Model name: model_name=Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8886456787586208
cohesive_energy=4.178986868850123
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: 0.012652810229187043
Energy: 0.012960907911377067
Energy: 2.397935194859759
Energy: 0.012960907911377067
Energy: 0.012960907911377067
Energy: 0.012990214598653902
Energy: 0.41440114198281686
Energy: 0.012990214598653902
Energy: 2.3979351948588037
Energy: 0.41440114198281686
Energy: 0.4142528993919268
Energy: 0.41440114198281686
Energy: 0.012960907911377067
Energy: 0.012990214598653902
Energy: 0.41440114198281686
Energy: 0.012990214598653902

minimum gb energy = 0.012652810229187043 eV
minimum distance =  2.49850215567278 Angstroms
sigma value = 1


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

Energy: 1.544456513553317
Energy: 1.8079400580946985
Energy: 1.034320747095479
Energy: 1.807940058093507
Energy: 1.7631954121199334
Energy: 1.4026134666139445
Energy: 1.1541243814653537
Energy: 1.4026134666139445
Energy: 1.8180794045401052
Energy: 1.0342251220963639
Energy: 1.008739503328134
Energy: 1.0342251220963639
Energy: 1.5703605017728113
Energy: 1.456797211060112
Energy: 1.0412401481064837
Energy: 1.4567972110613032
Energy: 1.5856616988742915
Energy: 1.5042463006243967
Energy: 1.6126938031325366
Energy: 1.5042463006243967
Energy: 1.7710936986679342
Energy: 1.3397138875836496
Energy: 1.0595553316334987
Energy: 1.3397138875836496
Energy: 1.2559271269943593
Energy: 1.4244896444609578
Energy: 1.064303009052891
Energy: 1.4244896444621495
Energy: 1.2100179506861912
Energy: 1.2618667198184843
Energy: 1.4232824064364422
Energy: 1.2618667198220581
Energy: 1.3095526604992591
Energy: 1.480705856489266
Energy: 1.536030117750015
Energy: 1.480705856489266
Energy: 1.7945865741279003
Energy: 1.5579682862493731
Energy: 1.320288161768973
Energy: 1.5579682862505642
Energy: 1.070312639747864
Energy: 1.50829572574756
Energy: 1.535850424365343
Energy: 1.5082957257463687
Energy: 1.0935994595292962
Energy: 1.0117521555030013
Energy: 1.9425085112036033
Energy: 1.0117521555030013
Energy: 1.2617301500619027
Energy: 1.514880426354507
Energy: 1.6483367613918174
Energy: 1.5148804263533155
Energy: 1.0204604241728124
Energy: 1.465023653610681
Energy: 1.5852590107905669
Energy: 1.465023653610681
Energy: 1.0274396618997321
Energy: 1.4502368928842047
Energy: 1.806563906933272
Energy: 1.4502368928842047
Energy: 1.027210221182572
Energy: 1.344163317074133
Energy: 1.754572396062106
Energy: 1.344163317074133
Energy: 1.020080253656914
Energy: 1.6540911309875104
Energy: 1.583551848156171
Energy: 1.6540911309863193
Energy: 1.3348098801900974
Energy: 1.5122276072413718
Energy: 1.7012300235371587
Energy: 1.5122276072413718
Energy: 1.0665715526884352
Energy: 1.011541952640829
Energy: 1.6978231978045297
Energy: 1.011541952640829
Energy: 1.0725283928151617
Energy: 1.5090221104411028
Energy: 1.354641237654735
Energy: 1.5090221104518247
Energy: 1.794203114886113
Energy: 1.5353392027467034
Energy: 1.3211269776779728
Energy: 1.535339202744321
Energy: 1.309170662018024
Energy: 1.3938132190563333
Energy: 1.60176825421952
Energy: 1.3938132190587162
Energy: 1.2732603317819473
Energy: 1.2333169185455584
Energy: 1.2690114986080065
Energy: 1.2333169185455584
Energy: 1.4921101262836074
Energy: 1.4561262860497353
Energy: 1.0601566974443941
Energy: 1.4561262860497353
Energy: 1.7135608834258227
Energy: 1.340003555840864
Energy: 1.1186903567690158
Energy: 1.340003555840864
Energy: 1.5496936223001085
Energy: 1.516792087705028
Energy: 1.6103588140662106
Energy: 1.5167920877038368
Energy: 1.6016391810861035
Energy: 1.5099950401164
Energy: 1.0368245226316306
Energy: 1.5099950401175914
Energy: 1.8184240978673794
Energy: 1.0351838728019527
Energy: 1.014146652305088
Energy: 1.0351838728019527
Energy: 1.7650250386309896
Energy: 1.430681577627545
Energy: 1.1540568582161053
Energy: 1.4306815776263535
Energy: 1.557903464879578
Energy: 1.6210372795197685
Energy: 1.0573506954274003
Energy: 1.6210372795185772
Energy: 1.7636254226298937
Energy: 1.399185143053251
Energy: 1.0892017780611285
Energy: 1.3991851430520594
Energy: 1.7445451799904175
Energy: 1.2762095621541028
Energy: 1.0124416959721954
Energy: 1.2762095621541028
Energy: 1.5854516225600719
Energy: 1.4957136383370602
Energy: 1.047115975574741
Energy: 1.4957136383382517

minimum gb energy = 1.008739503328134 eV
minimum distance =  2.29499291487891 Angstroms
sigma value = 1


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

Energy: 1.651263027494157
Energy: 1.6169517568225118
Energy: 1.0873166183614467
Energy: 1.6169517568238703
Energy: 1.8368852624291439
Energy: 1.705202516635974
Energy: 1.1158031596654094
Energy: 1.705202516635974
Energy: 1.604908241945244
Energy: 1.0856705426065982
Energy: 1.1003605882321748
Energy: 1.0856705426052402
Energy: 1.1668742798894938
Energy: 1.3673051839113595
Energy: 1.115720008528047
Energy: 1.3673051839072843
Energy: 1.166541873562001
Energy: 1.4246603145143983
Energy: 1.58357723358393
Energy: 1.4246603145143983
Energy: 1.601285798377126
Energy: 1.054834286757454
Energy: 1.0693116799575881
Energy: 1.054834286757454
Energy: 1.18839130654781
Energy: 1.5571536465318856
Energy: 1.0528954917413413
Energy: 1.5571536465305271
Energy: 1.0524318419798842
Energy: 1.0541715371857088
Energy: 1.5524788667196678
Energy: 1.0541715371843505
Energy: 1.0554855116488684
Energy: 1.414045088342759
Energy: 1.4925249017763726
Energy: 1.4140450883414004
Energy: 1.7498464349129468
Energy: 1.0320795058881773
Energy: 1.3027218268893657
Energy: 1.0320795058881773
Energy: 1.1974962801509434
Energy: 1.4639305808707384
Energy: 1.4715497549940262
Energy: 1.4639305808707384
Energy: 1.0849694875128948
Energy: 1.2761544612403881
Energy: 1.9837325877604093
Energy: 1.2761544612403881
Energy: 1.1157565358636605
Energy: 1.6961995426984051
Energy: 1.6677989237896542
Energy: 1.6961995426970466
Energy: 1.1157565358650188
Energy: 1.6961460296525332
Energy: 1.6673912987278119
Energy: 1.6961460296525332
Energy: 1.084989708762892
Energy: 1.2765606137573133
Energy: 1.9103470882090212
Energy: 1.2765606137573133
Energy: 1.1975302953752778
Energy: 1.4639280435250155
Energy: 1.4716565527795957
Energy: 1.4639280435250155
Energy: 1.7498464349129468
Energy: 1.0319038727436591
Energy: 1.3026951393212793
Energy: 1.0319038727436591
Energy: 1.0554955927592482
Energy: 1.4145599712523613
Energy: 1.4922517975587375
Energy: 1.4145599712496446
Energy: 1.052334749788591
Energy: 1.0542636303589727
Energy: 1.5524788667223843
Energy: 1.0542636303603308
Energy: 1.1887755379127392
Energy: 1.5569847661691998
Energy: 1.0528767735956102
Energy: 1.5569847661705583
Energy: 1.601456767661668
Energy: 1.0550418442493097
Energy: 1.069053600240161
Energy: 1.055041844250668
Energy: 1.0341370503082858
Energy: 1.4245497402560428
Energy: 1.5835772335825717
Energy: 1.4245497402574012
Energy: 1.0344278893865009
Energy: 1.3673685797411244
Energy: 1.1157200085266883
Energy: 1.3673685797411244
Energy: 1.6053874225521219
Energy: 1.0853596611922611
Energy: 1.1003122305082451
Energy: 1.0853596611922611
Energy: 1.8368921371226525
Energy: 1.7051374660617136
Energy: 1.1158031596667677
Energy: 1.7051374660617136
Energy: 1.651263027494157
Energy: 1.6169517568252283
Energy: 1.0873166243516792
Energy: 1.6169517568252283
Energy: 1.8368852624291439
Energy: 1.705202516635974
Energy: 1.1158031596667677
Energy: 1.705202516635974
Energy: 1.6049082419425273
Energy: 1.0856705426052402
Energy: 1.100360588233533
Energy: 1.0856705426052402
Energy: 1.166874279890852
Energy: 1.367305183910001
Energy: 1.11572000852533
Energy: 1.367305183910001

minimum gb energy = 1.0319038727436591 eV
minimum distance =  2.30004245565711 Angstroms
sigma value = 25


