0.6815015652897016
Energy: -2.4773561434759612
Energy: 0.6542580050935024
Energy: -2.2695408834771933
Energy: 0.6542580050935024
Energy: -2.632902780363021
Energy: -2.0443865093687177
Energy: -2.6639752781999726
Energy: -2.0509997213857654
Energy: 0.12853341443006408
Energy: 0.6867496051111556
Energy: -2.6538499950995376
Energy: 0.6867496051104128
Energy: -2.4923319778606943
Energy: -2.428407053318694
Energy: -2.546864962695268
Energy: -2.44292383783557
Energy: -2.0594083282973106
Energy: 0.6541466509574538
Energy: -1.8368289986340551
Energy: 0.6541466509581967
Energy: -2.5795132795073434
Energy: -2.6560479634613943
Energy: -2.200545296433561
Energy: -2.5825089484592625
Energy: -2.3052296079035814
Energy: 0.676468509903432
Energy: -2.3381994213275497
Energy: 0.676468509903432
Energy: -2.0170398580909765
Energy: 0.6553333237268223
Energy: -2.4138064087148745
Energy: 0.6553333237268223
Energy: -3.5607024464707973
Energy: 0.8492278843013179
Energy: -2.5155304877984426
Energy: 0.8492278843013179
Energy: -2.165602192331301
Energy: 0.6752615228285871
Energy: -2.2831816534916953
Energy: 0.6752615228300725
Energy: -2.0220181628484046
Energy: 0.832335959795675
Energy: -2.4607869692714117
Energy: 0.8323359597964176
Energy: -1.9741461903523339
Energy: 0.666562091712255
Energy: -2.2598106021937228
Energy: 0.6665620917115123
Energy: -2.4294771919403826
Energy: -2.25172779625704
Energy: -2.3195294653463474
Energy: -2.131656823806686
Energy: -2.825666844066084
Energy: 0.6863494582338737
Energy: -2.0541854954888925
Energy: 0.6863494582338737
Energy: -1.8676654670039616
Energy: 0.6699847694122972
Energy: -2.441506805037569
Energy: 0.6699847694145256
Energy: -2.196879788954895
Energy: 0.658592666562077
Energy: -2.418359241486472
Energy: 0.658592666562077
Energy: -2.1874237787662953
Energy: 0.6878295066473894
Energy: -2.4893706978161063
Energy: 0.6878295066473894

minimum gb energy = -3.5607024464707973 eV
minimum distance =  2.2392757496043 Angstroms
sigma value = 1


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

Energy: -1.8356623024236236
Energy: 0.7597424619382128
Energy: 0.3135048686765836
Energy: 0.7597424619382128
Energy: -1.6101600736851625
Energy: 0.6653374451169098
Energy: -1.6573840802384348
Energy: 0.6653374451177568
Energy: -1.4077320495267858
Energy: 0.7618166099481914
Energy: -1.9105652908347759
Energy: 0.7618166099481914
Energy: -1.7383705441860726
Energy: 0.7454197369018254
Energy: -1.8412724989426232
Energy: 0.7454197369018254
Energy: -1.8457708409078406
Energy: 0.7332112433822471
Energy: -1.7441309181324776
Energy: 0.7332112433822471
Energy: -1.8303901027220446
Energy: 0.7333849832912612
Energy: -1.8548574150726493
Energy: 0.7333849832921082
Energy: -1.2431463140322054
Energy: -1.7241021009296906
Energy: -1.6790567551718703
Energy: -1.7700395426435946
Energy: 0.22695591714023433
Energy: 0.7617845288801415
Energy: -1.333173654168769
Energy: 0.7617845288801415
Energy: -1.6114050187035465
Energy: 0.8344714478036016
Energy: -1.8376205439938367
Energy: 0.8344714478332035
Energy: -1.7537572296315846
Energy: 0.762326659311908
Energy: -1.253688029929841
Energy: 0.7623266593110611
Energy: -1.6937998066941256
Energy: 0.6616309735769124
Energy: -1.9344228468969926
Energy: 0.6616309736031654
Energy: -1.4087129611098348
Energy: 0.7472806434202717
Energy: -1.824502294876189
Energy: 0.7472806434219655
Energy: -2.0584618701292388
Energy: 0.736368015118637
Energy: -1.8309588707089026
Energy: 0.736368015118637
Energy: -1.9540526808376137
Energy: 0.7359449969286895
Energy: -1.5914863412187408
Energy: 0.7359449969303832
Energy: -1.4525234592855654
Energy: 0.7475588100747383
Energy: -1.6662105301748265
Energy: 0.7475588100747383
Energy: -2.0180984786702196
Energy: 0.6651201793117735
Energy: -1.6632005917700412
Energy: 0.6651201793126204
Energy: -1.158420567542626
Energy: 0.7614463164850945
Energy: 0.2845095882876419
Energy: 0.7614463164850945
Energy: -1.7963985147965027
Energy: -1.786999872463099
Energy: -1.7894595865608118
Energy: -1.9698736368732033
Energy: 0.2280361442858604
Energy: 0.7614272673095401
Energy: -1.55945380251351
Energy: 0.7614272673095401
Energy: -1.8137432332938912
Energy: -1.868337630875951
Energy: -1.7990689853407469
Energy: -1.804898554017342
Energy: -1.81485681193974
Energy: 0.733018158383911
Energy: -1.65501302568604
Energy: 0.733018158383911
Energy: -1.7518302943782547
Energy: 0.7334769605841952
Energy: -1.8393453686633168
Energy: 0.7334769605850422
Energy: -1.6292543754071278
Energy: 0.7430532800518913
Energy: -1.5081882774026332
Energy: 0.7430532800501976
Energy: -1.5577418513263017
Energy: 0.7615580889973487
Energy: -1.6810227600223053
Energy: 0.7615580889981957
Energy: -1.721387199512048
Energy: 0.6737422619054101
Energy: -1.662030481811559
Energy: 0.6737422619054101
Energy: -2.02308822790285
Energy: 0.7597424619382128
Energy: 0.33194039307453493
Energy: 0.7597424619382128
Energy: -1.7892083515560568
Energy: 0.6653374451406222
Energy: -1.687922027566551
Energy: 0.6653374451406222
Energy: -1.5354323025415397
Energy: 0.7618166099481914
Energy: -1.6562224325696469
Energy: 0.7618166099481914
Energy: -1.5859179739198426
Energy: 0.7454197369009786
Energy: -1.9735687185700013
Energy: 0.7454197369009786

minimum gb energy = -2.0584618701292388 eV
minimum distance =  2.23479947639956 Angstroms
sigma value = 25


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

Energy: -1.2780830136274173
Energy: 0.8192925018983329
Energy: 0.3613566869562672
Energy: 0.8192925018983329
Energy: -1.3308776085387872
Energy: 0.6434510742138435
Energy: -1.4517531306298932
Energy: 0.6434510741990767
Energy: -0.9483213154560535
Energy: 0.8610576891114695
Energy: -1.027984974909036
Energy: 0.8610576891114695
Energy: -0.9488927209716893
Energy: 0.8501149331234326
Energy: -1.062634195297671
Energy: 0.8501149331234326
Energy: -1.2427750948023732
Energy: 0.832620676798749
Energy: -1.0212790789001567
Energy: 0.832620676798749
Energy: -1.4175226571190385
Energy: 0.8629480382448084
Energy: -1.0631872859905098
Energy: 0.8629480382448084
Energy: -1.3560303396139097
Energy: -1.0870031573720633
Energy: -1.4718613454004155
Energy: -0.9942571965028101
Energy: -1.6295745863777273
Energy: 0.8208131541844427
Energy: -1.09044010634534
Energy: 0.8208131541834582
Energy: -1.515689455821291
Energy: 0.7412416964531623
Energy: -1.2578416513690367
Energy: 0.7412416964531623
Energy: -1.0722532014570003
Energy: 0.8632769046112139
Energy: -1.0168317574165244
Energy: 0.8632769046102294
Energy: -1.0226383706823203
Energy: 0.8388511704104538
Energy: -1.1509645665761792
Energy: 0.8388511704104538
Energy: -1.2292385594087734
Energy: 0.8280337232613615
Energy: -1.2324892106539294
Energy: 0.8280337232623459
Energy: -1.1149198167809127
Energy: 0.841325385082168
Energy: -0.9214792392992628
Energy: 0.8413253850841369
Energy: 0.3134016926571241
Energy: -1.1092457183581192
Energy: -1.1753104069518552
Energy: -1.2634381304373319
Energy: -1.100721784188163
Energy: 0.8262492801923133
Energy: -1.1247428042426302
Energy: 0.8262492801923133
Energy: -1.454360415358248
Energy: -1.3329078257395512
Energy: -1.1138639067403513
Energy: -1.403865379080824
Energy: 0.35656592069813214
Energy: 0.8611038632197284
Energy: 0.3479124043112224
Energy: 0.8611038632197284
Energy: -1.0931873775351173
Energy: 0.7019947046922789
Energy: -1.0264381285870092
Energy: 0.7019947046578228
Energy: -1.049906776906758
Energy: 0.8393821029549307
Energy: -1.1204592998161822
Energy: 0.8393821029549307
Energy: -1.1784183956846535
Energy: 0.8630432600711153
Energy: -1.084109090680292
Energy: 0.8630432600711153
Energy: -1.2321787049558117
Energy: 0.81683386231712
Energy: -1.5917337107416973
Energy: 0.81683386231712
Energy: -1.2957127779707138
Energy: 0.8194833708016283
Energy: -1.1420535157350085
Energy: 0.8194833708016283
Energy: -1.0975924118592115
Energy: 0.8195167841317164
Energy: -1.3465747975948426
Energy: 0.8195167841327008
Energy: -0.9013050086976447
Energy: 0.8607642711032292
Energy: -1.1514418444902723
Energy: 0.8607642711032292
Energy: -1.6372899908070147
Energy: -1.0586632129397904
Energy: -1.30122868268838
Energy: -1.0261856728246528

minimum gb energy = -1.6372899908070147 eV
minimum distance =  2.15276882568696 Angstroms
sigma value = 9


