Model name: model_name=MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_001
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=2.863657340407371
cohesive_energy=4.290337440834252
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 2.4558483881278797e-19, 2.90855941783092e-19, 3.2776528490055e-19, 3.5962136291437197e-19, 4.79688479866332e-19, 5.086766617052939e-19, 5.34122431006482e-19, 5.56616990947842e-19, 5.765528748047039e-19, 5.94229689607626e-19, 6.09886159675074e-19, 6.23712944026494e-19, 6.35868658148652e-19, 6.4648628270216995e-19, 6.55679572228062e-19, 6.63543055147734e-19, 6.70161646822788e-19, 6.756106495550219e-19, 6.799525482331619e-19, 6.83246623392666e-19, 6.85544144685822e-19, 6.8689317741165e-19, 6.87333775986e-19, 6.868579295257019e-19, 6.85311829073892e-19, 6.82496804727954e-19, 6.78172529992788e-19, 6.7204901089764e-19, 6.63780177289566e-19, 6.52939850183922e-19, 6.39015333057828e-19, 6.213721639642199e-19, 5.992284807057059e-19, 5.716085577121799e-19, 5.37293138565168e-19, 4.94750542402566e-19, 4.4202451155426e-19, 3.7653714381614393e-19, 2.95007181441786e-19, 1.9309593010631396e-19, 6.49823616630792e-20, -9.72234427220514e-20, -3.0442157134317e-19, -5.71948219158588e-19, -9.21913263499842e-19, -1.3869658598145839e-18, -2.01685199041188e-18, -2.8901183647735795e-18, -4.13624328539976e-18, -5.9802043952366996e-18, -8.83983333866526e-18, -1.3560662812512598e-17, -2.2064695950457802e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013185072277916996
Energy: 0.0135477981812795
Energy: 2.2460553857749472
Energy: 0.013547798182251254
Energy: 0.0135477981812795
Energy: 0.22661624978609482
Energy: 1.2542113094054184
Energy: 0.22661624978512304
Energy: 2.246055497750281
Energy: 1.2542113094083616
Energy: 1.588894323224031
Energy: 1.254211309417135
Energy: 0.013547798182251254
Energy: 0.22661624978609482
Energy: 1.25421130940639
Energy: 0.22661624978512304

minimum gb energy = 0.013185072277916996 eV
minimum distance =  2.43745444197011 Angstroms
sigma value = 1


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

Energy: 2.296235061232054
Energy: 1.0928116059502486
Energy: 1.883979812394962
Energy: 1.0927928424660551
Energy: 1.99373944783954
Energy: 0.9795171994482038
Energy: 1.0029242614576188
Energy: 0.979517199417954
Energy: 1.9989601085250237
Energy: 0.9278193461172347
Energy: 0.9170744356364111
Energy: 0.9278193461184469
Energy: 2.089532727907293
Energy: 1.0502413656542688
Energy: 1.0048141067773866
Energy: 1.0502413656215395
Energy: 2.090169016738842
Energy: 0.9318774783136411
Energy: 1.453805797748033
Energy: 0.9318774690068415
Energy: 1.9856779398751265
Energy: 1.0937914638829433
Energy: 1.3030022169074578
Energy: 1.0937914638877921
Energy: 2.1086286643181005
Energy: 0.9493839423825078
Energy: 1.2207373588559336
Energy: 0.949386017530737
Energy: 1.6418322576510096
Energy: 1.1719241169917034
Energy: 1.2575072069266435
Energy: 1.1719241169904913
Energy: 1.5632946411193827
Energy: 1.3019213747743872
Energy: 1.7600917317559788
Energy: 1.301921374754992
Energy: 1.6277418268844774
Energy: 1.1538543054943313
Energy: 1.6418886930841825
Energy: 1.1538543054955432
Energy: 1.6836620195370946
Energy: 1.1939498609156614
Energy: 1.519663112255117
Energy: 1.1939498609168735
Energy: 1.247828764831849
Energy: 1.1693706897371705
Energy: 1.6244607257598729
Energy: 1.1693706897371705
Energy: 1.2607188493551569
Energy: 1.1071444947257825
Energy: 1.632061102207904
Energy: 1.107144494787605
Energy: 1.256538792151777
Energy: 1.0902095778060146
Energy: 1.9846284907307772
Energy: 1.0902095778072267
Energy: 1.2224910706443075
Energy: 0.927143259719392
Energy: 1.7222428875488591
Energy: 0.9271431949474132
Energy: 1.0214369917705586
Energy: 1.0826486990993944
Energy: 1.9683308738281136
Energy: 1.0826486990969701
Energy: 0.9160973942932178
Energy: 0.9232918024723736
Energy: 1.9842577614143462
Energy: 0.9232918024711613
Energy: 1.0372831692464584
Energy: 0.9479620303030708
Energy: 2.0156504792978676
Energy: 0.9479638660141886
Energy: 0.9163448287985139
Energy: 0.9288532886418139
Energy: 1.8482031636507774
Energy: 0.9288532257673184
Energy: 1.13229837147974
Energy: 1.0145447547914788
Energy: 1.985089131891885
Energy: 1.014531615743108
Energy: 1.0251105188469376
Energy: 1.0060383707528853
Energy: 2.0217575993411145
Energy: 1.0060383707480367
Energy: 1.0620292921202816
Energy: 1.0100148430468625
Energy: 1.8541138064251592
Energy: 1.010014843091714
Energy: 1.1983567564048747
Energy: 1.1018547226091544
Energy: 1.671962577409738
Energy: 1.1018547237105512
Energy: 1.4486214665757728
Energy: 1.1627700468988469
Energy: 1.8550207403068915
Energy: 1.1627700468988469
Energy: 1.4149961633895523
Energy: 1.191621743995092
Energy: 1.8625796937675851
Energy: 1.191621743995092
Energy: 1.4352618649734028
Energy: 1.1844398530246132
Energy: 1.4318199499548228
Energy: 1.184439853025825
Energy: 1.4541511210283968
Energy: 1.3580154146273862
Energy: 1.564275894118717
Energy: 1.3580154146273862
Energy: 1.8542119949419087
Energy: 1.008782042362551
Energy: 1.4462057696003903
Energy: 1.0087820425806375
Energy: 1.7441057016820745
Energy: 1.020357126565357
Energy: 1.422296703500141
Energy: 1.0203571264163112
Energy: 1.727347741463217
Energy: 1.1211107051934246
Energy: 1.0785993621592944
Energy: 1.1211107051934246
Energy: 1.9321559743695205
Energy: 1.0544840075883823
Energy: 1.0560556238934926
Energy: 1.0544840075895947
Energy: 1.9862773239315055
Energy: 0.9373868056806312
Energy: 1.1254490309923877
Energy: 0.9373868056842677
Energy: 1.9683380593865867
Energy: 0.933327489537357
Energy: 1.0915164929955377
Energy: 0.9339647864216326