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

Energy: 1.5962350015799556
Energy: 1.8489711660290324
Energy: 1.1400203989512152
Energy: 1.8489711660290324
Energy: 1.8740977754040833
Energy: 1.3679923792620257
Energy: 1.320539493708664
Energy: 1.3679923792620257
Energy: 1.5981882557622216
Energy: 1.1333926956288463
Energy: 1.1325408058700066
Energy: 1.1333926956288463
Energy: 1.4880001463415304
Energy: 1.458245909079119
Energy: 1.2422207485437067
Energy: 1.458245909079119
Energy: 1.5286606117505495
Energy: 1.5159188587351249
Energy: 1.548329012461064
Energy: 1.5159188587351249
Energy: 1.7655281140208674
Energy: 1.10442977110561
Energy: 1.1952591919852793
Energy: 1.1044297711040307
Energy: 1.2125259278306044
Energy: 1.4265456981696998
Energy: 1.1972821540096326
Energy: 1.4265456981696998
Energy: 1.1178551595712514
Energy: 1.1340056122482247
Energy: 2.004549272713623
Energy: 1.134005612249804
Energy: 1.3005165842173858
Energy: 1.5966911866635556
Energy: 1.5756269010295285
Energy: 1.5966911866635556
Energy: 1.1280865485425469
Energy: 1.4561141514774003
Energy: 1.5382144800269673
Energy: 1.4561141514805582
Energy: 1.1637894791200754
Energy: 1.5463555943317022
Energy: 1.796500972864215
Energy: 1.5463555943317022
Energy: 1.259438916248449
Energy: 1.2667933133006875
Energy: 1.79587044731876
Energy: 1.2667933132991083
Energy: 1.1276720486670955
Energy: 1.4572338408122774
Energy: 1.5378071288331958
Energy: 1.4572338408122774
Energy: 1.300125076635311
Energy: 1.471700726682178
Energy: 1.524514484140895
Energy: 1.4717007266805988
Energy: 1.125289872094079
Energy: 1.1278488346564945
Energy: 2.0034123281184404
Energy: 1.1278488346564945
Energy: 1.2061141080216236
Energy: 1.5328529149822443
Energy: 1.1955011864033809
Energy: 1.5328529149822443
Energy: 2.0212448937072613
Energy: 1.0999110194156796
Energy: 1.197799297807739
Energy: 1.0999110194156796
Energy: 1.6257429974818045
Energy: 1.409081421674269
Energy: 1.5479948785462883
Energy: 1.409081421674269
Energy: 1.4826170290126306
Energy: 1.4605360632974793
Energy: 1.242646878166491
Energy: 1.4605360632959006
Energy: 1.5874225665993982
Energy: 1.276371458692505
Energy: 1.1340424810836998
Energy: 1.276371458692505
Energy: 1.8744983744062271
Energy: 1.370011131958079
Energy: 1.1114181743795672
Energy: 1.370011131958079
Energy: 1.6176513383521434
Energy: 1.8120630136040314
Energy: 1.1933569430745776
Energy: 1.8120630136040314
Energy: 1.7703351765218303
Energy: 1.6444232360278568
Energy: 1.3203420874325587
Energy: 1.6444232360278568
Energy: 1.6754028539159485
Energy: 1.1170169107699086
Energy: 1.1348102846824202
Energy: 1.1170169107699086
Energy: 1.5313332021359978
Energy: 1.5155871674532464
Energy: 1.1386223535931683
Energy: 1.5155871674516672

minimum gb energy = 1.0999110194156796 eV
minimum distance =  2.24801187516728 Angstroms
sigma value = 9


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

Energy: 1.1024720747947765
Energy: 1.1005606641253938
Energy: 1.2453616865997255
Energy: 1.1005606641252013
Energy: 1.305718107486561
Energy: 1.3749464117988506
Energy: 1.19814372728353
Energy: 1.3749464117995998
Energy: 1.1900199493367187
Energy: 1.1993218418894056
Energy: 1.229110418897419
Energy: 1.1993218418894056
Energy: 1.1901445822488979
Energy: 1.164009231625977
Energy: 1.198001456414432
Energy: 1.1640092316261696
Energy: 1.1901590533174904
Energy: 1.1903458097535442
Energy: 1.1901633995837115
Energy: 1.1903458097524098
Energy: 1.9517984443104375
Energy: 1.1640811958716808
Energy: 1.1900842466086285
Energy: 1.164081195871488
Energy: 1.2234834809300785
Energy: 1.1903066709754253
Energy: 1.1901057893505513
Energy: 1.1903066709752328
Energy: 1.2275676181515325
Energy: 1.1946251845860152
Energy: 1.8863339055028225
Energy: 1.1946251845860152
Energy: 1.319958978338052
Energy: 1.3748493999622236
Energy: 1.3058308762778714
Energy: 1.3748493999624163
Energy: 1.3193719920111084
Energy: 1.1604054729379962
Energy: 1.3065554334783018
Energy: 1.160405472937825
Energy: 1.2094222174797309
Energy: 1.3746680597085348
Energy: 1.7473072073339788
Energy: 1.3746680597092837
Energy: 1.2276818499548774
Energy: 1.350330128486528
Energy: 1.1900709191643457
Energy: 1.350330128486164
Energy: 1.3180006964754356
Energy: 1.16404418015131
Energy: 1.174609066711556
Energy: 1.16404418015131
Energy: 1.190539911330247
Energy: 1.629445199441194
Energy: 1.1906698009731271
Energy: 1.629445199441194
Energy: 1.1745668344895022
Energy: 1.163874451728002
Energy: 1.3180006964727815
Energy: 1.1638744517285802
Energy: 1.190082801204068
Energy: 1.3509355966486356
Energy: 1.2277722336375803
Energy: 1.3509355966525955
Energy: 1.7473462873040952
Energy: 1.3744706321533506
Energy: 1.2067812599353798
Energy: 1.374470632152987
Energy: 1.306581515092266
Energy: 1.160135228779852
Energy: 1.319371992010916
Energy: 1.160135228780794
Energy: 1.3054047297525795
Energy: 1.3748522162857897
Energy: 1.3199589783373031
Energy: 1.3748522162854047
Energy: 1.8862737258389148
Energy: 1.1944563500008774
Energy: 1.2275311778706488
Energy: 1.194456350001434
Energy: 1.1901352851226037
Energy: 1.1901797071801727
Energy: 1.2235210953497566
Energy: 1.1901797071798088

minimum gb energy = 1.1005606641252013 eV
minimum distance =  2.34737755124005 Angstroms
sigma value = 25


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

Energy: 1.4801181480165746
Energy: 1.7549186546457776
Energy: 1.3305050754981957
Energy: 1.754918654644613
Energy: 1.7790719526883743
Energy: 1.4490930949267002
Energy: 1.2380239974073475
Energy: 1.4490930949269387
Energy: 1.5834905290011505
Energy: 1.1970180146337808
Energy: 1.2633784144925524
Energy: 1.197018014633569
Energy: 1.3281689417148703
Energy: 1.2592386936513562
Energy: 1.2547792299412466
Energy: 1.2592386936506679
Energy: 1.3226456758142402
Energy: 1.4005779823702842
Energy: 1.721464448360098
Energy: 1.4005779823700457
Energy: 1.7251025577380243
Energy: 1.2258759072501026
Energy: 1.266391765916294
Energy: 1.225875907254285
Energy: 1.2909305711557675
Energy: 1.546286522560007
Energy: 1.3732570284719854
Energy: 1.546286522560245
Energy: 1.4226621428278394
Energy: 1.522545382729798
Energy: 1.6752852478451317
Energy: 1.5225453827300361
Energy: 1.2900253440944174
Energy: 1.4522008240615
Energy: 1.2279402478317538
Energy: 1.4522008240628765
Energy: 1.5876415796392875
Energy: 1.452233258033669
Energy: 1.373750821870361
Energy: 1.4522332580343842
Energy: 1.2354973711680095
Energy: 1.452602892913492
Energy: 1.6218040667739706
Energy: 1.4526028929125656
Energy: 1.2603605899914265
Energy: 1.546984302163703
Energy: 1.2328906190389646
Energy: 1.546984302163253
Energy: 1.5639689000762924
Energy: 1.242300369504721
Energy: 1.2471888597976857
Energy: 1.2423003695051975
Energy: 1.6468168704238995
Energy: 1.6540666001785587
Energy: 1.44414725221098
Energy: 1.6540666001787971
Energy: 1.739566426211832
Energy: 1.741968163132886
Energy: 1.4461549071056214
Energy: 1.741968163133124
Energy: 1.7779807231165363
Energy: 1.2424535793485765
Energy: 1.245021944865287
Energy: 1.2424535793490266
Energy: 1.2616950133666822
Energy: 1.5695036647183402
Energy: 1.2627767055848174
Energy: 1.5695036647202196

minimum gb energy = 1.197018014633569 eV
minimum distance =  2.31207143370142 Angstroms
sigma value = 17


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

Energy: 1.634746051218177
Energy: 1.7176372187625983
Energy: 1.4839179760242482
Energy: 1.717637218761279
Energy: 1.7623445069989505
Energy: 1.4564069034573197
Energy: 1.3208130825337399
Energy: 1.4564069034573197
Energy: 1.5139974400232887
Energy: 1.2409624543360438
Energy: 1.2677480585521241
Energy: 1.240962454337363
Energy: 1.2624371245878956
Energy: 1.2381227629848632
Energy: 1.3024867648079226
Energy: 1.2381227629835438
Energy: 1.3120327360924577
Energy: 1.4252635339983342
Energy: 1.6009928484648843
Energy: 1.4252635339983342
Energy: 1.5569680078281527
Energy: 1.6734485886289794
Energy: 1.4121107245872133
Energy: 1.6734485886289794
Energy: 1.3523663205333691
Energy: 1.4025681145236517
Energy: 1.6227051623953976
Energy: 1.402568114534206
Energy: 1.3207924437725294
Energy: 1.3544986390155604
Energy: 1.571641374570381
Energy: 1.354498639014241
Energy: 1.2580549477790375
Energy: 1.4136779073645815
Energy: 1.3255402423516953
Energy: 1.4136779073645815
Energy: 1.6007605077849223
Energy: 1.4361361662946484
Energy: 1.3772767514989537
Energy: 1.4361361662946484
Energy: 1.298366138044671
Energy: 1.2718103075000762
Energy: 1.5035072211619422
Energy: 1.2718103074895217
Energy: 1.344950276523281
Energy: 1.5761042919008548
Energy: 1.3697066536811828
Energy: 1.5761042919021742
Energy: 1.642614732628804
Energy: 1.4763240503208164
Energy: 1.3568134994122172
Energy: 1.4763240503208164
Energy: 1.3425517682687722
Energy: 1.4371029826289048
Energy: 1.356639955252523
Energy: 1.4371029826289048
Energy: 1.2962780355654584
Energy: 1.5787876138839496
Energy: 1.621780308949657
Energy: 1.5787876138852388
Energy: 1.6088781817221591
Energy: 1.5207685752141349
Energy: 1.3230153326356995
Energy: 1.5207685752141349
Energy: 1.2767215782324723
Energy: 1.5148572628420396
Energy: 1.3076736134339935
Energy: 1.514857262843359
Energy: 1.3603854225512806
Energy: 1.3973085390294686
Energy: 1.747398471061534
Energy: 1.3973085390294686
Energy: 1.459509818251282
Energy: 1.693491211723298
Energy: 1.6015011209386785
Energy: 1.6934912117246175
Energy: 1.6866820726939882
Energy: 1.5995534749874876
Energy: 1.5485069222317895
Energy: 1.5995534749861684
Energy: 1.2530882765814848
Energy: 1.4466330448094291
Energy: 1.597933975261954
Energy: 1.4466330448107485
Energy: 1.2779840462895926
Energy: 1.517151275207384
Energy: 1.2648986873257058
Energy: 1.5171512752047454
Energy: 1.5958420595339038
Energy: 1.2695902477964096
Energy: 1.2707350477551151
Energy: 1.2695902478043255
Energy: 1.6121958525742526
Energy: 1.435561782382521
Energy: 1.5523680245678222
Energy: 1.4355617823798825
Energy: 1.6384702424810593
Energy: 1.4368397128553754
Energy: 1.5523915378158266
Energy: 1.4368397128566945
Energy: 1.6428783977671941
Energy: 1.270279110484724
Energy: 1.2821065721420544
Energy: 1.2702791104860431
Energy: 1.2782911598067799
Energy: 1.5699534074825547
Energy: 1.2647758109910028
Energy: 1.5699534074825547
Energy: 1.2781643758142849
Energy: 1.2544349471121141
Energy: 1.5837652817516261
Energy: 1.2544349471147527
Energy: 1.5430651285983261
Energy: 1.6210372047011465
Energy: 1.5717017923187588
Energy: 1.6210372047011465
Energy: 1.3394109773551237
Energy: 1.6853434140034376
Energy: 1.415749887994732
Energy: 1.6853434140034376