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

Energy: -0.49639700056856395
Energy: 0.9518427055065438
Energy: -0.4997363273644456
Energy: 0.9518427055065438
Energy: -0.8113829019057788
Energy: 0.7671428013644168
Energy: -1.0365577156391796
Energy: 0.767142886242395
Energy: -0.4435613514945964
Energy: 0.9611718881561903
Energy: -0.22645480217250485
Energy: 0.9611718881561903
Energy: -0.9138193102214521
Energy: 0.980897921987662
Energy: -0.46855950959194453
Energy: 0.980897921987662
Energy: -0.8134172599895392
Energy: 0.7341693665871522
Energy: -0.5586023271224396
Energy: -0.6267752827977513
Energy: 0.4896262520962634
Energy: 0.9560852878117488
Energy: -0.6135960833093131
Energy: 0.9560852878117488
Energy: -1.0319155707003478
Energy: -0.29636646222780816
Energy: -0.4961922628331428
Energy: -0.3712236905699594
Energy: -0.6959370696233518
Energy: 0.9548693528609936
Energy: -0.5192398698215963
Energy: 0.9548693528609936
Energy: -0.8927377867343517
Energy: 0.7645755067610406
Energy: -0.4005329653170019
Energy: 0.7645743867841661
Energy: -0.8153236211755349
Energy: 0.9535598265153434
Energy: -0.5255062460777163
Energy: 0.9535598265153434
Energy: -0.5080050377070172
Energy: 0.9275901822202463
Energy: -0.41386122870078307
Energy: 0.9275901822202463
Energy: -0.8786754566505128
Energy: -0.4778045505312563
Energy: -0.46987642139113284
Energy: -0.44285853517111473
Energy: -0.3578550786162441
Energy: 0.9555058707113845
Energy: 0.48530587110448337
Energy: 0.9555058707113845
Energy: -0.7478316959544244
Energy: -0.25485969755547677
Energy: -0.778675583003807
Energy: -0.3700529384621919
Energy: 0.47221729129414935
Energy: 0.9555304396059858
Energy: -0.4421381821234041
Energy: 0.9555304396059858
Energy: -0.6962284846379577
Energy: -0.5359630958640009
Energy: -0.3872042888122189
Energy: -0.3717084399419103
Energy: -0.47135039164193215
Energy: 0.9269461598012312
Energy: -0.2982677853870218
Energy: 0.9269461598012312
Energy: -0.6118255361984356
Energy: 0.9544733190964623
Energy: -0.5908678893415172
Energy: 0.9544733190964623
Energy: -0.736045511351476
Energy: 0.7595862265409108
Energy: -0.39110309849094116
Energy: 0.7597915769845552
Energy: -0.2916273212700347
Energy: 0.9552534581372313
Energy: -0.5444449941236714
Energy: 0.9552534581384056
Energy: -0.9368595190527442
Energy: -0.4318057365217514
Energy: -0.5961525437330141
Energy: -0.34984577398147915

minimum gb energy = -1.0365577156391796 eV
minimum distance =  2.19128641967271 Angstroms
sigma value = 25


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

Energy: 0.7757852515484547
Energy: 1.0278751027909783
Energy: 0.5754298975013057
Energy: 1.0278751027909783
Energy: 0.7405576974003033
Energy: 0.9058957979516767
Energy: 0.7060548646743853
Energy: 0.9058957979516767
Energy: 0.5940613540880799
Energy: 1.099449811535526
Energy: 0.7141226702444039
Energy: 1.0994498115369784
Energy: 0.7680891328917867
Energy: 1.019830148313001
Energy: 0.5847308405095333
Energy: 1.019830148313001
Energy: 0.5732239637731258
Energy: 0.741683294141382
Energy: 0.7454305763586193
Energy: 0.7416832941312156
Energy: 0.711346783048249
Energy: 1.090618487014929
Energy: 0.718284599894558
Energy: 1.0906184870163813
Energy: 0.7332573206908298
Energy: 0.8757751697856997
Energy: 0.7134705531807864
Energy: 0.8757751697856997
Energy: 0.5908419752780824
Energy: 1.0283569182601873
Energy: 0.7775139467352042
Energy: 1.0283569182601873
Energy: 0.7136065020387169
Energy: 0.9047672804372282
Energy: 0.7411945421903706
Energy: 0.9047672804386806
Energy: 0.6556146580261123
Energy: 0.9367244612345302
Energy: 0.713012231281154
Energy: 0.9367244612345302
Energy: 0.7125717303613145
Energy: 1.0277107594804582
Energy: -0.4184931227656533
Energy: 1.0277107594804582
Energy: 0.7086011494062361
Energy: 0.8360630170980723
Energy: 0.5919681851060496
Energy: 0.8360630170995246
Energy: 0.6248230551499733
Energy: 1.0838522956285015
Energy: 0.7109606635637425
Energy: 1.083852295627049
Energy: 0.7131825861652998
Energy: 0.8821976185315756
Energy: 0.8123541013923156
Energy: 0.8821976185315756
Energy: 0.7436895395796557
Energy: 1.026763216725741
Energy: 0.5843437584229352
Energy: 1.026763216725741
Energy: 0.7440483182684166
Energy: 0.9370076398027105
Energy: 0.7123400409814221
Energy: 0.937007639801258
Energy: 0.7137429602513885
Energy: 0.7540106292420714
Energy: 0.6451429834267555
Energy: 0.7540106292435236

minimum gb energy = -0.4184931227656533 eV
minimum distance =  2.34059358305967 Angstroms
sigma value = 17


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

Energy: 0.8385530882549239
Energy: 1.033623680131194
Energy: 0.20244098591757273
Energy: 1.0336236801303715
Energy: 0.7323189028554455
Energy: 0.7284489503292042
Energy: 0.7226285110863125
Energy: 0.7284489503283816
Energy: 0.6759536466322625
Energy: 1.0546940443984871
Energy: 0.7220786217378865
Energy: 1.054694044396842
Energy: 0.7203136971805304
Energy: 1.0096492521054425
Energy: 0.6790865459457772
Energy: 1.0096492521079101
Energy: 0.760952771318082
Energy: 0.9068869301530126
Energy: 0.7175288794600878
Energy: 0.9068869301513675
Energy: 0.7872677128840071
Energy: 1.0260891713306541
Energy: 0.5826567653994509
Energy: 1.0260891713298315
Energy: 0.7253240322610811
Energy: 0.8271034313673049
Energy: 0.6886972172191139
Energy: 0.8271034313664823
Energy: 0.623404324598209
Energy: 1.10198101853053
Energy: 0.7891420478844442
Energy: 1.1019810185321752
Energy: 0.7531637685350373
Energy: 1.0167287107648129
Energy: 0.623922950885204
Energy: 1.0167287107648129
Energy: 0.6676592844082402
Energy: 0.9117847904413799
Energy: 0.7207024573197437
Energy: 0.9117847904422025
Energy: 0.7593061417813163
Energy: 1.0137800166844526
Energy: 0.6297414339193649
Energy: 1.0137800166844526
Energy: 0.7749576112233187
Energy: 0.8818383835506278
Energy: 0.7871361419428426
Energy: 0.8818383835522728
Energy: 0.650261274778122
Energy: 1.0128331647786137
Energy: 0.8252181129315679
Energy: 1.0128331647777913
Energy: 0.7590835541688785
Energy: 1.0260630237108714
Energy: 0.7278976846732704
Energy: 1.026063023710049
Energy: 0.6981278604389864
Energy: 0.8139566996266454
Energy: 0.7568973756264941
Energy: 0.8139566996274678
Energy: 0.6428447710134998
Energy: 1.0705786729296214
Energy: 0.649579562517252
Energy: 1.0705786729353794
Energy: 0.7205934342374766
Energy: 0.8753118018362495
Energy: 0.6951721032003263
Energy: 0.8753118018395395
Energy: 0.5421447170743988
Energy: 1.0043920828136175
Energy: 0.7869488015809579
Energy: 1.0043920828136175
Energy: 0.7840008864812017
Energy: 0.9603864008486397
Energy: 0.8233386637639857
Energy: 0.9603864008486397
Energy: 0.7282538979368061
Energy: 1.0130608869489452
Energy: 0.7272020600068393
Energy: 1.013060886951413
Energy: 0.6040042592702131
Energy: 0.9776181643584113
Energy: 0.7209292452309809
Energy: 0.9776181643584113
Energy: 0.7556419367837669
Energy: 0.6382802798969351
Energy: 0.6536270653726005
Energy: 0.6382802798961126
Energy: 0.6986359679208923
Energy: 1.0008380913720192
Energy: 0.7628878744057688
Energy: 1.0008380913736645
Energy: 0.8096941420346535
Energy: 0.8481856409955676
Energy: 0.7058970153305111
Energy: 0.8481856409955676
Energy: 0.8143043072048113
Energy: 1.033520045452579
Energy: 0.6780893804408122
Energy: 1.0335200427097866
Energy: 0.31655796953771187
Energy: 1.0049946000452858
Energy: 0.7632083776292948
Energy: 1.0049946000428183
Energy: 0.7174409449715822
Energy: 0.8502267103406935
Energy: 0.693248259362995
Energy: 0.8502267103579672
Energy: 0.5685189909973827
Energy: 0.9836859352488798
Energy: 0.7217905346123537
Energy: 0.9836859352488798
Energy: 0.6928684369590224
Energy: 0.857325850849319
Energy: 0.7245961217506011
Energy: 0.857325852591517
Energy: 0.7891449559638463
Energy: 0.9810347307091559
Energy: 0.6034701078777016
Energy: 0.9810347307091559

minimum gb energy = 0.20244098591757273 eV
minimum distance =  2.26182357048434 Angstroms
sigma value = 53