minimum gb energy = 1.2381227629835438 eV
minimum distance =  2.24554104922426 Angstroms
sigma value = 53


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

Energy: 1.2011481874072836
Energy: 1.315037433809134
Energy: 1.3571227913068793
Energy: 1.3150374338094446
Energy: 1.2209986866726916
Energy: 1.4229929379459079
Energy: 1.2780059353112099
Energy: 1.4229929379474267
Energy: 1.6975544047751692
Energy: 1.297453777147765
Energy: 1.2773570855653233
Energy: 1.297453777147765
Energy: 1.2773158225010173
Energy: 1.2968808186738023
Energy: 1.6976555883377995
Energy: 1.296880818673492
Energy: 1.2780724312214018
Energy: 1.422994066947148
Energy: 1.2209891466494682
Energy: 1.422994066946837
Energy: 2.570393554958274
Energy: 1.315037433809134
Energy: 1.2011481874079044
Energy: 1.315037433809134
Energy: 1.2780059353139366
Energy: 1.4229929379459079
Energy: 1.2209986866726916
Energy: 1.4229929379474267
Energy: 1.2773570855659446
Energy: 1.2974537771474546
Energy: 1.6975544047751692
Energy: 1.297453777147765
Energy: 1.6976555883365574
Energy: 1.296880818673492
Energy: 1.2773158224994985
Energy: 1.2968808186725944
Energy: 1.2209891466494682
Energy: 1.422994066947148
Energy: 1.2780724312222993
Energy: 1.4229940669474586
Energy: 1.2011481874075942
Energy: 1.315037433809134
Energy: 1.3571227913090191
Energy: 1.3150374338097206
Energy: 1.2209986866726916
Energy: 1.4229929379474267
Energy: 1.2780059353108992
Energy: 1.422992937947116
Energy: 1.6975544047751692
Energy: 1.2974537771474546
Energy: 1.2773570855671526
Energy: 1.2974537771483863

minimum gb energy = 1.2011481874072836 eV
minimum distance =  2.40862403081478 Angstroms
sigma value = 9


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

Energy: 1.629492218768033
Energy: 1.6400317484656928
Energy: 2.0468471106000683
Energy: 1.6400317484656928
Energy: 1.758205769815093
Energy: 1.687586364065983
Energy: 1.5068489272110208
Energy: 1.6875863640682311
Energy: 1.4051279663118712
Energy: 1.4138905738891434
Energy: 1.348126675493741
Energy: 1.4138905738891434
Energy: 1.3647885091574439
Energy: 1.469216015273002
Energy: 1.453906125698285
Energy: 1.469216015271878
Energy: 1.4584386513677674
Energy: 1.5992017713856348
Energy: 1.745250091918113
Energy: 1.5992017713867588
Energy: 1.7955453703492408
Energy: 1.5101654980570105
Energy: 1.4629417827614777
Energy: 1.5101654980558865
Energy: 1.485312697517237
Energy: 1.658251492074842
Energy: 1.7970763948489312
Energy: 1.658251492074842
Energy: 1.3418553917979779
Energy: 1.4778612714441715
Energy: 1.5015902033557684
Energy: 1.4778612714441715
Energy: 1.407025908239838
Energy: 1.5412039750136393
Energy: 1.4152994238189591
Energy: 1.5412039750125153
Energy: 1.4531471199477282
Energy: 1.5552705341267377
Energy: 1.4353177693203174
Energy: 1.5552705341267377
Energy: 1.3904814879671938
Energy: 1.515660704309666
Energy: 1.8463595242530944
Energy: 1.5156607043107897
Energy: 1.8041607033188176
Energy: 1.5277623192286438
Energy: 1.4259971797454782
Energy: 1.527762319229768
Energy: 1.4316595132362668
Energy: 1.4380644475724738
Energy: 1.3627576605534701
Energy: 1.4380644475724738
Energy: 1.4386884560544386
Energy: 1.5379123813913886
Energy: 1.5419790082627607
Energy: 1.5379123813913886
Energy: 1.412385211161457
Energy: 1.5586861389407134
Energy: 1.3977838033671166
Energy: 1.5586861389407134
Energy: 1.8321719851073412
Energy: 1.4495816753865078
Energy: 1.356560862282482
Energy: 1.4495816753887565
Energy: 1.4611451507683269
Energy: 1.5603297320250478
Energy: 1.7933977108534365
Energy: 1.5603297320250478
Energy: 1.358866997269941
Energy: 1.5407882682500755
Energy: 1.4344117037154542
Energy: 1.5407882682511997
Energy: 1.788817494577868
Energy: 1.6005223641545958
Energy: 1.522709923470163
Energy: 1.6005223641545958
Energy: 1.4091533035513033
Energy: 1.5454560500502645
Energy: 1.3742841740496516
Energy: 1.5454560500491403
Energy: 1.3903200147585972
Energy: 1.454309467921678
Energy: 1.7660130709638622
Energy: 1.4543094679205542
Energy: 1.6258222663790787
Energy: 1.6814795143232883
Energy: 1.458069909527288
Energy: 1.6814795143232883
Energy: 1.549961274807742
Energy: 1.575450699276158
Energy: 1.507990924374823
Energy: 1.575450699276158
Energy: 1.449080085588965
Energy: 1.3981331716118819
Energy: 1.8734619266141146
Energy: 1.398133171619751
Energy: 1.4114484503832403
Energy: 1.5558385684102436
Energy: 1.372934372790653
Energy: 1.5558385684102436
Energy: 1.5959138782452345
Energy: 1.4653569586008526
Energy: 1.3932582081314688
Energy: 1.4653569585986042
Energy: 1.7471081503281047
Energy: 1.6285090818653334
Energy: 1.6776775965495316
Energy: 1.6285090818642094
Energy: 1.5711898487712728
Energy: 1.6549233392484515
Energy: 1.612895247847439
Energy: 1.654923339247327
Energy: 1.7535852091282544
Energy: 1.5005665886767021
Energy: 1.3944407299515462
Energy: 1.5005665886767021
Energy: 1.370000039181644
Energy: 1.5593193457757077
Energy: 1.3493461680572454
Energy: 1.5593193457757077
Energy: 1.4405418906800214
Energy: 1.4587638467776112
Energy: 1.8335175588473946
Energy: 1.4587638467753627
Energy: 1.5457249846353336
Energy: 1.5997029782386338
Energy: 1.4951862430695129
Energy: 1.5997029782386338
Energy: 1.7767808540028904
Energy: 1.6726249977483902
Energy: 1.4589440282098132
Energy: 1.6726249977461423
Energy: 1.391446322589864
Energy: 1.4415014542043114
Energy: 1.784703012699122
Energy: 1.4415014542065598
Energy: 1.3638843498113724
Energy: 1.5515333615350064
Energy: 1.3725700491629427
Energy: 1.5515333615350064

minimum gb energy = 1.3418553917979779 eV
minimum distance =  2.28577757438177 Angstroms
sigma value = 73


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

Energy: 1.5257885177198542
Energy: 1.7706756095533966
Energy: 1.628112558704179
Energy: 1.77067560955287
Energy: 1.607557720573599
Energy: 1.5698855321590124
Energy: 1.498115927319473
Energy: 1.569885532158465
Energy: 1.4131292405414142
Energy: 1.4711350713194702
Energy: 1.3632276356666024
Energy: 1.4711350713194702
Energy: 1.3651638157255035
Energy: 1.5629942099560972
Energy: 1.464785133585796
Energy: 1.5629942099562795
Energy: 1.5282934253360858
Energy: 1.594486194942889
Energy: 1.4847754899834973
Energy: 1.594486194943071
Energy: 1.9262810914954045
Energy: 1.5996170701623738
Energy: 1.423333285731987
Energy: 1.5996170701618466
Energy: 1.4434232992595695
Energy: 1.6210076228337105
Energy: 1.6030206154942312
Energy: 1.6210076228331636
Energy: 1.3191227567984332
Energy: 1.42602383718177
Energy: 1.5202817908881052
Energy: 1.4260238371819318
Energy: 1.6035835667691862
Energy: 1.6112349876055287
Energy: 1.524102428864282
Energy: 1.6112349876051844
Energy: 1.3787716868547972
Energy: 1.604037101509507
Energy: 1.4773364593970744
Energy: 1.6040371015103985
Energy: 1.3807244592725825
Energy: 1.4249913465330983
Energy: 1.9068542112101428
Energy: 1.4249913465323891
Energy: 1.5874124797941749
Energy: 1.5977491609429901
Energy: 1.5162386083184674
Energy: 1.5977491609431727
Energy: 1.4756179890741457
Energy: 1.55307344066147
Energy: 1.3732770009996291
Energy: 1.5530734406607603
Energy: 1.4523870134465109
Energy: 1.704344625730856
Energy: 1.9033631664477457
Energy: 1.704344625730856
Energy: 1.3707145179517342
Energy: 1.5643004629162978
Energy: 1.4380951398739292
Energy: 1.5643004629164599
Energy: 1.6196574792133365
Energy: 1.5206843292411805
Energy: 1.4232163052893918
Energy: 1.5206843292411805
Energy: 1.5095063354600442
Energy: 1.6005410272594343
Energy: 1.705442475723435
Energy: 1.6005410272596166
Energy: 1.5754177735538053
Energy: 1.6184685582387908
Energy: 1.7055507244729766
Energy: 1.6184685582387908
Energy: 1.7628576765718076
Energy: 1.5203209191033853
Energy: 1.469404544769629
Energy: 1.52032091910373
Energy: 1.3758500259290312
Energy: 1.575214472670424
Energy: 1.3684720113976685
Energy: 1.575214472669897
Energy: 1.4987911898307755
Energy: 1.4364114777164319
Energy: 1.9070051000463557
Energy: 1.4364114777164319
Energy: 1.4760413332620492
Energy: 1.6067566058056655
Energy: 1.3721011570038972
Energy: 1.6067566058065577

minimum gb energy = 1.3191227567984332 eV
minimum distance =  2.28632833267187 Angstroms
sigma value = 7


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

Energy: 1.8214966359887057
Energy: 1.517459419615323
Energy: 2.1864954651706405
Energy: 1.5174594196140616
Energy: 1.9206219307308068
Energy: 1.61588825216654
Energy: 1.5257188122103682
Energy: 1.61588825216654
Energy: 1.4001171962882544
Energy: 1.501374065560716
Energy: 1.4228223320551332
Energy: 1.5013740655581937
Energy: 1.4524980207857208
Energy: 1.5207912837753461
Energy: 1.5382688812145415
Energy: 1.5207912837753461
Energy: 1.4532091029326804
Energy: 1.577913965101125
Energy: 1.4189298492304983
Energy: 1.577913965101125
Energy: 1.859590888167152
Energy: 1.532030997328932
Energy: 1.5063948481550928
Energy: 1.532030997328932
Energy: 1.519383881787453
Energy: 1.6206946295412263
Energy: 1.7533785672108761
Energy: 1.6206946295424587
Energy: 1.50191033347722
Energy: 1.5397588968081193
Energy: 1.5166257265629224
Energy: 1.5397588968081193
Energy: 1.921606500494336
Energy: 1.6701317363479407
Energy: 1.5051204635121929
Energy: 1.6701317363479407
Energy: 1.4541484444584953
Energy: 1.6077618625657588
Energy: 1.4561435167527266
Energy: 1.60776186256702
Energy: 1.422693693019488
Energy: 1.485820647513701
Energy: 1.7670081430585596
Energy: 1.485820647513701
Energy: 1.6976108527395528
Energy: 1.6603677665276129
Energy: 1.5294620541029285
Energy: 1.6603677665288739
Energy: 1.8269098098183187
Energy: 1.6284623780655925
Energy: 1.5915975824488027
Energy: 1.6284623780655925
Energy: 1.5058699643332354
Energy: 1.5504574839605227
Energy: 1.9252814614492788
Energy: 1.5504574839605227
Energy: 1.4343017831132738
Energy: 1.5571922236176012
Energy: 1.4315642220738134
Energy: 1.5571922236188624
Energy: 1.9685144111952881
Energy: 1.6165212698730071
Energy: 1.4669441040661575
Energy: 1.6165212698717462
Energy: 1.4746782592787062
Energy: 1.5421061902919606
Energy: 1.5166269386490303
Energy: 1.5421061902932218
Energy: 1.5333491082059012
Energy: 1.7843306936070285
Energy: 1.8607108576510754
Energy: 1.7843306936070285
Energy: 1.8455082101785965
Energy: 1.5251188317077005
Energy: 1.4755871097289175
Energy: 1.525118831706439
Energy: 1.4943722570884979
Energy: 1.4951533562734682
Energy: 1.517458111356476
Energy: 1.4951533562747295
Energy: 1.421682172770147
Energy: 1.396919351566527
Energy: 1.572976422626488
Energy: 1.3969193515677882
Energy: 1.4248801206975246
Energy: 1.5362350698459803
Energy: 1.4144239288673726
Energy: 1.5362350698459803
Energy: 1.8243049229127848
Energy: 1.587348263117923
Energy: 1.5346302358424553
Energy: 1.5873482631191842
Energy: 1.8234721748571159
Energy: 1.5691061158550212
Energy: 1.772648901150399
Energy: 1.5691061158550212
Energy: 1.7058745348101216
Energy: 1.7015420695643955
Energy: 1.5206150201892321
Energy: 1.7015420695656567
Energy: 1.5615629061042977
Energy: 1.4525857746401938
Energy: 1.415133330699444
Energy: 1.4525857746401938
Energy: 1.42976801057925
Energy: 1.5203663984892786
Energy: 1.4849165193361609
Energy: 1.5203663984892786
Energy: 1.4456332626011323
Energy: 1.5805126202107092
Energy: 1.8357558760190802
Energy: 1.5805126202107092
Energy: 1.708366435267534
Energy: 1.58789113660699
Energy: 1.3983247927676277
Energy: 1.58789113660699
Energy: 1.7343631288889647
Energy: 1.6248426141575012
Energy: 1.7403773608309943
Energy: 1.6248426141575012
Energy: 1.4123057567988797
Energy: 1.5525514027646563
Energy: 1.6434146423178149
Energy: 1.5525514027646563

minimum gb energy = 1.396919351566527 eV
minimum distance =  2.27866371953653 Angstroms
sigma value = 29


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

Energy: 1.1835536997337572
Energy: 1.61587577421659
Energy: 1.836491375465877
Energy: 1.6158757742157357
Energy: 1.6902685497462355
Energy: 1.2799434083826662
Energy: 1.3006593701861184
Energy: 1.2799434083830812
Energy: 1.5200858654150475
Energy: 1.233439064799796
Energy: 1.2333865363697403
Energy: 1.2334390647989417
Energy: 1.5946310918434166
Energy: 1.5337331276993682
Energy: 1.2504212639567864
Energy: 1.5337331277015156
Energy: 1.737146295269238
Energy: 1.533002441040455
Energy: 1.2330863460113797
Energy: 1.533002441040455
Energy: 1.5207223983673697
Energy: 1.2341314449121636
Energy: 1.232684429420048
Energy: 1.23413144491087
Energy: 1.578698629491484
Energy: 1.231218743760494
Energy: 1.5130251282955178
Energy: 1.2312187437609332
Energy: 1.3187171232364807
Energy: 1.4515463381813904
Energy: 1.923105661457506
Energy: 1.4515463381620857
Energy: 1.691349959250486
Energy: 1.294144505842554
Energy: 1.3596776866223081
Energy: 1.294144505842554

minimum gb energy = 1.1835536997337572 eV
minimum distance =  2.37405120698428 Angstroms
sigma value = 5


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

Energy: 1.5447735637334696
Energy: 1.6374765657493393
Energy: 1.960161795152075
Energy: 1.6374765657481483
Energy: 1.773217014793507
Energy: 1.547498631790469
Energy: 1.516799532513456
Energy: 1.547498631790469
Energy: 1.371876559429313
Energy: 1.5515570945105348
Energy: 1.454773010298758
Energy: 1.5515570945105348
Energy: 1.4206360001503877
Energy: 1.4222901735839473
Energy: 1.5498583329647497
Energy: 1.4222901735839473
Energy: 1.3785543416193207
Energy: 1.5304627719264714
Energy: 1.398529399434755
Energy: 1.5304627719276624
Energy: 1.4913271393558722
Energy: 1.55896414712026
Energy: 1.3460440567686325
Energy: 1.5589641471190687
Energy: 1.4619888973730446
Energy: 1.55676656539247
Energy: 1.5167970819435763
Energy: 1.556766565393661
Energy: 1.4970599847414716
Energy: 1.5568509792316654
Energy: 1.719254132723078
Energy: 1.5568509792328566
Energy: 1.8341015992507688
Energy: 1.5712447417827078
Energy: 1.5574347151931753
Energy: 1.57124474178509
Energy: 1.6579437577613974
Energy: 1.5770255080468665
Energy: 1.51221689508418
Energy: 1.577025508045675
Energy: 1.3383735038498805
Energy: 1.419611166096932
Energy: 1.3900061739064105
Energy: 1.4196111660981232
Energy: 1.336579765006766
Energy: 1.5096789319221977
Energy: 1.3676248215992632
Energy: 1.5096789319221977
Energy: 1.583135480007994
Energy: 1.6767632054985318
Energy: 1.4811365513965273
Energy: 1.6767632054985318
Energy: 1.3588267830306138
Energy: 1.5429832065481397
Energy: 1.3737480755381377
Energy: 1.5429832065481397
Energy: 1.3991989557614308
Energy: 1.6254559110465856
Energy: 1.7419662253464774
Energy: 1.6254559110465856
Energy: 1.858105594948898
Energy: 1.5812435671933331
Energy: 1.545302305842793
Energy: 1.5812435671945244
Energy: 1.6877358215582217
Energy: 1.5949203469909663
Energy: 1.7100560479950124
Energy: 1.5949203469909663
Energy: 1.4467672519074448
Energy: 1.572442736198577
Energy: 1.5748782110862671
Energy: 1.5724427361973858
Energy: 1.523926831780321
Energy: 1.3418847302865007
Energy: 1.4320350748552417
Energy: 1.3418847302817354
Energy: 1.3365852320636646
Energy: 1.5259892877777528
Energy: 1.3954527127027483
Energy: 1.5259892877777528
Energy: 1.3238193071796902
Energy: 1.5036962167228194
Energy: 1.373964720990066
Energy: 1.5036962167216281
Energy: 1.517863880514621
Energy: 1.526479157022605
Energy: 1.4210703031622378
Energy: 1.526479157022605
Energy: 1.5708207670344227
Energy: 1.534364316385038
Energy: 1.3675918152561044
Energy: 1.534364316383847
Energy: 1.6959973735247496
Energy: 1.5115199882893493
Energy: 1.7978167913763485
Energy: 1.5115199882893493
Energy: 1.7454999691008546
Energy: 1.6348428226208302
Energy: 1.9047884852658579
Energy: 1.6348428226208302
Energy: 1.7784450656224848
Energy: 1.5333808843142471
Energy: 1.35378247048098
Energy: 1.5333808843154388
Energy: 1.4583950056701462
Energy: 1.5394098049863598
Energy: 1.3768747714483065
Energy: 1.539409804983977
Energy: 1.4926879632127525
Energy: 1.442012863980729
Energy: 1.5466544885939708
Energy: 1.4420128639795375
Energy: 1.3239482054880454
Energy: 1.5237385058313961
Energy: 1.384770131998867
Energy: 1.5237385058325872
Energy: 1.6320520675059393
Energy: 1.6311823041019693
Energy: 1.430660896521397
Energy: 1.6311823040995865
Energy: 1.48242994788555
Energy: 1.5495089103729573
Energy: 1.5948227042476624
Energy: 1.5495089103729573
Energy: 1.518667422692492
Energy: 1.4636122336314603
Energy: 1.833485435405687
Energy: 1.4636122336290778
Energy: 1.8535009484202225
Energy: 1.5800950349354432
Energy: 1.5437631208133409
Energy: 1.5800950349354432