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

Energy: 0.8628738474925961
Energy: 0.8676578101176889
Energy: 0.328600964987794
Energy: 0.8676578101157952
Energy: 0.8189369153340214
Energy: 0.8090129274179868
Energy: 0.8223724441225547
Energy: 0.8090129274179868
Energy: 0.8244904940077726
Energy: 1.0007335682523868
Energy: 0.8544175571939895
Energy: 1.000733568256174
Energy: 0.8242126728042181
Energy: 1.0048221555433359
Energy: 0.7366427421061021
Energy: 1.0048221555433359
Energy: 0.8189993720672598
Energy: 0.8089787064042332
Energy: 0.822710075479621
Energy: 0.8089787065556823
Energy: 0.8628738474925961
Energy: 0.8676578101176889
Energy: 0.6384861650535184
Energy: 0.8676578101176889
Energy: 0.818936915330234
Energy: 0.8090129274160931
Energy: 0.7604609903481949
Energy: 0.8090129274160931
Energy: 0.8244904940077726
Energy: 1.0007335682750675
Energy: 0.8544175571958832
Energy: 1.0007335682485994
Energy: 0.8242126728042181
Energy: 1.0048221555433359
Energy: 0.7204353528680618
Energy: 1.004822155547123
Energy: 0.8189997778083522
Energy: 0.8089787067430678
Energy: 0.7604140522931471
Energy: 0.8089787070648164
Energy: 0.8628738474925961
Energy: 0.8676578101176889
Energy: 0.6431485321189705
Energy: 0.8676578101176889
Energy: 0.818936915335915
Energy: 0.8090129274141995
Energy: 0.7139487443513294
Energy: 0.8090129274141995
Energy: 0.8244904940077726
Energy: 1.000733568250493
Energy: 0.8544175571958832
Energy: 1.0007335682523868

minimum gb energy = 0.328600964987794 eV
minimum distance =  2.29565608412489 Angstroms
sigma value = 9


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

Energy: 0.919602953906654
Energy: 1.0304450678347883
Energy: 0.6043209425608975
Energy: 1.0304450678333865
Energy: 0.699689553212223
Energy: 0.6958752187188965
Energy: 0.6282893932207269
Energy: 0.6958752187195972
Energy: 0.642177132221123
Energy: 0.9898162275942237
Energy: 0.6091860677367533
Energy: 0.9898162275949245
Energy: 0.6336957916542063
Energy: 0.8611635767357941
Energy: 0.7489647005270045
Energy: 0.8611635767336915
Energy: 0.6503787497361283
Energy: 0.6894176502706235
Energy: 0.7178096043444774
Energy: 0.6894176502601104
Energy: 0.9065340013001045
Energy: 0.7084350695489342
Energy: 0.6024531795706928
Energy: 0.7084350695468317
Energy: 0.6551978616845051
Energy: 0.6578895246276488
Energy: 0.7185967111442345
Energy: 0.6578895246199392
Energy: 0.8002084496310493
Energy: 1.039978407348735
Energy: 0.6468133532274731
Energy: 1.0399784073396234
Energy: 0.6604330410016437
Energy: 0.8721790582931187
Energy: 0.8305453168346547
Energy: 0.872178911541731
Energy: 0.6625072131975077
Energy: 0.7645423625969437
Energy: 0.7110851866065611
Energy: 0.7645423625969437
Energy: 0.7493131509093481
Energy: 1.0485276452192123
Energy: 0.5612947866932193
Energy: 1.0485276452192123
Energy: 0.6351830849434574
Energy: 1.0468420314369622
Energy: 0.7375844076212185
Energy: 1.046842031439001
Energy: 0.7243432187504777
Energy: 1.0264625239628362
Energy: 0.6599856209279886
Energy: 1.0264625239607337
Energy: 0.6406734855107687
Energy: 1.0501290569677157
Energy: 0.9186235485625786
Energy: 1.0501290569691177
Energy: 0.6886800252356161
Energy: 0.9009442988367447
Energy: 0.650738567677581
Energy: 0.9009444168140226
Energy: 0.7248454482796696
Energy: 1.0050167646133217
Energy: 0.6272249243352834
Energy: 1.0050167646077148
Energy: 0.6905420908077107
Energy: 0.9101404786770946
Energy: 0.6881880337293498
Energy: 0.9101404786777955
Energy: 0.7508892294274339
Energy: 0.6691097262726192
Energy: 0.6908082150733451
Energy: 0.6691097262726192
Energy: 0.6682184301868926
Energy: 0.8900266182868951
Energy: 0.9070149256023989
Energy: 0.8900266182721768
Energy: 0.6025152843173541
Energy: 0.7944977429976205
Energy: 0.7161178146448335
Energy: 0.794497743000424
Energy: 0.6436822311030739
Energy: 1.0296926926916052
Energy: 0.6401757599433374
Energy: 1.029692692693708
Energy: 0.7457386489069929
Energy: 0.792002981668065
Energy: 0.6626276889444781
Energy: 0.792002981668065
Energy: 0.827207453505087
Energy: 0.8935553149877538
Energy: 0.6603453201559931
Energy: 0.8935553149765398
Energy: 0.07007159454900506
Energy: 1.0524456364790675
Energy: 0.8257221377848667
Energy: 1.0524456364804693
Energy: 0.7312534206771529
Energy: 0.7486231409662363
Energy: 0.6809650480376349
Energy: 0.7486231409662363
Energy: 0.6780303175573035
Energy: 0.9375439283503642
Energy: 0.7077086289656324
Energy: 0.937543928272631
Energy: 0.7167515698237505
Energy: 0.9079452119295726
Energy: 0.6322321064515819
Energy: 0.9079452119169569
Energy: 0.9049345036979576
Energy: 0.858153447917629
Energy: 0.6340648369038474
Energy: 0.8581534479274413
Energy: 0.6594455115545662
Energy: 0.9848199803245731
Energy: 0.7130265650893524
Energy: 0.9848199803238721
Energy: 0.7274201284826587
Energy: 0.7449124504982222
Energy: 0.7233895550464167
Energy: 0.7449124494354454
Energy: 0.6842648374521462
Energy: 1.0465980095909626
Energy: 0.8259088737361057
Energy: 1.0465980095791114
Energy: 0.6989665970345715
Energy: 0.6703377555606193
Energy: 0.6602500464888272
Energy: 0.670337755556414
Energy: 0.6587121806948402
Energy: 0.793997004284197
Energy: 0.6547195171422037
Energy: 0.793997004284197
Energy: 0.6395965526278217
Energy: 1.0339746053957062
Energy: 0.633417420577928
Energy: 1.0339746053950052
Energy: 0.6527462614345769
Energy: 0.7154542079312202
Energy: 0.682901232273888
Energy: 0.7154542079326217

minimum gb energy = 0.07007159454900506 eV
minimum distance =  2.29658351128476 Angstroms
sigma value = 73


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

Energy: 0.9384030695098838
Energy: 0.8888403857001941
Energy: 0.46106136601432846
Energy: 0.8888403856924101
Energy: 0.8237167480208394
Energy: 0.7799371962883423
Energy: 0.8445449742659871
Energy: 0.7799371962894542
Energy: 0.751220179337789
Energy: 0.9230520075154179
Energy: 0.8050877632761594
Energy: 0.9230520075187539
Energy: 0.7155787299563565
Energy: 0.891212182992319
Energy: 0.8138722853414108
Energy: 0.8912121829967669
Energy: 0.6420904232482927
Energy: 0.7786952462275029
Energy: 0.6805210901096291
Energy: 0.7786952462275029
Energy: 0.8423676892277767
Energy: 0.9229246940931299
Energy: 0.49125353238494823
Energy: 0.9229246939786454
Energy: 0.7240378593389376
Energy: 0.6627869591455752
Energy: 0.7770615898458665
Energy: 0.6627869591444632
Energy: 0.8038393638404766
Energy: 0.9261603728310425
Energy: 0.5945094697727605
Energy: 0.9261603744538162
Energy: 0.6932101617555457
Energy: 0.7112529948324029
Energy: 0.9199357436197838
Energy: 0.7112529948324029
Energy: 0.7361148163740387
Energy: 0.7446000217208311
Energy: 0.7489920109891085
Energy: 0.744600021721943
Energy: 0.7629880601720098
Energy: 0.8572312254552531
Energy: 0.6373695692403006
Energy: 0.8572312250039871
Energy: 0.7346901111059296
Energy: 0.8615070652449526
Energy: 0.7077505727548278
Energy: 0.861507066644317
Energy: 0.8444060303126082
Energy: 0.6929304040496168
Energy: 0.6371159016168717
Energy: 0.6929304040485049
Energy: 0.05047728124058735
Energy: 1.0309787770199672
Energy: 0.8425300292396147
Energy: 1.0309787771966978
Energy: 0.7800295716266948
Energy: 0.8051209867336916
Energy: 0.740295327155762
Energy: 0.8051209867325795
Energy: 0.6216151000639726
Energy: 0.9220244743835346
Energy: 0.8039203015018523
Energy: 0.9220244743713282
Energy: 0.8193266032851815
Energy: 0.9225844190319408
Energy: 0.7520430888365249
Energy: 0.9225844190063648
Energy: 0.9318202571709882
Energy: 0.8626596595427304
Energy: 0.7487428055256472
Energy: 0.8626596596027526
Energy: 0.6375107125083727
Energy: 0.8546063787072838
Energy: 0.8041549339224655
Energy: 0.85460638152383
Energy: 0.8232495712020058
Energy: 0.9256397605010679
Energy: 0.7789768291011121
Energy: 0.9256397581135735
Energy: 0.6338597131009852
Energy: 0.938573381602674
Energy: 0.8416507221394381
Energy: 0.9385733816015621
Energy: 0.8147717983978735
Energy: 0.7555269198368322
Energy: 0.6817911533529722
Energy: 0.7555269198401682

minimum gb energy = 0.05047728124058735 eV
minimum distance =  2.26555060037551 Angstroms
sigma value = 7