minimum gb energy = 1.3238193071796902 eV
minimum distance =  2.27897081517122 Angstroms
sigma value = 1


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

Energy: 1.5858139815374355
Energy: 1.532133142731741
Energy: 1.9129170291682458
Energy: 1.5321331427300937
Energy: 1.6338454835893286
Energy: 1.5498435385182614
Energy: 1.5094640770294223
Energy: 1.5498435385182614
Energy: 1.5163921140988688
Energy: 1.5499398625455616
Energy: 1.6220819430062734
Energy: 1.5499398625455616
Energy: 1.5281985651952268
Energy: 1.442941783139976
Energy: 1.4989755826400633
Energy: 1.442941783139976
Energy: 1.313069026109656
Energy: 1.504023906556796
Energy: 1.354409700854971
Energy: 1.504023906556796
Energy: 1.6301609178998457
Energy: 1.5007255330023814
Energy: 1.3448870198648384
Energy: 1.5007255330023814
Energy: 1.4676190161428389
Energy: 1.4868184190773683
Energy: 1.4795424295540318
Energy: 1.4868184190773683
Energy: 1.4781094677068716
Energy: 1.638974632475369
Energy: 1.6806394429285294
Energy: 1.638974632475369
Energy: 1.6409067027779778
Energy: 1.4710439477544393
Energy: 1.3368175235707513
Energy: 1.4710439477544393
Energy: 1.6409067027779778
Energy: 1.463193767779149
Energy: 1.3367760810796172
Energy: 1.463193767779149
Energy: 1.465514304481492
Energy: 1.5136263829615755
Energy: 1.6806394429285294
Energy: 1.5136263829615755
Energy: 1.47775631213232
Energy: 1.6150894030984555
Energy: 1.4795424295523845
Energy: 1.6150894030984555
Energy: 1.5583531620789088
Energy: 1.4522512905333402
Energy: 1.3492450809655538
Energy: 1.452251290531693
Energy: 1.3058573587692255
Energy: 1.4886197135902848
Energy: 1.3522613721265535
Energy: 1.4886197135902848
Energy: 1.7305350538079125
Energy: 1.4640038648474352
Energy: 1.5576444080899352
Energy: 1.4640038648474352
Energy: 1.5163921140988688
Energy: 1.5238986393214973
Energy: 1.6219546956700601
Energy: 1.5238986393214973
Energy: 1.5574053360152402
Energy: 1.5570206780097284
Energy: 1.499566153115834
Energy: 1.5570206780097284
Energy: 1.5858139815390828
Energy: 1.5321331427333882
Energy: 1.9129170291665984
Energy: 1.532133142731741
Energy: 1.6338454835893286
Energy: 1.5498435385182614
Energy: 1.5094640770294223
Energy: 1.5498435385182614
Energy: 1.5163921140988688
Energy: 1.5499398625455616
Energy: 1.6220819430062734
Energy: 1.5499398625455616
Energy: 1.5281985651952268
Energy: 1.4429417831416231
Energy: 1.498975582636769
Energy: 1.442941783139976
Energy: 1.313069026109656
Energy: 1.504023906556796
Energy: 1.354409700854971
Energy: 1.504023906556796
Energy: 1.6301609179031402
Energy: 1.5007255330023814
Energy: 1.3448870198648384
Energy: 1.5007255330023814
Energy: 1.467619016141192
Energy: 1.4868184190773683
Energy: 1.4795424295523845
Energy: 1.4868184190773683

minimum gb energy = 1.3058573587692255 eV
minimum distance =  2.25775448949241 Angstroms
sigma value = 17


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

Energy: 1.7116853948087984
Energy: 1.5041714445308574
Energy: 1.8713457105900637
Energy: 1.5041714445308574
Energy: 1.726473471072593
Energy: 1.5777656962855655
Energy: 1.5574545308084617
Energy: 1.5777656962865838
Energy: 1.4589521140558321
Energy: 1.5036459840095906
Energy: 1.4396810990228441
Energy: 1.5036459840095906
Energy: 1.3861277415563569
Energy: 1.4310750017916773
Energy: 1.5702471597769565
Energy: 1.4310750017784881
Energy: 1.4044876550596517
Energy: 1.486121444887458
Energy: 1.3062563801176301
Energy: 1.486121444888476
Energy: 1.4135889959601697
Energy: 1.508780080690504
Energy: 1.3486869552511973
Energy: 1.5087800806884677
Energy: 1.381231802494891
Energy: 1.499922508673879
Energy: 1.3535109865982629
Energy: 1.499922508673879
Energy: 1.3137351330110698
Energy: 1.5214130047707703
Energy: 1.4618294884841425
Energy: 1.5214130047697523
Energy: 1.607966342295167
Energy: 1.6067589008639105
Energy: 1.62312425713176
Energy: 1.6067589008618743
Energy: 1.6316968817097683
Energy: 1.58527727763028
Energy: 1.6193164459976057
Energy: 1.5852772776312978
Energy: 1.3922499195384004
Energy: 1.5712735078995763
Energy: 1.7043281084397626
Energy: 1.5712735078995763
Energy: 1.4345476532126036
Energy: 1.5449936720776802
Energy: 1.5362994445393994
Energy: 1.5449936720776802
Energy: 1.4280403379848394
Energy: 1.4903813371370174
Energy: 1.327535466272446
Energy: 1.4903813371370174
Energy: 1.3646412296659294
Energy: 1.5083596710435887
Energy: 1.3113584318601372
Energy: 1.5083596710415528
Energy: 1.3699316717353953
Energy: 1.4880991097272918
Energy: 1.4723089533510538
Energy: 1.4880991097272918
Energy: 1.3723902731122442
Energy: 1.4969961894317518
Energy: 1.3774621069646509
Energy: 1.49699618943277
Energy: 1.6347177432947448
Energy: 1.4259388051189907
Energy: 1.4541032652630217
Energy: 1.4259388051169548
Energy: 1.4835199593848638
Energy: 1.5386006292256513
Energy: 1.5548804185206586
Energy: 1.5386006292256513
Energy: 1.5837776070475587
Energy: 1.5959427933675223
Energy: 1.6352680654683713
Energy: 1.595942793366504
Energy: 1.7669801326599006
Energy: 1.59826608216606
Energy: 1.474726899384888
Energy: 1.59826608216606
Energy: 1.3954170449836827
Energy: 1.610565582815438
Energy: 1.710981985649988
Energy: 1.6105655828184922
Energy: 1.4005264713586105
Energy: 1.4802813831657256
Energy: 1.401464639878249
Energy: 1.4802813831626713
Energy: 1.565519318741394
Energy: 1.547904737210853
Energy: 1.4454724344209868
Energy: 1.5479047372118708
Energy: 1.3334203242004805
Energy: 1.4823901363904053
Energy: 1.3510490511691118
Energy: 1.4823901363934597
Energy: 1.3449665273470672
Energy: 1.5482249168768836
Energy: 1.5285677690766302
Energy: 1.5482249168779019
Energy: 1.366939378106747
Energy: 1.5132052878114577
Energy: 1.3794603806654013
Energy: 1.5132052878114577
Energy: 1.7638140704770005
Energy: 1.5019469811040556
Energy: 1.4065924386281887
Energy: 1.501946981103038
Energy: 1.6007366143123842
Energy: 1.5850686706776693
Energy: 1.8533980596053055
Energy: 1.5850686706756334
Energy: 1.609154522354871
Energy: 1.5307424427584966
Energy: 1.7503474914709327
Energy: 1.5307424427564604
Energy: 1.595321547232169
Energy: 1.512988820478406
Energy: 1.3792481329697228
Energy: 1.5129888204773878
Energy: 1.3587088643596525
Energy: 1.496851294157008
Energy: 1.454163134024688
Energy: 1.496851294157008
Energy: 1.3433001604779362
Energy: 1.489667790133134
Energy: 1.49963369285452
Energy: 1.4896677901341522
Energy: 1.3753191306177817
Energy: 1.4711062692582997
Energy: 1.3657260271352034
Energy: 1.4711062692593175
Energy: 1.5372017754466696
Energy: 1.4865779105125294
Energy: 1.3884242508718339
Energy: 1.4865779105115111
Energy: 1.3962310837737604
Energy: 1.4960502704591216
Energy: 1.4596803615965128
Energy: 1.4960502704611578
Energy: 1.5716685319538326
Energy: 1.452288030284818
Energy: 1.6481324396154684
Energy: 1.4522880302878725
Energy: 1.8447043734884778
Energy: 1.5999241603947416
Energy: 1.50127581588864
Energy: 1.5999241603937238
Energy: 1.5667413029768615
Energy: 1.4862452126526555
Energy: 1.6987259237086485
Energy: 1.4862452126546921

minimum gb energy = 1.3062563801176301 eV
minimum distance =  2.28069444540864 Angstroms
sigma value = 89


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

Energy: 1.5898554028774445
Energy: 1.4538613194005212
Energy: 1.6242468709314726
Energy: 1.4538613194000063
Energy: 1.4392252391014992
Energy: 1.515274697662142
Energy: 1.3940244804405957
Energy: 1.515274697662142
Energy: 1.3885557903453118
Energy: 1.3903156970311905
Energy: 1.2774328827073347
Energy: 1.3903156970303732
Energy: 1.2631291583031727
Energy: 1.4229827645341964
Energy: 1.4760727351606047
Energy: 1.4229827645355282
Energy: 1.3284095007301482
Energy: 1.4273015473596855
Energy: 1.4122256797676616
Energy: 1.427301547359958
Energy: 1.2815372792802462
Energy: 1.6566242895895629
Energy: 1.4113213569316025
Energy: 1.6566242895895629
Energy: 1.2232709656070961
Energy: 1.4446418885540868
Energy: 1.396879525891596
Energy: 1.4446418885535417
Energy: 1.2592631371685576
Energy: 1.4117268393611313
Energy: 1.6346744839981773
Energy: 1.411726839361646
Energy: 1.3871449092220365
Energy: 1.4464851889707613
Energy: 1.333821824043667
Energy: 1.446485188970489
Energy: 1.5705010687295433
Energy: 1.456792942172732
Energy: 1.2320106646760796
Energy: 1.4567929421730044
Energy: 1.454920355839741
Energy: 1.4467412885074893
Energy: 1.6248262286256778
Energy: 1.4467412885069744
Energy: 1.4102850046601143
Energy: 1.4360588494988455
Energy: 1.6247145596978698
Energy: 1.4360588494991182
Energy: 1.389351455323085
Energy: 1.4573878768383577
Energy: 1.3500775805206804
Energy: 1.4573878768383577
Energy: 1.3891397109248707
Energy: 1.4629253576665175
Energy: 1.2318524456446274
Energy: 1.4629253576662455
Energy: 1.223875859391542
Energy: 1.4115957829749293
Energy: 1.3564208059553835
Energy: 1.4115957829749293

minimum gb energy = 1.2232709656070961 eV
minimum distance =  2.29600065519727 Angstroms
sigma value = 13


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

Energy: 1.3817920263946104
Energy: 1.4067294688781669
Energy: 1.588435577655587
Energy: 1.4067294688781669
Energy: 1.4194968397670717
Energy: 1.3928454794925373
Energy: 1.3059136138679877
Energy: 1.3928454794925373
Energy: 1.2860805115463925
Energy: 1.3655971643424516
Energy: 1.417255306826438
Energy: 1.365597164343568
Energy: 1.242209693276832
Energy: 1.2992127488320493
Energy: 1.3282136036030994
Energy: 1.2992127488331657
Energy: 1.3404177499713559
Energy: 1.3164944273582682
Energy: 1.397678780955283
Energy: 1.3164944273593848
Energy: 1.355866149101461
Energy: 1.3957737643573407
Energy: 1.2595271544806113
Energy: 1.3957737643573407
Energy: 1.2227950330194615
Energy: 1.3507778090232385
Energy: 1.2568846146354782
Energy: 1.3507778090243552
Energy: 1.2198806358485446
Energy: 1.2670900158364358
Energy: 1.4203648766683672
Energy: 1.2670900158342024
Energy: 1.3830506813549068
Energy: 1.3542200162388114
Energy: 1.375895583250267
Energy: 1.3542200162388114
Energy: 1.4170625970655026
Energy: 1.378052462908877
Energy: 1.246490881942192
Energy: 1.378052462908877
Energy: 1.278931978946843
Energy: 1.3684102030506053
Energy: 1.283706844884122
Energy: 1.368410203049489
Energy: 1.276982527569065
Energy: 1.3801949396113926
Energy: 1.713508614187055
Energy: 1.380194939610276
Energy: 1.2792115284050793
Energy: 1.4455614905322778
Energy: 1.3876836732078712
Energy: 1.4455614905322778
Energy: 1.4074142334729474
Energy: 1.3952251702178402
Energy: 1.5890902887486702
Energy: 1.3952251702144909
Energy: 1.2787359183279745
Energy: 1.368551600127866
Energy: 1.306212366819719
Energy: 1.3685516001289826
Energy: 1.2768226236571463
Energy: 1.358305797321732
Energy: 1.4678693577660844
Energy: 1.3583057973206154
Energy: 1.279681144813084
Energy: 1.386661124305619
Energy: 1.2788753903236731
Energy: 1.386661124305619
Energy: 1.384549537495234
Energy: 1.3796149163072708
Energy: 1.331605599985073
Energy: 1.3796149163083873
Energy: 1.2219882937641633
Energy: 1.4099499245884077
Energy: 1.2247194208149308
Energy: 1.4099499245884077
Energy: 1.2247939946223838
Energy: 1.409880814754078
Energy: 1.2254733092211993
Energy: 1.409880814754078
Energy: 1.3319569216604825
Energy: 1.3796268157130258
Energy: 1.384489119589949
Energy: 1.3796268157130258
Energy: 1.2790931650698347
Energy: 1.386714724196682
Energy: 1.279681144813084
Energy: 1.3867147241977984
Energy: 1.4678693577627346
Energy: 1.358656620064668
Energy: 1.2769339353700861
Energy: 1.358656620064668
Energy: 1.3062123668208356
Energy: 1.3687002136999478
Energy: 1.279242243600056
Energy: 1.368700213698831
Energy: 1.589198891657273
Energy: 1.436503627637654
Energy: 1.396626520328583
Energy: 1.436503627637654
Energy: 1.3874623043153929
Energy: 1.4509599961678112
Energy: 1.279211528403963
Energy: 1.4509599961678112
Energy: 1.7134826667202419
Energy: 1.380162944286653
Energy: 1.2771572440444914
Energy: 1.3801629442855365
Energy: 1.2837068448830053
Energy: 1.3683380201433422
Energy: 1.3347223798542822
Energy: 1.3683380201433422
Energy: 1.2462930192631405
Energy: 1.3784153471066374
Energy: 1.4171870097395962
Energy: 1.3784153471066374
Energy: 1.3753487602122068
Energy: 1.3552630138513928
Energy: 1.3828226408180713
Energy: 1.3552630138502764
Energy: 1.4203299275690093
Energy: 1.2670067682343378
Energy: 1.2196861711663909
Energy: 1.2670067682365709
Energy: 1.2567106875321559
Energy: 1.3521918699177518
Energy: 1.2175074642605836
Energy: 1.3521918699177518
Energy: 1.2290020530662535
Energy: 1.3960334017025877
Energy: 1.3559116585794322
Energy: 1.3960334017025877
Energy: 1.3976071746451406
Energy: 1.3163624481859295
Energy: 1.3404082016200907
Energy: 1.316362448187046
Energy: 1.3283263973047412
Energy: 1.2999298855174675
Energy: 1.2422176330958261
Energy: 1.2999298855174675

minimum gb energy = 1.2175074642605836 eV
minimum distance =  2.35787368248615 Angstroms
sigma value = 37


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

Energy: 1.3917327424005173
Energy: 1.3443506529682405
Energy: 1.5243654434202245
Energy: 1.3443506529682405
Energy: 1.4533151121201788
Energy: 1.2547823989361613
Energy: 1.2401055128655876
Energy: 1.2547823989373181
Energy: 1.4338866737920979
Energy: 1.3043068364760289
Energy: 1.3834848082826616
Energy: 1.3043068364760289
Energy: 1.2814061403715113
Energy: 1.3211108430955554
Energy: 1.2875916988996707
Energy: 1.3211108430949878
Energy: 1.2866480348267726
Energy: 1.2930977522857021
Energy: 1.2486190232918302
Energy: 1.2930977522860734
Energy: 1.2988377022890134
Energy: 1.327255450993345
Energy: 1.2690037836680277
Energy: 1.327255450993345
Energy: 1.3142010172288379
Energy: 1.3021558396896855
Energy: 1.299457299314727
Energy: 1.3021558396896855
Energy: 1.1890489077309692
Energy: 1.4480571642422608
Energy: 1.2559029496282403
Energy: 1.4480571642416933
Energy: 1.3120120102753818
Energy: 1.288724616519221
Energy: 1.2641495532048042
Energy: 1.2887246165198103
Energy: 1.3079766993980397
Energy: 1.3150046892146774
Energy: 1.185357960466958
Energy: 1.315004689214481
Energy: 1.3583742988874818
Energy: 1.3028291472720959
Energy: 1.3078175159355216
Energy: 1.3028291472720959
Energy: 1.2898700011743096
Energy: 1.3214457737534393
Energy: 1.3458179619697266
Energy: 1.3214457737536358
Energy: 1.4018099450968264
Energy: 1.271271747333001
Energy: 1.3799109091248296
Energy: 1.271271747333001
Energy: 1.4534469728094257
Energy: 1.3251509916194604
Energy: 1.3151538121522621
Energy: 1.3251509916194604
Energy: 1.3856707645731368
Energy: 1.3413147529238123
Energy: 1.2582452263406518
Energy: 1.3413147529240086
Energy: 1.3686024761475653
Energy: 1.254546228386085
Energy: 1.3344991201888017
Energy: 1.2545462283859103
Energy: 1.461266845634238
Energy: 1.2718050622740067
Energy: 1.3716382799760725
Energy: 1.2718050622736352
Energy: 1.2719438862579546
Energy: 1.3347310360492681
Energy: 1.2631174913528658
Energy: 1.3347310360496614
Energy: 1.3036276414764614
Energy: 1.3031166785778803
Energy: 1.2563890670298068
Energy: 1.3031166785784696
Energy: 1.2825715283521273
Energy: 1.3265951153402893
Energy: 1.3030975858487124
Energy: 1.3265951153402893

minimum gb energy = 1.185357960466958 eV
minimum distance =  2.29748140138296 Angstroms
sigma value = 25