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

Energy: 0.9397921729707672
Energy: 0.6084979356091069
Energy: -0.0440229865376247
Energy: 0.6084979353552762
Energy: 0.664981569644317
Energy: 0.6958903988116247
Energy: 0.7992328445811709
Energy: 0.695890398723631
Energy: 0.7231194693408163
Energy: 0.8035343211686397
Energy: 0.7039162593721087
Energy: 0.8035343222720992
Energy: -0.04615901179933599
Energy: 0.659388883712561
Energy: 0.8216810907570413
Energy: 0.6593888837267143
Energy: 0.636360947454615
Energy: 0.7010737178369193
Energy: 0.3767555338348749
Energy: 0.7010737178392781
Energy: 0.853106764986632
Energy: 0.7871409398869843
Energy: 0.26447437186698713
Energy: 0.7871409398838393
Energy: 0.6969205182335285
Energy: 0.4817430650127649
Energy: 0.6524221378588465
Energy: 0.4799112771223405
Energy: 0.8529239968255506
Energy: 0.6239191040926108
Energy: 0.31497440800493354
Energy: 0.6239191040768847
Energy: -0.3464674202706219
Energy: 0.8771226903744076
Energy: 0.8713035364446353
Energy: 0.8771226963373918
Energy: 0.681002304142742
Energy: 0.6842365755776243
Energy: 0.6544711959793805
Energy: 0.6842365755776243
Energy: 0.6506072289230697
Energy: 0.8345901716377526
Energy: 0.6881853516225597
Energy: 0.8345901716605552
Energy: 0.6308256676484797
Energy: 0.9191695141978721
Energy: 0.355442492435495
Energy: 0.919169514182146
Energy: 0.7069794147603818
Energy: 0.7760487989780332
Energy: 0.26792004077527315
Energy: 0.7760487989780332
Energy: 0.494591558498956
Energy: 0.8832470596649186
Energy: 0.6973887355076012
Energy: 0.8832470547535339
Energy: 0.6229319229140788
Energy: 0.6732237989440696
Energy: 0.7636831781538513
Energy: 0.6732237989487874
Energy: -0.055678584171905736
Energy: 0.7012345448357963
Energy: 0.8726403816754411
Energy: 0.7012345498391417
Energy: 0.6303601078916454
Energy: 0.6572323256972968
Energy: 0.6208127618498085
Energy: 0.6572323256980831
Energy: 0.6475652616314272
Energy: 0.7662751462377958
Energy: 0.3532602206544167
Energy: 0.7662751462362232
Energy: 0.6496469506343342
Energy: 0.8560727053943123
Energy: 0.2577952831703807
Energy: 0.8560727054029617
Energy: 0.6257696848409132
Energy: 0.6682413732814731
Energy: 0.21674499234421388
Energy: 0.6682413733136755
Energy: 0.12045553811587956
Energy: 0.9585386661728602
Energy: 0.8732690802993516
Energy: 0.9585386661736465
Energy: 0.7686687674687392
Energy: 0.7879300427673958
Energy: 0.5576636863108738
Energy: 0.7879300427320481
Energy: 0.6705599564606086
Energy: 0.7474690948995389
Energy: 0.750397235265106
Energy: 0.7474690973108234
Energy: 0.8814769354703623
Energy: 0.6113939590634743
Energy: 0.0174195028754918
Energy: 0.6113939590634743
Energy: 0.7460214762976531
Energy: 0.72038360622884
Energy: 0.7203530941284559
Energy: 0.7203836062296263
Energy: 0.16327745030847696
Energy: 0.6527072831121166
Energy: 0.6927909159985847
Energy: 0.6527072830956402
Energy: 0.7252966794522356
Energy: 0.7975881344504349
Energy: 0.6630144348316795
Energy: 0.7975881344496485
Energy: 0.19987244231532758
Energy: 0.6194042450521949
Energy: 0.8804731732377441
Energy: 0.6194042450506222
Energy: 0.8551112055449477
Energy: 0.9031635164984512
Energy: 0.6263010620050763
Energy: 0.9031635165109962
Energy: 0.729480904174479
Energy: 1.1325276095908854
Energy: 0.8181882262319958
Energy: 1.1325276095900987
Energy: 0.8552092162427133
Energy: 1.010322565499928
Energy: 0.0003246313591138469
Energy: 1.010322565499928

minimum gb energy = -0.3464674202706219 eV
minimum distance =  2.24409414070286 Angstroms
sigma value = 29


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

Energy: 0.6929632067097475
Energy: 0.864746470244145
Energy: 0.6327023119790095
Energy: 0.8647464702444189
Energy: 0.630424945749287
Energy: 0.7077105131186749
Energy: 0.8316606170998967
Energy: 0.7077312601399299
Energy: 0.7743936503633019
Energy: 0.837357041619194
Energy: 0.6313505406381139
Energy: 0.8373570416194375
Energy: 0.8329157146389886
Energy: 1.0999795990787602
Energy: 0.8337790394158436
Energy: 1.0999795990790036
Energy: 0.8332982364369714
Energy: 0.7867476625884202
Energy: 0.6171250401484852
Energy: 0.7867476625881463
Energy: 0.5827306192665346
Energy: 0.9798532781490872
Energy: 0.5821512679734865
Energy: 0.9798532781490872
Energy: 0.7751174899062846
Energy: 0.7867544463942964
Energy: 0.8331105890796172
Energy: 0.7867544463945702
Energy: 0.8301385500535453
Energy: 1.0994216793299136
Energy: 0.829758268659477
Energy: 1.0994216793301874
Energy: 0.6312163160408995
Energy: 0.837378750690566
Energy: 0.6332715851031031
Energy: 0.8373787506908398

minimum gb energy = 0.5821512679734865 eV
minimum distance =  2.32977255828335 Angstroms
sigma value = 5


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

Energy: 0.6066056884158236
Energy: 0.7023681578643174
Energy: -0.4553051687904874
Energy: 0.7023681582095617
Energy: 0.4310748952479776
Energy: 0.8933897242688321
Energy: 0.5241712470218169
Energy: 0.8933897246950027
Energy: 0.5758686258855554
Energy: 0.29366981883865134
Energy: 0.666269663783033
Energy: 0.2936698187978
Energy: 0.14037627201913153
Energy: 0.8817570452769933
Energy: 0.5686715462306663
Energy: 0.8817570452769933
Energy: 0.5754788606986072
Energy: 0.7403306288274124
Energy: 0.7084087265288648
Energy: 0.7403306288326116
Energy: 0.29189840467618866
Energy: 0.5246368799887375
Energy: 0.4865809356497349
Energy: 0.5246368799887375
Energy: 0.3860153262254284
Energy: 0.5932525754354954
Energy: 0.5944328044127067
Energy: 0.5932525754354954
Energy: 0.5204914649178737
Energy: 0.8408560727176984
Energy: 0.5301343109342428
Energy: 0.840856072718441
Energy: 0.603142279847104
Energy: 0.7280576220211856
Energy: 0.5351893738529808
Energy: 0.7280576220204428
Energy: 0.6175663412832556
Energy: 0.6126942770657914
Energy: 0.1675204286557705
Energy: 0.6126942770657914
Energy: 0.2135151921648706
Energy: 0.9447443605138278
Energy: 0.5488944440028642
Energy: 0.9447443645919381
Energy: 0.5526569545523777
Energy: 0.8973026312320638
Energy: 0.5759452741812394
Energy: 0.897302631234292
Energy: 0.1602358015835866
Energy: 0.5258999931597005
Energy: 0.6409241352558778
Energy: 0.5258999931597005
Energy: 0.5652100043760491
Energy: 0.6842972996628182
Energy: 0.5358100753867227
Energy: 0.6842972996940136
Energy: 0.6546572862163822
Energy: 0.753842176266621
Energy: 0.5534321625118112
Energy: 0.7538421764069335
Energy: 0.653878890495243
Energy: 0.7055581760532363
Energy: -0.39136069868118345
Energy: 0.7055581759664019
Energy: 0.6235251862006399
Energy: 0.7235573491083425
Energy: 0.5550518085299601
Energy: 0.7235573496450817
Energy: 0.613798342106273
Energy: 0.5192030584824096
Energy: 0.22937988934440512
Energy: 0.519203058480924
Energy: 0.5432872371208921
Energy: 0.5827621244429083
Energy: 0.49974776269295507
Energy: 0.5827621244406801
Energy: 0.5442187551844628
Energy: 0.7647313372212216
Energy: 0.5135575759341395
Energy: 0.7647313361276213
Energy: 0.5091378271838356
Energy: 0.7704151657736712
Energy: 0.5576044422594957
Energy: 0.7704151657907544
Energy: 0.6014747398650495
Energy: 0.6236034689893717
Energy: 0.5967429003090099
Energy: 0.6236034689901144
Energy: 0.5526494972100062
Energy: 0.6920864665616645
Energy: 0.5220119334088112
Energy: 0.6920864703858888
Energy: 0.6269146750958753
Energy: 0.9317552771580582
Energy: 0.544829485356085
Energy: 0.9317552762648997
Energy: 0.6273008292044099
Energy: 0.7083444801823248
Energy: 0.5672182309907147
Energy: 0.7083444801823248
Energy: 0.6072062609686985
Energy: 0.6313376410262422
Energy: 0.5830012395325392
Energy: 0.6313376402147527
Energy: 0.5215545747371965
Energy: 0.7516344863303435
Energy: 0.5530304172411576
Energy: 0.7516344863310862
Energy: 0.02747444474411851
Energy: 0.938662713761308
Energy: 0.6254532198714072
Energy: 0.938662713802902
Energy: 0.5490845529685734
Energy: 0.8396761185145794
Energy: 0.6770319918942557
Energy: 0.8396761195294479
Energy: 0.3746282137159526
Energy: 0.7758223278724524
Energy: 0.5836921591555078
Energy: 0.7758223187005531
Energy: 0.5331027723100575
Energy: 0.5007703901955302
Energy: 0.43026883990305154
Energy: 0.5007703901955302
Energy: 0.6469177910182141
Energy: 0.8461240436272458
Energy: 0.5525174887444554
Energy: 0.8461240436375768
Energy: 0.5448568008681473
Energy: 0.9405584590928736
Energy: 0.15585186867306702
Energy: 0.9405584597878188

minimum gb energy = -0.4553051687904874 eV
minimum distance =  2.18715060958343 Angstroms
sigma value = 1


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

Energy: 0.7284216814336403
Energy: 0.6973471843654175
Energy: 0.14152168876908913
Energy: 0.6973495837556166
Energy: 0.6928986481172063
Energy: 0.9778408470932866
Energy: 0.5090059819136078
Energy: 0.9778408470891786
Energy: 0.48109468832133884
Energy: 0.6084291839289947
Energy: 0.6756776468112194
Energy: 0.6084291839320755
Energy: 0.47339082864948323
Energy: 0.9379120658836092
Energy: 0.5838509557015322
Energy: 0.9379120657255482
Energy: 0.4116002677524156
Energy: 0.9142354456197829
Energy: 0.7836274345786691
Energy: 0.9142354456187558
Energy: 0.4269901196373103
Energy: 1.062387598370275
Energy: 0.574386050967923
Energy: 1.062387598370275
Energy: 0.47088939880920494
Energy: 0.6207142115006241
Energy: 0.489612766612973
Energy: 0.620714211510894
Energy: 0.4381520046862615
Energy: 0.7991057898846194
Energy: 0.4860698814449188
Energy: 0.7991057898835925
Energy: 0.6251890807079965
Energy: 0.8041810409291716
Energy: 0.4714125595374693
Energy: 0.8041810409291716
Energy: 0.5672426218693217
Energy: 0.7617539357031913
Energy: 0.4693719758284195
Energy: 0.7617539355317795
Energy: 0.4596521148517365
Energy: 0.8172067306211266
Energy: 0.5192670421018033
Energy: 0.8172067306231804
Energy: 0.45037797025089993
Energy: 0.6956191622022291
Energy: 0.5736509957533564
Energy: 0.6956677333078773
Energy: 0.43090500124299747
Energy: 0.9704551121520748
Energy: 0.6069686028014676
Energy: 0.9704551121479668
Energy: 0.434634471353306
Energy: 0.6822203640471096
Energy: 0.6671864608606267
Energy: 0.682220364131275
Energy: 0.48151576367886034
Energy: 0.773553734203828
Energy: 0.6123056971712877
Energy: 0.773553734203828
Energy: 0.4916752841691249
Energy: 0.5331164204977381
Energy: 0.5807136734850384
Energy: 0.5331164204967112
Energy: 0.7265902847525364
Energy: 1.1172146868124753
Energy: 0.5231077088152621
Energy: 1.1172146868124753
Energy: 0.7284216814336403
Energy: 0.6996325222250366
Energy: 0.148175474004661
Energy: 0.6973791320608963
Energy: 0.692898648329697
Energy: 0.9778408470922596
Energy: 0.5090059824176201
Energy: 0.9778408470809627
Energy: 0.4810946883110691
Energy: 0.6084291839515881
Energy: 0.6756776467999227
Energy: 0.6084291839454262
Energy: 0.47339082864845633
Energy: 0.9379120658579815
Energy: 0.5838509557005052
Energy: 0.9379120659123646
Energy: 0.4116002677616584
Energy: 0.9142354456197829
Energy: 0.7836274345694264
Energy: 0.9142354456187558
Energy: 0.42699011963833733
Energy: 1.0623875983692481
Energy: 0.5743860509668961
Energy: 1.062387598370275
Energy: 0.470889398808178
Energy: 0.620714211509867
Energy: 0.4896127666068112
Energy: 0.620714211509867

minimum gb energy = 0.14152168876908913 eV
minimum distance =  2.28192674058226 Angstroms
sigma value = 17


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

Energy: 0.5442174934930629
Energy: 0.20980185877192678
Energy: -0.3650218499598355
Energy: 0.2097255130528849
Energy: 0.21014331561418328
Energy: 0.6586641176535967
Energy: 0.214739316478483
Energy: 0.6587030951676248
Energy: 0.1585613386537598
Energy: 0.08214841240009366
Energy: 0.17933357254340554
Energy: 0.08214699746779826
Energy: -0.14045531790658983
Energy: 0.7423678009789054
Energy: 0.030188521083327435
Energy: 0.7423678009192963
Energy: -0.017243835897791434
Energy: 0.6142693474616936
Energy: 0.3235175460237745
Energy: 0.6143152830218889
Energy: -0.1669002738071724
Energy: 0.8637160517976167
Energy: 0.22536994569472704
Energy: 0.863716051970789
Energy: 0.09477582222841152
Energy: 0.31196405695436236
Energy: 0.4031933897170222
Energy: 0.310212547329947
Energy: -0.038692500410551146
Energy: 0.4297183927864402
Energy: -0.06525438536161188
Energy: 0.4297183346738855
Energy: 0.04219635527858174
Energy: 0.5284757188307947
Energy: 0.14419217357088665
Energy: 0.528475718931028
Energy: 0.0431375412986815
Energy: 0.7550181095132357
Energy: 0.11919482272925994
Energy: 0.7550181099630451
Energy: 0.09052430418107475
Energy: 0.8511931841018777
Energy: -0.02235935935614475
Energy: 0.8511931841006081
Energy: 0.14970720892952863
Energy: 0.21050694720909988
Energy: -0.006395537052557244
Energy: 0.2105076420330916
Energy: -0.1671759213892361
Energy: 0.7465018388858897
Energy: 0.09825057381330964
Energy: 0.7465018416686493
Energy: 0.0034336564868018833
Energy: 0.6401871356550985
Energy: 0.19400090188428415
Energy: 0.6401871444025798
Energy: -0.14189879892775606
Energy: 0.8449327117281352
Energy: 0.17053917467085436
Energy: 0.8449327113112751
Energy: 0.12609468082175343
Energy: 0.1953627963892732
Energy: 0.31785408784923713
Energy: 0.19536279297960785
Energy: 0.03493524961178059
Energy: 0.5514297187842652
Energy: 0.13118918030288984
Energy: 0.5514297187829956
Energy: 0.23167313513729812
Energy: 0.2397627140764616
Energy: -0.1458106406718192
Energy: 0.23976271406630556
Energy: 0.3183123589672165
Energy: 1.0708368832903474
Energy: 0.17280750246115495
Energy: 1.0708368832884432
Energy: 0.40920166798863966
Energy: 0.05243030819908904
Energy: -0.28086838738141034
Energy: 0.05243030819908904
Energy: 0.13428939795935338
Energy: 0.789673828865591
Energy: 0.21572692089365883
Energy: 0.7896738288668604
Energy: 0.13173983508133805
Energy: 0.9328189015578843
Energy: 0.23160907601768208
Energy: 0.9328189015445545
Energy: -0.03558768252572897
Energy: 0.7609431545482672
Energy: 0.25925418636664205
Energy: 0.7609431544600366
Energy: 0.1914526129826478
Energy: 0.7929168172113273
Energy: 0.26762346388595065
Energy: 0.7929168172620498
Energy: -0.2169630956795274
Energy: 0.23659444784223613
Energy: 0.07312842848932963
Energy: 0.23659464026293317
Energy: 0.10024539165944184
Energy: 0.31505766856996226
Energy: 0.0074745924854763115
Energy: 0.31505766870574176
Energy: 0.145347283582852
Energy: 0.715049120916412
Energy: 0.1543105675230821
Energy: 0.715049121105453
Energy: 0.169734372533525
Energy: 0.8319027282853112
Energy: -0.033267669413990314
Energy: 0.8319027283221267
Energy: 0.1808804089945399
Energy: 0.6489376072483107
Energy: -0.027365013973369913
Energy: 0.6489375970034458
Energy: 0.06708808558534587
Energy: 0.8704954770631214
Energy: -0.09243805637157332
Energy: 0.8704954772591448
Energy: 0.016904761434497977
Energy: 0.2833029483085477
Energy: 0.2349778193437344
Energy: 0.2832987403808032
Energy: -0.01422035672054544
Energy: 0.7530893373419553
Energy: 0.11949669928857519
Energy: 0.7146229453183691
Energy: 0.06772046356976663
Energy: 0.7741703887828131
Energy: 0.21314975061689095
Energy: 0.7741703888417873
Energy: -0.08931875572786313
Energy: 0.6307580760702549
Energy: 0.15763284968528615
Energy: 0.630758061463479
Energy: -0.021330797030545686
Energy: 0.17953318039642496
Energy: 0.0516771872006334
Energy: 0.17953318062228182
Energy: 0.04666023267089631
Energy: 0.802732868038176
Energy: 0.1545614592557816
Energy: 0.8027328680635661
Energy: 0.2490803973881871
Energy: 0.8753892013026784
Energy: -0.17252394838402685
Energy: 0.8753892013045826
Energy: 0.3299689841723957
Energy: 0.8907121744115172
Energy: 0.13655251640576982
Energy: 0.8907121748943916

minimum gb energy = -0.3650218499598355 eV
minimum distance =  2.20495421113079 Angstroms
sigma value = 89