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

Energy: 1.2941679194408788
Energy: 1.2147803270421391
Energy: 1.485456827837659
Energy: 1.2147803270421391
Energy: 1.3198609876454253
Energy: 1.1516294555998183
Energy: 1.2233367124530403
Energy: 1.1516294556013182
Energy: 1.2816403711579638
Energy: 1.1862310520604604
Energy: 1.268485064920495
Energy: 1.1862310520589605
Energy: 1.125514311313008
Energy: 1.237457345947402
Energy: 1.2914920774894827
Energy: 1.237457345947402
Energy: 1.1934824384840244
Energy: 1.174351802210263
Energy: 1.2876477308087833
Energy: 1.174351802210263
Energy: 1.1827131843928567
Energy: 1.4130707636303008
Energy: 1.1591805436667666
Energy: 1.4130707636318007
Energy: 1.1722816425667266
Energy: 1.1704820888264926
Energy: 1.1954048435246034
Energy: 1.1704820888264926
Energy: 1.142890191910614
Energy: 1.2382383385008116
Energy: 1.1480787771499597
Energy: 1.2382383385023117
Energy: 1.2749692356681335
Energy: 1.1726978067702636
Energy: 1.2479784923008508
Energy: 1.1726978067717635
Energy: 1.1324822235559087
Energy: 1.2915251812703221
Energy: 1.2349033329816137
Energy: 1.291525181271822
Energy: 1.2259012041866921
Energy: 1.17226974747501
Energy: 1.1918647952596952
Energy: 1.1722697474735098
Energy: 1.145502610561552
Energy: 1.1686987936542796
Energy: 1.1451383653104905
Energy: 1.1686987936542796
Energy: 1.2089951197079198
Energy: 1.1775626074737418
Energy: 1.2941344407601443
Energy: 1.1775626074737418
Energy: 1.19563678111816
Energy: 1.1941398299760253
Energy: 1.1750439603211331
Energy: 1.1941398299760253
Energy: 1.2926616595247862
Energy: 1.1507487157224605
Energy: 1.2371139916313196
Energy: 1.1507487157224605
Energy: 1.1281728492064815
Energy: 1.2167047574199719
Energy: 1.2054132008075682
Energy: 1.2167047574199719
Energy: 1.2791627075742504
Energy: 1.192372527105001
Energy: 1.3294476433998266
Energy: 1.192372527105001
Energy: 1.3072875796245302
Energy: 1.159081990336586
Energy: 1.238851577305644
Energy: 1.1590819903276202
Energy: 1.4122965759864043
Energy: 1.216273207015255
Energy: 1.3557739908137842
Energy: 1.216273207015255
Energy: 1.2820440522050922
Energy: 1.2942553240565233
Energy: 1.2041679058655048
Energy: 1.2942553240595234
Energy: 1.2784372574716802
Energy: 1.1875310399844234
Energy: 1.3292858365666953
Energy: 1.1875310399859234
Energy: 1.1650122557590452
Energy: 1.1846367845967325
Energy: 1.2256958609771624
Energy: 1.1846367845982329
Energy: 1.2934924975210573
Energy: 1.1497319965198054
Energy: 1.3654280379984378
Energy: 1.1497319965198054
Energy: 1.184491692527507
Energy: 1.2484573976550934
Energy: 1.154685975088724
Energy: 1.2484573976550934
Energy: 1.2215670793461
Energy: 1.1774951556844808
Energy: 1.2944247438968868
Energy: 1.1774951556844808
Energy: 1.143895718938887
Energy: 1.2385470268233958
Energy: 1.1646487830381516
Energy: 1.2385470268218957

minimum gb energy = 1.125514311313008 eV
minimum distance =  2.29411723645311 Angstroms
sigma value = 41


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

Energy: 1.2320497146330862
Energy: 1.1285618150775978
Energy: 1.311333873253846
Energy: 1.1285618150775978
Energy: 1.170287388773905
Energy: 1.153792328209785
Energy: 1.1641086938333896
Energy: 1.153792328209785
Energy: 1.1549894320162954
Energy: 1.0846646131897557
Energy: 1.1730912992314462
Energy: 1.0846646131909852
Energy: 1.114917990868813
Energy: 1.1735550818525728
Energy: 1.1410702260380956
Energy: 1.173555081841505
Energy: 1.1513089990702927
Energy: 1.0716018036930486
Energy: 1.1595877575620768
Energy: 1.0716018036930486
Energy: 1.097249993044157
Energy: 1.1497615915558637
Energy: 1.0465318701377604
Energy: 1.1497615915607826
Energy: 1.2081485175539566
Energy: 1.0621757664834295
Energy: 1.1133392227711214
Energy: 1.0621757664834295
Energy: 1.0686786123909382
Energy: 1.1793250508830568
Energy: 1.1221135004126543
Energy: 1.1793250508842867
Energy: 1.1121392885497159
Energy: 1.0625465402506928
Energy: 1.1294328670345108
Energy: 1.0625465402506928
Energy: 1.0529634382889217
Energy: 1.1046808916918467
Energy: 1.0525296359593883
Energy: 1.1046808916906168
Energy: 1.1840692513284472
Energy: 1.0618965782606504
Energy: 1.0898419684376224
Energy: 1.0618965782594207
Energy: 1.1324638106211196
Energy: 0.9747683849527612
Energy: 1.0816647901366778
Energy: 0.9747683849515314
Energy: 1.0990005629645916
Energy: 1.0701973593777545
Energy: 1.1696369818105656
Energy: 1.0701973593777545
Energy: 1.0500235541133305
Energy: 1.0980057846051259
Energy: 1.0515274042634835
Energy: 1.098005784603896
Energy: 1.2411304230063158
Energy: 1.0577770110316678
Energy: 1.0973311266769705
Energy: 1.057777011030438
Energy: 1.081293615648982
Energy: 1.0333412102775417
Energy: 1.1052966580409649
Energy: 1.0333412102898394
Energy: 1.1112941310463624
Energy: 1.0690809069216023
Energy: 1.2360323493182905
Energy: 1.0690809069216023
Energy: 1.0921466782575924
Energy: 1.1262868253219354
Energy: 1.0392928045583991
Energy: 1.1262868253219354
Energy: 1.2606021376089311
Energy: 1.083538907059425
Energy: 1.139549924804891
Energy: 1.083538907059425
Energy: 1.1271790551728393
Energy: 1.0426319502160089
Energy: 1.1860017513826828
Energy: 1.0426319502160089
Energy: 1.1609961696248128
Energy: 1.097075282421723
Energy: 1.2710945456011542
Energy: 1.097075282421723
Energy: 1.1725419749106578
Energy: 1.1927505699176912
Energy: 1.115967303869484
Energy: 1.192750569918921
Energy: 1.3757103988709423
Energy: 1.1245933732072846
Energy: 1.2190707477231129
Energy: 1.124593373206055
Energy: 1.2055743831829082
Energy: 1.1298751588499756
Energy: 1.1725052643475815
Energy: 1.1298751588524354
Energy: 1.1575686615497025
Energy: 1.0855691867228812
Energy: 1.2693089028437554
Energy: 1.0855691867241108
Energy: 1.0923661291854698
Energy: 1.088157014707258
Energy: 1.1162070589322703
Energy: 1.0881570147084876
Energy: 1.2582911103983458
Energy: 1.083360007685405
Energy: 1.219228116937052
Energy: 1.083360007685405
Energy: 1.1246624814742068
Energy: 1.0586738739032764
Energy: 1.0847341626859115
Energy: 1.0586738738860877
Energy: 1.2255879065004514
Energy: 1.058308353993825
Energy: 1.2387185810285724
Energy: 1.058308353993825
Energy: 1.0648586035334073
Energy: 1.185113777585331
Energy: 1.088369213496645
Energy: 1.185113777585331
Energy: 1.2409025163258283
Energy: 1.0551909361377256
Energy: 1.1083944989546646
Energy: 1.0551909361377256
Energy: 1.0683357634034425
Energy: 1.1599491650160454
Energy: 1.0460183150399274
Energy: 1.1599491650148157

minimum gb energy = 0.9747683849515314 eV
minimum distance =  2.29252835551235 Angstroms
sigma value = 15