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

Energy: 0.5448245275578679
Energy: 0.4089833171048896
Energy: 0.38904013161606
Energy: 0.4089833171048896
Energy: 0.39583919460346106
Energy: 0.4798996531035524
Energy: 0.38111667194242804
Energy: 0.4798996531035524
Energy: 0.37814926305745994
Energy: 0.9449833428736204
Energy: 0.48956846943800814
Energy: 0.9449833428752812
Energy: 0.12299811251855873
Energy: 0.47268519970010575
Energy: 0.3799681417321427
Energy: 0.4726851997017666
Energy: 0.3972507299574952
Energy: 0.8991789271724959
Energy: 0.5976461686141784
Energy: 0.8991789271708349
Energy: 0.3955683242363572
Energy: 0.41093829659226583
Energy: 0.39164649608519136
Energy: 0.4109382965939266
Energy: 0.3835268759240517
Energy: 0.5879738334774369
Energy: 0.4136675524574818
Energy: 0.5879738334774369
Energy: -0.044375559425936247
Energy: 0.58478629135602
Energy: 0.4086466627270021
Energy: 0.5847862929464278
Energy: 0.39921722069264126
Energy: 0.4193618356190414
Energy: 0.20008842209295155
Energy: 0.4193618565546419
Energy: 0.45636646033789136
Energy: 0.40353428369051736
Energy: 0.39461011996673706
Energy: 0.402985095335711
Energy: 0.39006506373508715
Energy: 0.5370898081004291
Energy: 0.4284985913154963
Energy: 0.5370898080937856
Energy: 0.3913185947748795
Energy: 0.6213692741710711
Energy: 0.37911629585805945
Energy: 0.6213692741710711
Energy: 0.42852000836636056
Energy: 0.8727241091209679
Energy: 0.19442208507324585
Energy: 0.8727241091209679
Energy: 0.39463072495223117
Energy: 0.4796144813460213
Energy: 0.3939418212641605
Energy: 0.4796144813476822
Energy: -0.04579132388644065
Energy: 0.8791328371212718
Energy: 0.39204435439288543
Energy: 0.8791328371212718

minimum gb energy = -0.04579132388644065 eV
minimum distance =  2.19928467163984 Angstroms
sigma value = 13


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

Energy: 0.4616639136207631
Energy: 0.823045242489992
Energy: -0.5744844651557383
Energy: 0.8230452424809425
Energy: 0.05149213281599696
Energy: 0.8497363454474302
Energy: -0.23091415326126943
Energy: 0.8497363454481262
Energy: 0.42687128536812213
Energy: 0.8230481434474048
Energy: -0.419106789357791
Energy: 0.8230481434564544
Energy: -0.3394333166647625
Energy: 0.8609517619863379
Energy: -0.4959464780402595
Energy: 0.8609517619633659
Energy: -0.14135670251876192
Energy: 0.4975231373168483
Energy: -0.048000411968570106
Energy: 0.4975315595662898
Energy: -0.4383486235097308
Energy: 0.6618123452800114
Energy: -0.2323472104753976
Energy: 0.6618123458477925
Energy: -0.3073146177538813
Energy: 0.9692885878653414
Energy: 0.04112228896124563
Energy: 0.9692885878653414
Energy: -0.4688239770995306
Energy: 0.84985611169505
Energy: -0.2286198789844104
Energy: 0.8498561116978346
Energy: -0.29781403090482167
Energy: 0.8241672516765797
Energy: -0.1540713390915845
Energy: 0.8241672515938047
Energy: -0.28365158396983114
Energy: 0.6864544642325795
Energy: -0.20791692388329697
Energy: 0.6864544490548157
Energy: -0.3214277121347341
Energy: 0.6496113076012522
Energy: -0.3359341492953451
Energy: 0.6496113075915065
Energy: 0.1182469103798844
Energy: 0.6727736805286494
Energy: -0.4661792300242827
Energy: 0.6727736791356496
Energy: 0.261495788716013
Energy: 0.8412455472235629
Energy: -0.3924227226790368
Energy: 0.8412455472228668
Energy: 0.195080593280156
Energy: 0.7003584122190675
Energy: -0.5008937468399903
Energy: 0.700358412222548
Energy: -0.3218774837172122
Energy: 0.8138802024825829
Energy: -0.5514603005168728
Energy: 0.813880202483279
Energy: -0.358946148859218
Energy: 0.6822786006597705
Energy: -0.3850426583781632
Energy: 0.6822786006548976
Energy: -0.13742777076230409
Energy: 0.9575148014932348
Energy: -0.3746934178024167
Energy: 0.9575148014918426
Energy: -0.40944914543980765
Energy: 0.8407793459416794
Energy: -0.2398355062170349
Energy: 0.8407793459402871
Energy: -0.15307616423754308
Energy: 0.8223253807007229
Energy: -0.2476261607135067
Energy: 0.8223253806909772
Energy: -0.1424537321191764
Energy: 0.8195629782191169
Energy: -0.25001784909008273
Energy: 0.819562978221838
Energy: -0.404833772084932
Energy: 0.8534260851900695
Energy: -0.24474734785674823
Energy: 0.8534260851907657
Energy: -0.1461834655832977
Energy: 0.9472882355558835
Energy: -0.39793177486261994
Energy: 0.9472882355558835
Energy: -0.346454519623444
Energy: 0.6817017223383833
Energy: -0.38867402671226225
Energy: 0.6817017225074772
Energy: -0.12003421904707418
Energy: 0.7729335625794075
Energy: -0.4599849139831455
Energy: 0.7729335626239593
Energy: 0.20190217017507503
Energy: 0.6926895611113871
Energy: -0.4859446475857336
Energy: 0.692689562169047
Energy: 0.23013778619413783
Energy: 0.8438898405452645
Energy: -0.45328537970457883
Energy: 0.8438898406183571
Energy: 0.05105807280200354
Energy: 0.6336799537666402
Energy: -0.4584468912877989
Energy: 0.6336799537937254
Energy: -0.03027769605904805
Energy: 0.6671097481794735
Energy: -0.39466826075925915
Energy: 0.6671097481808658
Energy: -0.28924824825099504
Energy: 0.6781018565385827
Energy: -0.17539530433309214
Energy: 0.678101856734066
Energy: -0.13821037530027397
Energy: 0.8263013621688151
Energy: 0.28736669641220214
Energy: 0.8263013621089488
Energy: -0.38440994071796225
Energy: 0.7562241800395996
Energy: -0.23205984793893772
Energy: 0.7562241638634093
Energy: -0.13265810238764428
Energy: 0.9673606686153845
Energy: 0.14666624905555928
Energy: 0.9673606685444435
Energy: -0.4565092641653449
Energy: 0.7262803735782388
Energy: -0.25493025256532065
Energy: 0.7262803735817194
Energy: -0.30728515456796185
Energy: 0.4485467692712345
Energy: 0.299257376686832
Energy: 0.44854766752593916
Energy: -0.30828961596750293
Energy: 0.868649920539286
Energy: -0.17359242770146516
Energy: 0.8686499205413745

minimum gb energy = -0.5744844651557383 eV
minimum distance =  2.19948579400343 Angstroms
sigma value = 37


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

Energy: 0.5899724126788238
Energy: 0.6267920277838915
Energy: -0.35154619841046064
Energy: 0.626792027782694
Energy: 0.6579121488503227
Energy: 0.7138161377826315
Energy: 0.32125770837055256
Energy: 0.7138161377826315
Energy: 0.36764226210384165
Energy: 0.9769421628222269
Energy: 0.12906617126927128
Energy: 0.9769421628222269
Energy: 0.2025903806499312
Energy: 0.5904505767348455
Energy: 0.19811831177894018
Energy: 0.59045057673245
Energy: 0.18620196249906204
Energy: 0.7195361074732495
Energy: 0.19945234755838437
Energy: 0.7195361074145918
Energy: -0.13747271304539402
Energy: 0.8680063366094336
Energy: 0.3204954169303115
Energy: 0.8680063366094336
Energy: 0.22171196411367572
Energy: 1.0737521810723125
Energy: 0.6424967082410129
Energy: 1.0737521810723125
Energy: 0.07272851040262054
Energy: 0.37569663462051794
Energy: 0.37810371722063085
Energy: 0.3756966346193203
Energy: -0.00273009474407919
Energy: 0.6993651907355616
Energy: 0.48944866349724336
Energy: 0.6993651907439452
Energy: 0.10717702889203763
Energy: 0.7174135484163701
Energy: 0.3241339084963549
Energy: 0.7174135484163701
Energy: 0.23410313829243537
Energy: 0.9726563531013007
Energy: 0.1752612338831548
Energy: 0.9726563531024984
Energy: 0.4606419283137004
Energy: 0.7181922558957288
Energy: 0.18621867191952488
Energy: 0.7181922559077053
Energy: 0.3436152322213195
Energy: 0.8781891252762297
Energy: -0.09461374914789376
Energy: 0.8781891252762297
Energy: 0.6247177908995831
Energy: 1.0732429312342469
Energy: 0.16799534165299213
Energy: 1.0732429312342469
Energy: 0.5812489141168595
Energy: 0.6241569243472597
Energy: 0.08330681232765871
Energy: 0.6241569243688173
Energy: 0.4805785702623159
Energy: 0.6581554850196152
Energy: -0.009547707118039133
Energy: 0.6581554850196152
Energy: 0.33998413158483254
Energy: 0.7184193395786534
Energy: -0.18827607969547366
Energy: 0.718419339577456
Energy: 0.16453609403964148
Energy: 0.969680614183082
Energy: 0.19877932396430284
Energy: 0.969680614183082
Energy: 0.23924851172710962
Energy: 0.6595959002559283
Energy: 0.13119599280280395
Energy: 0.6595959002511377
Energy: 0.13284083003120584
Energy: 0.9430779561732224
Energy: 0.32581520429603616
Energy: 0.9430779561732224

minimum gb energy = -0.35154619841046064 eV
minimum distance =  2.20794095842793 Angstroms
sigma value = 25


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

Energy: 0.29284883900556313
Energy: 0.7465550329505127
Energy: -0.5264369939431236
Energy: 0.7465550329505127
Energy: 0.13383915276438274
Energy: 0.7453540197448394
Energy: 0.2280964721452395
Energy: 0.7453540197467098
Energy: 0.24766522953721376
Energy: 0.02349836191081075
Energy: -0.46385750490196764
Energy: 0.023498361911745955
Energy: -0.18434891934944012
Energy: 0.7790473781906267
Energy: 0.22650534646545323
Energy: 0.779047378191562
Energy: 0.20823729463559765
Energy: 0.8076000859495566
Energy: -0.2670846374935621
Energy: 0.8076000859486214
Energy: -0.5419933130342541
Energy: 0.7982341299498799
Energy: 0.22786109474699087
Energy: 0.7982341299489447
Energy: 0.21850186866670857
Energy: 0.5583726709346443
Energy: -0.22727010082576937
Energy: 0.5583726696857589
Energy: -0.6782044968946793
Energy: 0.583563225874222
Energy: 0.24911491282611306
Energy: 0.583563225874222
Energy: 0.2070054899225875
Energy: 0.7840824904391629
Energy: 0.10158067803495816
Energy: 0.7840824903998841
Energy: -0.5734364298450272
Energy: 0.776099723935977
Energy: 0.29569884259688134
Energy: 0.7760997239350419
Energy: 0.21208689486892696
Energy: 0.5404313614452817
Energy: 0.08159703610054218
Energy: 0.5404313614480873
Energy: -0.4997994358774265
Energy: 0.8316785362335934
Energy: 0.24791049598625586
Energy: 0.8316785362335934
Energy: 0.20865858290427045
Energy: 0.7827650205419463
Energy: -0.165697138257022
Energy: 0.7827650205410112
Energy: -0.20012434403795815
Energy: 0.7898845770842794
Energy: 0.2274799308204537
Energy: 0.789884577082409
Energy: 0.22496622673154412
Energy: 0.5363282395533582
Energy: -0.5445452876673383
Energy: 0.5363282395608399
Energy: 0.22943369960445165
Energy: 0.8102013967268229
Energy: 0.21495091211983333
Energy: 0.8102013967258875
Energy: 0.208832982500324
Energy: 0.5811719732860973
Energy: -0.6727877239791014
Energy: 0.581171973285162
Energy: 0.07660792916297575
Energy: 0.7908722355304332
Energy: 0.2254716596083091
Energy: 0.7908722355304332
Energy: 0.30892326445915613
Energy: 0.7799370785628337
Energy: -0.488680666702432
Energy: 0.7799370785628337
Energy: 0.1426035153531896
Energy: 0.7987894535329485
Energy: 0.17139495367860114
Energy: 0.7987894535338839
Energy: 0.2092994487478448
Energy: 0.8186990290774843
Energy: -0.6084200293945288
Energy: 0.8186990290784193
Energy: -0.23732049108858094
Energy: 0.7589049961515013
Energy: 0.22901087795802713
Energy: 0.7589049836037727
Energy: 0.1833799164095535
Energy: 0.15741866479781047
Energy: -0.24181144136782548
Energy: 0.15749361393309852
Energy: -0.21094243166416682
Energy: 0.8010808613740105
Energy: 0.18373256410818167
Energy: 0.8010808613749456
Energy: -0.3119535385036378
Energy: 0.8184528837895257
Energy: 0.18931542446514685
Energy: 0.818452883795137
Energy: -0.14735449471299805
Energy: 0.5789833057315015
Energy: 0.1881514234949351
Energy: 0.5789833057315015

minimum gb energy = -0.6782044968946793 eV
minimum distance =  2.21451401400055 Angstroms
sigma value = 41


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

Energy: 0.16964380729372713
Energy: 0.5887169885562147
Energy: -0.6462366324939287
Energy: 0.5887169885301463
Energy: -0.2594044692914324
Energy: 0.6434733382195735
Energy: -0.45709696059651606
Energy: 0.6434733382195735
Energy: -0.19607902324412577
Energy: 0.5386051944138827
Energy: -0.41165482307820356
Energy: 0.5386051944138827
Energy: -0.49720028985960474
Energy: 0.5978116659296686
Energy: -0.4685399811967946
Energy: 0.5978116659289018
Energy: -0.09230492036686166
Energy: 0.6704754243792153
Energy: -1.2596115251026883
Energy: 0.670475424379982
Energy: -0.8102814765092257
Energy: 0.6036808566969089
Energy: -0.46238253375436933
Energy: 0.6036808566854082
Energy: -0.3273728841254433
Energy: 0.5669628924453309
Energy: -0.27358744865569823
Energy: 0.5669628924430309
Energy: -0.42969776914495866
Energy: 0.43641841118369756
Energy: -0.41132418457149894
Energy: 0.43641841123426606
Energy: -0.6375015942045704
Energy: 0.004465347490286895
Energy: -0.5250545350412392
Energy: 0.005080859553759496
Energy: -0.7763874958722338
Energy: 0.6137601201541646
Energy: -0.1995050908980244
Energy: 0.6137601201533978
Energy: -0.646617170201354
Energy: 0.6481454501781968
Energy: -0.14817391714321504
Energy: 0.6481454501866307
Energy: -0.41122637563972964
Energy: 0.6167112661659746
Energy: 0.2711530911575333
Energy: 0.6167112661659746
Energy: -0.2267194244775688
Energy: -0.02186638204161495
Energy: -0.26311870308769275
Energy: -0.02186442762047047
Energy: -0.4413241645136864
Energy: 0.1879010773315027
Energy: -0.18476721206034222
Energy: 0.1879078794924207
Energy: -0.280138981908818
Energy: 0.5620294351583487
Energy: -0.4720762684797132
Energy: 0.5620294351522149
Energy: -0.22405318105044206
Energy: 0.15262929277935927
Energy: -0.46994669262788025
Energy: 0.15262925768465435
Energy: -0.3825294967560329
Energy: 0.6050970220534447
Energy: -0.7940534917079746
Energy: 0.6050970239740017
Energy: -0.1492069036778097
Energy: 0.052132611521427404
Energy: -0.574583378472554
Energy: 0.051851280140905884
Energy: -0.36235900870788745
Energy: 0.42808179579741945
Energy: -0.4702568770366681
Energy: 0.4280817957614186
Energy: 0.07128419720168476
Energy: 0.023544378930010584
Energy: -0.6128891305048588
Energy: 0.023549346738054613
Energy: -0.055072237850480085
Energy: 0.6126130094079677
Energy: -0.9232849224115224
Energy: 0.6126130093818993
Energy: -0.23923170521823375
Energy: 0.49274454789975725
Energy: -0.4566623694139284
Energy: 0.4927445547710773
Energy: 0.1062586848392863
Energy: 0.6052900046522064
Energy: -0.5236120009846627
Energy: 0.6052900046522064
Energy: -0.24039400034865027
Energy: 0.6766524405178523
Energy: -0.5451196507173154
Energy: 0.6766524405178523
Energy: -0.0397769130058167
Energy: 0.6398313806595588
Energy: -0.9277650036911776
Energy: 0.6398313806587921
Energy: -0.46462164333561223
Energy: 0.6479338720778873
Energy: -0.40724109329708613
Energy: 0.6479338720771207
Energy: -0.43672005660725416
Energy: 0.6162109042583227
Energy: -0.23104139979356747
Energy: 0.6162109042567893
Energy: -0.1993560119166605
Energy: 0.630509993152298
Energy: -0.6348386181735527
Energy: 0.6305099931530648
Energy: -0.055880169503661106
Energy: 0.6366004069772235
Energy: -0.17242776673057347
Energy: 0.6366004069435227
Energy: -0.49187987996950505
Energy: 0.6294719182197076
Energy: -0.3931907270693792
Energy: 0.6294719181683375
Energy: -0.5075546130901667
Energy: 0.11859099405858198
Energy: 0.06970145143189778
Energy: 0.11872858610748126
Energy: -0.46504290594918674
Energy: 0.6345673881419891
Energy: -0.21213438208344237
Energy: 0.634567388139689

minimum gb energy = -1.2596115251026883 eV
minimum distance =  2.2089596987634 Angstroms
sigma value = 15