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

Energy: 1.1096346775321841
Energy: 1.0333443649698955
Energy: 1.2274862246760663
Energy: 1.0333443649709373
Energy: 1.134349103931009
Energy: 1.195857077174038
Energy: 1.1009279038328637
Energy: 1.195857077174038
Energy: 1.1426432299932348
Energy: 1.0233106008636152
Energy: 1.1269986111405672
Energy: 1.0233106008625734
Energy: 1.1066520797508885
Energy: 1.0182851080300577
Energy: 1.0772848851386496
Energy: 1.018285108014431
Energy: 0.9651107288968179
Energy: 1.0067220106067671
Energy: 1.0431288683831064
Energy: 1.0067220106057253
Energy: 1.0546941132827148
Energy: 1.1836814905842548
Energy: 1.031024540725007
Energy: 1.183681490582171
Energy: 1.0985263814066177
Energy: 0.9905632632713073
Energy: 1.0771423481222449
Energy: 0.9905632632702654
Energy: 0.9798926678908625
Energy: 1.109733659115215
Energy: 1.0748692046481971
Energy: 1.109733659115215
Energy: 1.0731994669585623
Energy: 0.9757423254453859
Energy: 1.031830368486858
Energy: 0.9757423254568455
Energy: 1.0446947178709494
Energy: 1.2166340148038155
Energy: 0.9937059086529513
Energy: 1.2166340148048573
Energy: 1.0787174268079358
Energy: 0.9932222538225307
Energy: 1.044960841283663
Energy: 0.9932222538235724
Energy: 1.0580650695092926
Energy: 1.0218413016367414
Energy: 0.9738627133335193
Energy: 1.0218413016409083
Energy: 1.045279854715329
Energy: 0.9819789491041458
Energy: 1.0505696152208557
Energy: 0.9819789491020622
Energy: 1.0055711359806427
Energy: 0.9738881677133606
Energy: 1.054474530993928
Energy: 0.9738881677133606
Energy: 1.1416191104008284
Energy: 0.9816497552195581
Energy: 1.0225771685382332
Energy: 0.9816497552195581
Energy: 0.9870180107712345
Energy: 0.9635201391597067
Energy: 0.9751532797084879
Energy: 0.9635201391607484
Energy: 1.021128996057632
Energy: 0.9775364653882012
Energy: 1.0455570699809316
Energy: 0.9775364653871594
Energy: 1.0208570945493436
Energy: 0.9585326481618345
Energy: 1.009794604638491
Energy: 0.9585326481607928
Energy: 1.2108467411313468
Energy: 0.9872235405084161
Energy: 1.0101375307758615
Energy: 0.9872235405084161
Energy: 0.9805048446578799
Energy: 0.9418545730936492
Energy: 1.0102596541153717
Energy: 0.9418545730946909
Energy: 1.043300873702365
Energy: 0.9920009200247619
Energy: 1.0828593139088472
Energy: 0.9920009200247619
Energy: 1.079497448799284
Energy: 0.9631359505696031
Energy: 1.0456749509501064
Energy: 0.9631359505696031
Energy: 1.2084574403835897
Energy: 1.0002683929222704
Energy: 1.0446532293179775
Energy: 1.0002683929212286
Energy: 1.03175887072258
Energy: 0.9833938958344509
Energy: 1.0746091722344238
Energy: 0.9833938958354927
Energy: 1.060097696811702
Energy: 1.016302809974145
Energy: 1.0948607230091194
Energy: 1.0163028099751867
Energy: 1.0997315940154166
Energy: 1.0474320640170272
Energy: 1.1167612380421494
Energy: 1.0474320640139017
Energy: 1.3015520144705433
Energy: 1.0282809331847869
Energy: 1.1151034338006425
Energy: 1.0282809331858285
Energy: 1.139875345433979
Energy: 1.0404786358967424
Energy: 1.0722685994914476
Energy: 1.0404786358957008
Energy: 1.146574191166887
Energy: 1.0163657034021272
Energy: 1.0938930601604508
Energy: 1.0163657034042108
Energy: 1.0722670222417434
Energy: 1.0018190881505125
Energy: 1.067396640446544
Energy: 1.001819088153638
Energy: 1.2955618035039445
Energy: 0.9906789507357046
Energy: 1.0655276854748867
Energy: 0.9906789507357046
Energy: 1.060458834052208
Energy: 1.0094415023874033
Energy: 1.0189956349394738
Energy: 1.0094415023894865
Energy: 1.0848636457447565
Energy: 0.9923215031461688
Energy: 1.08118964007708
Energy: 0.9923215031461688
Energy: 1.00075589179301
Energy: 1.052609075867363
Energy: 1.0455785022946367
Energy: 1.0526090758497
Energy: 1.2086728037045946
Energy: 0.9871680839244251
Energy: 0.9419307975316749
Energy: 0.9871680839233834
Energy: 1.0463227141224434
Energy: 1.064297051601129
Energy: 0.9858906599737237
Energy: 1.0642970516000871
Energy: 1.0794894967299928
Energy: 0.9679989784878189
Energy: 1.0453113159338385
Energy: 0.9679989784878189

minimum gb energy = 0.9418545730936492 eV
minimum distance =  2.32777264878978 Angstroms
sigma value = 85


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

Energy: 1.2575108182034138
Energy: 0.9925367049671596
Energy: 1.1280883880700285
Energy: 0.9925367049680631
Energy: 0.993482559899422
Energy: 1.1283620522015994
Energy: 1.0256457399658276
Energy: 1.1283620522015994
Energy: 1.0498817547705603
Energy: 0.9931348006173686
Energy: 1.1774345789523664
Energy: 0.9931348006173686
Energy: 0.999381495820098
Energy: 1.1407784111611246
Energy: 1.0270576985018591
Energy: 1.1407784111611246
Energy: 1.1348432712207326
Energy: 0.9383491188098441
Energy: 0.9505243101779658
Energy: 0.9383491188107476
Energy: 0.9354856221802275
Energy: 1.055780315475767
Energy: 0.9708896842651037
Energy: 1.0557803154766705
Energy: 0.959503622734125
Energy: 0.9372395667522694
Energy: 1.0544004933649145
Energy: 0.9372395667531525
Energy: 0.9196209833353975
Energy: 1.1448977502184698
Energy: 1.0098840928061932
Energy: 1.1448977502184698
Energy: 1.0555457667218804
Energy: 0.9116572214431545
Energy: 0.9519341921676787
Energy: 0.9116572214431545
Energy: 0.9923221764839646
Energy: 1.0471141177827636
Energy: 0.9126784429907244
Energy: 1.0471141177827636
Energy: 0.9260210515210672
Energy: 0.9114671059370966
Energy: 1.0001231715060928
Energy: 0.9114671059370966
Energy: 0.9212683408337451
Energy: 0.967892007441253
Energy: 0.9711438198805572
Energy: 0.9678920074421565
Energy: 0.9691815039089052
Energy: 0.9022003284655186
Energy: 0.9272660684407723
Energy: 0.9022003284664221
Energy: 0.9073719238303746
Energy: 0.939971724626794
Energy: 0.9920421047972262
Energy: 0.939971724626794
Energy: 0.9416380295170473
Energy: 0.9028179973363151
Energy: 0.9699681756847737
Energy: 0.9028179973363151
Energy: 1.0084845969999572
Energy: 0.8697308878792849
Energy: 0.9657685180453576
Energy: 0.8697308878801678
Energy: 0.9402100451192112
Energy: 0.9032291916016394
Energy: 0.9289931835504135
Energy: 0.9032291916016394
Energy: 0.9057238110134406
Energy: 0.8395363551356161
Energy: 0.9908573464031465
Energy: 0.8395363551573011
Energy: 0.9692152323339868
Energy: 0.8933825478780371
Energy: 0.9493205393931438
Energy: 0.8933825478780371
Energy: 0.9380056148149436
Energy: 0.8509013200385165
Energy: 0.9127568686929275
Energy: 0.8509013200385165
Energy: 0.9240153841466519
Energy: 0.912034538123143
Energy: 1.1442198634433274
Energy: 0.9120345381240464
Energy: 1.0236764166334924
Energy: 0.8489519766995333
Energy: 0.9114134064109344
Energy: 0.8489519766995333
Energy: 1.0372985621131585
Energy: 0.9030794976087719
Energy: 0.9458363068844152
Energy: 0.9030794976078684
Energy: 0.9672859862733518
Energy: 0.899127184285945
Energy: 0.9815049124505867
Energy: 0.8991271842868485
Energy: 0.9562994210487893
Energy: 0.9271938364606387
Energy: 1.2174127810749629
Energy: 0.9271938364597351
Energy: 1.0061271137952161
Energy: 0.884886447891453
Energy: 0.9715994042056435
Energy: 0.8848864478932601
Energy: 1.1339509883125518
Energy: 0.9269682360431205
Energy: 0.9514834074321364
Energy: 0.9269682360431205
Energy: 1.021459198944342
Energy: 0.8968257133529611
Energy: 0.9802793403190733
Energy: 0.8968257133520576
Energy: 0.963634953769246
Energy: 1.016604332191915
Energy: 1.0051861295817772
Energy: 1.016604332191915
Energy: 0.9934014430058008
Energy: 0.9262479498093479
Energy: 1.0256323650381434
Energy: 0.9262479498084444
Energy: 1.2520009927805629
Energy: 0.9924729043904823
Energy: 1.00908291290629
Energy: 0.9924729043904823
Energy: 1.052935439301597
Energy: 0.9394812631741265
Energy: 0.9742306076366919
Energy: 0.9394812631795477
Energy: 0.9360950325071706
Energy: 0.9937603274204589
Energy: 1.2781036887292103
Energy: 0.9937603274213626
Energy: 0.9741291165376721
Energy: 0.8931978085891135
Energy: 1.0260559952705308
Energy: 0.8931978085882099
Energy: 1.133755288903995
Energy: 0.9267116525169424
Energy: 0.9669868976152627
Energy: 0.9267116525178462
Energy: 1.0182883837402328
Energy: 0.8972366455026861
Energy: 0.9311641192887543
Energy: 0.8972366455035896
Energy: 0.852920358550192
Energy: 0.9274354891937454
Energy: 1.2184951693533126
Energy: 0.9274354891946489
Energy: 0.9149479919835714
Energy: 0.9400362034745222
Energy: 0.9680134588434385
Energy: 0.9400362034736187
Energy: 1.0373346835752977
Energy: 0.9028785823404498
Energy: 0.9111712866577072
Energy: 0.9028785823404498
Energy: 0.964924812073209
Energy: 0.9586052549281423
Energy: 0.9207818852263939
Energy: 0.9586052549290458
Energy: 0.892313936597611
Energy: 0.9125140428094529
Energy: 1.144076295195283
Energy: 0.9125140428094529
Energy: 0.9514524336971077
Energy: 0.9778161926428277
Energy: 0.9317242223137376
Energy: 0.9778161926437312
Energy: 0.969417941689871
Energy: 0.8946188097823945
Energy: 0.9181752026142748
Energy: 0.8946188097823945

minimum gb energy = 0.8395363551356161 eV
minimum distance =  2.32779926117357 Angstroms
sigma value = 113


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

Energy: 0.014322148861509551
Energy: 0.014415322164839664
Energy: 1.4444024904090038
Energy: 0.014415322164839664
Energy: 0.015275868281585205
Energy: 0.9251196311701797
Energy: 0.015275868281585205
Energy: 0.9251196311701797
Energy: 1.496213886552802
Energy: 0.014415322164839664
Energy: 0.014322148861509551
Energy: 0.014415322164839664
Energy: 0.015275868281585205
Energy: 0.9251196311708356
Energy: 0.015275868281585205
Energy: 0.9251196311701797
Energy: 0.014322148861509551
Energy: 0.01441532216414507
Energy: 1.4444024904090038
Energy: 0.014415322165495669
Energy: 0.015275868281585205
Energy: 0.9251196311701797
Energy: 0.015275868281585205
Energy: 0.9251196311701797

minimum gb energy = 0.014322148861509551 eV
minimum distance =  2.47599146811466 Angstroms
sigma value = 1