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

Energy: 0.24301743665839684
Energy: -0.4083457602621153
Energy: -1.670302081121652
Energy: -0.6812551976834976
Energy: -0.632164473292507
Energy: -0.5527993941798803
Energy: -0.8252982252214467
Energy: -0.6144786584726689
Energy: -0.594380256015709
Energy: 0.4749331892012158
Energy: -1.0531690765059258
Energy: 0.47493318919277205
Energy: -0.7473266759650558
Energy: -0.7095947356219122
Energy: -0.7684342240295209
Energy: -0.8798125184533355
Energy: -0.9703495642103159
Energy: -0.529874131167687
Energy: -0.7942716378729016
Energy: -0.5298738488375352
Energy: -0.9012068444001116
Energy: -0.4424933065601208
Energy: -0.8875724514030731
Energy: -0.6266805086986128
Energy: -0.7707422646992735
Energy: -0.6867565410729527
Energy: -1.1194902327677085
Energy: -0.7518157591621534
Energy: -0.9971585891968223
Energy: 0.47782346173778156
Energy: -0.7406692747179451
Energy: 0.47782346172479123
Energy: -1.3004206727306504
Energy: -0.3494726916622038
Energy: -1.013183294500754
Energy: -0.22345754643128404
Energy: -1.3708355545350563
Energy: -0.6253992914973628
Energy: -0.9343683940310519
Energy: -0.6282979996146267
Energy: -0.8255864168613734
Energy: -1.0263445902850232
Energy: -0.6700866878670365
Energy: -0.9814810400384691
Energy: -1.1406700709361122
Energy: -0.9568375008143271
Energy: -0.7574689207228363
Energy: -0.8225678689602192
Energy: -1.344315711665501
Energy: 0.5267550025636316
Energy: -0.8328812069682994
Energy: 0.5267550025642812
Energy: -1.2583831380105936
Energy: -0.6081591114856428
Energy: 0.1030518871605832
Energy: -0.6368002933636605
Energy: -0.8172870083290775
Energy: -0.8106370347793459
Energy: -0.5779632851227425
Energy: -0.6093730763517241
Energy: -1.172092723408144
Energy: 0.5471098036287536
Energy: -0.7598654420378871
Energy: 0.5471098036274545
Energy: -1.23943986184424
Energy: 0.5419259101384389
Energy: -0.7738166926506201
Energy: 0.5419259101384389
Energy: -1.0489178605247809
Energy: -0.6129156995373911
Energy: -0.8611784784534152
Energy: -0.6087055196972122
Energy: -0.8115517907107539
Energy: 0.5038528176033883
Energy: -0.8898137156870123
Energy: 0.5038528176059864
Energy: -1.2453766839623635
Energy: -0.7425673509270816
Energy: -0.7437414754373732
Energy: -0.8640880524736414
Energy: -0.8531671291625046
Energy: -0.34540645097078027
Energy: -1.0698025365784707
Energy: -0.17936007838086673
Energy: -0.5174366282176642
Energy: -0.7428689020189608
Energy: -1.4279595664794993
Energy: -0.7411333088107152
Energy: -0.819452070264488
Energy: 0.5173204703320304
Energy: -1.4299058754418505
Energy: 0.5173204703320304
Energy: -0.7360619351975477
Energy: 0.5254819201734872
Energy: -0.8016697933132297
Energy: 0.5254819201734872
Energy: -0.0038049164841728856
Energy: -0.26516363827263384
Energy: -1.4614419618506962
Energy: -0.1911051668686813
Energy: -0.4172103271332219
Energy: -0.37754156524676125
Energy: -1.248151250701926
Energy: -0.38215528165905205
Energy: 0.1072278163739759
Energy: -0.5983847533226321
Energy: -1.418128471435123
Energy: -0.6299084207020336
Energy: -0.4253473239248184
Energy: -0.29868495829986397
Energy: -0.694652289263727
Energy: -0.446309966513264
Energy: -0.006007788025612017
Energy: 0.598208172837624
Energy: -1.1559432859565
Energy: 0.598208172838923
Energy: -0.5712874790193032
Energy: 0.539444599866166
Energy: -1.2548884480593425
Energy: 0.539444599866166
Energy: -0.058196498339340326
Energy: -0.7578424540673159
Energy: -1.044992555819229
Energy: -0.759346797201439
Energy: -0.8764944640361595
Energy: -0.3389024680616623
Energy: -0.8809393687529171
Energy: -0.44770343091593384
Energy: -1.3115471508325367
Energy: 0.5425676530976222
Energy: -1.0212259781078332
Energy: 0.5425676531099631
Energy: -1.2569169609262894
Energy: -0.220057606526016
Energy: -1.2557707051191396
Energy: -0.2870227963032308
Energy: -1.5941244820242042
Energy: 0.4744674508992914
Energy: -0.9086413793575085
Energy: 0.47446745097658394
Energy: -1.4181021035759847
Energy: -0.3461844842981262
Energy: -0.21348290282700552
Energy: -0.44496574120936633
Energy: -0.8718256640468648
Energy: -0.3249057545701282
Energy: -0.7665109004967785
Energy: -0.44246425673737066

minimum gb energy = -1.670302081121652 eV
minimum distance =  2.27340737172262 Angstroms
sigma value = 85


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

Energy: 0.5837697373025322
Energy: 0.46801936675247446
Energy: -0.8951084914545392
Energy: 0.4680193667519112
Energy: 0.4628588700870669
Energy: 0.28837825300340025
Energy: -0.1832124645767789
Energy: 0.288379226597946
Energy: 0.5402983662142324
Energy: 0.5020713420336108
Energy: -0.6069074231772298
Energy: 0.5020713420336108
Energy: -0.06200900195181798
Energy: 0.22476936933368194
Energy: -0.44602762049173045
Energy: 0.22478082501833635
Energy: 0.12008654533309339
Energy: 0.41132700310261266
Energy: -0.5224173953938341
Energy: 0.41132700310317594
Energy: -0.028077727696721812
Energy: 0.2830513768188142
Energy: -0.1761121020034302
Energy: 0.28305151019156116
Energy: 0.008445742498389282
Energy: 0.47998639241744556
Energy: -0.3441534105757165
Energy: 0.47998639248220265
Energy: -0.0970801203889915
Energy: 0.30049386758343105
Energy: 0.06956849013113706
Energy: 0.3004938677174518
Energy: 0.021593726149657388
Energy: 0.43583324033183907
Energy: -0.46035162608146313
Energy: 0.43583324033183907
Energy: -0.35573973594371705
Energy: 0.4683316868434773
Energy: 0.027745835905696802
Energy: 0.4683316868434773
Energy: -0.14602519407675518
Energy: 0.28623554830723075
Energy: 0.07241558893563321
Energy: 0.2862355891545412
Energy: -0.6129666681105945
Energy: 0.2685339663363926
Energy: 0.1674020666512244
Energy: 0.26853988063252154
Energy: 0.01014008338507589
Energy: 0.46356221703831996
Energy: 0.016409704627636478
Energy: 0.4635622171104002
Energy: -1.0573834438813443
Energy: 0.4608570071443603
Energy: 0.08621648840306351
Energy: 0.46085700714267025
Energy: -0.06167188717409701
Energy: 0.46789991140520537
Energy: 0.2899581460341963
Energy: 0.46789991154823934
Energy: -0.47660731451666105
Energy: 0.4580154736224365
Energy: 0.447011690648253
Energy: 0.4580154736331397
Energy: 0.020038639010265497
Energy: 0.4602457505104091
Energy: 0.6408601002594387
Energy: 0.46024575050984573
Energy: -0.7734672018784886
Energy: 0.4337654484160429
Energy: 0.10459255098468224
Energy: 0.43376544841547954
Energy: -0.01765676014891689
Energy: 0.2981008859168707
Energy: 0.026523633351509906
Energy: 0.29810102111851144
Energy: -0.45978640330953935
Energy: 0.4454364925048492
Energy: 0.16083435636357993
Energy: 0.44543649266532076
Energy: 0.019580267486460804
Energy: 0.4892542557947011
Energy: -0.1693223247759957
Energy: 0.48925425579413784
Energy: -0.4618227933104931
Energy: 0.2501541308413376
Energy: 0.014184869798934784
Energy: 0.2501534460131408
Energy: -0.11541568335001896
Energy: 0.27360975554577704
Energy: -0.0002809472044505745
Energy: 0.27360990659691803
Energy: -0.07125468540338675
Energy: 0.4260877560069732
Energy: 0.06830196643557138
Energy: 0.4260877567806266
Energy: -0.24777281635942572
Energy: 0.34430407645855987
Energy: -0.25167727571654075
Energy: 0.34430407645855987
Energy: -0.14276836221238878
Energy: 0.3018719619231195
Energy: -0.13211616847667085
Energy: 0.3018719697144249
Energy: 0.05914201244552632
Energy: 0.26136569958889205
Energy: -0.5751048932413003
Energy: 0.26266069921184865
Energy: 0.30501021479527374
Energy: 0.4792847219158751
Energy: 0.07100210950161502
Energy: 0.47928472191249516
Energy: 0.10464506958380705
Energy: 0.48014733267791004
Energy: -1.0460836808347989
Energy: 0.4801473326790367
Energy: 0.3882272823359318
Energy: 0.2242136361985513
Energy: -0.10242474350337819
Energy: 0.18926534341585527
Energy: 0.5831246064082173
Energy: 0.4744099308693896
Energy: -0.5655285513727412
Energy: 0.47440993087107963
Energy: 0.47146653374956354
Energy: 0.4797960699152931
Energy: 0.06936316109788726
Energy: 0.47979606991585644
Energy: 0.07941537939992242
Energy: 0.4621638335408208
Energy: -0.9811386611522621
Energy: 0.4621638335402575
Energy: 0.3788337062581927
Energy: 0.45716126144300684
Energy: -0.10898695064331702
Energy: 0.4571612614204737
Energy: 0.1920370144976227
Energy: 0.4347505528115928
Energy: -0.3344326575033617
Energy: 0.4347506875959872
Energy: 0.08352129526142604
Energy: 0.4817484427757421
Energy: -0.18112837420612815
Energy: 0.48174844277630535
Energy: -0.1534152951564015
Energy: 0.468766783613523
Energy: -0.33058216307652355
Energy: 0.46876678360563634
Energy: 0.045273014610778345
Energy: 0.459611704579803
Energy: -0.10795422831930468
Energy: 0.45961170458149303
Energy: -0.040192639474389315
Energy: 0.489238143048174
Energy: -0.0405310332391801
Energy: 0.48923814303636975
Energy: -0.315299465273194
Energy: 0.3492753189503739
Energy: -0.15811524207697256
Energy: 0.34927535263986625
Energy: -0.10606661484030544
Energy: 0.5070591743576768
Energy: 0.22639846905873004
Energy: 0.507059174331226
Energy: -0.6395599834748467
Energy: 0.22389528958242677
Energy: 0.18817443772943288
Energy: 0.22471126259819885
Energy: -0.03741941549056371
Energy: 0.4875817828461745
Energy: 0.3485116570099282
Energy: 0.4875817828450478

minimum gb energy = -1.0573834438813443 eV
minimum distance =  2.2415030235614 Angstroms
sigma value = 113


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

Energy: 0.017065261596748697
Energy: 0.017757854737620694
Energy: 0.4550229364976242
Energy: 0.017757854737187637
Energy: 0.4535345104335909
Energy: 0.08238429057293863
Energy: -5.340112082684547
Energy: 0.08238429057293863
Energy: 0.017065261596748697
Energy: 0.017757854737187637
Energy: 0.4549528233527767
Energy: 0.017757854737187637
Energy: 0.453534510434457
Energy: 0.08238429057293863
Energy: -5.340112082684136
Energy: 0.08238429057293863
Energy: 0.017065261596748697
Energy: 0.017757854737620694
Energy: -1.341779079886744
Energy: 0.017757854737187637
Energy: 0.45353451043318194
Energy: 0.08238429057293863
Energy: -5.340112082684136
Energy: 0.08238429057293863

minimum gb energy = -5.340112082684547 eV
minimum distance =  2.55705200073874 Angstroms
sigma value = 1