minimum gb energy = 0.9160973942932178 eV
minimum distance =  2.33357143184746 Angstroms
sigma value = 1


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

Energy: 2.694034249460169
Energy: 1.2263141125444803
Energy: 1.8654938056924275
Energy: 1.2263141124988701
Energy: 1.8664783700440633
Energy: 0.9673581317344808
Energy: 1.0781906931817344
Energy: 0.9673581666051912
Energy: 1.8931869151941694
Energy: 0.9641397175532666
Energy: 0.9494874454459854
Energy: 0.9641397175546488
Energy: 1.8932282597421561
Energy: 1.1373986687478626
Energy: 1.089138487517275
Energy: 1.1373986687478626
Energy: 2.107758029023521
Energy: 0.9817530691889615
Energy: 1.1868173267770834
Energy: 0.9817530691848152
Energy: 1.8945107618059043
Energy: 1.019897540690531
Energy: 1.30080687299012
Energy: 1.0198975406891801
Energy: 1.7031856984046356
Energy: 0.9627841418230622
Energy: 1.184440010602769
Energy: 0.9627841418244444
Energy: 1.6430317184002166
Energy: 1.1201741737474376
Energy: 1.2571998197377297
Energy: 1.1201741731616683
Energy: 1.6325564424926415
Energy: 1.1158462641553515
Energy: 1.466602840371563
Energy: 1.1158462641581157
Energy: 1.655560715051771
Energy: 1.1138297194046154
Energy: 1.6404086587022773
Energy: 1.1138297194032332
Energy: 1.651811293475667
Energy: 1.1675791337555097
Energy: 1.3877197313629757
Energy: 1.167579133850845
Energy: 1.2312182880132998
Energy: 1.1610961705235052
Energy: 1.4169058632185099
Energy: 1.1610961705235052
Energy: 1.336530915933229
Energy: 1.1112205390206904
Energy: 1.955484079254813
Energy: 1.1112205390220724
Energy: 1.2774455321036584
Energy: 1.0401900180841044
Energy: 1.894707076090591
Energy: 1.0401900180730472
Energy: 1.284430667440128
Energy: 0.9728441073703311
Energy: 1.8675286977780872
Energy: 0.9728441097561916
Energy: 0.9505114272224316
Energy: 1.1353370111456254
Energy: 1.8666196080382844
Energy: 1.135337011141479
Energy: 0.9496885912571532
Energy: 0.9656134377841621
Energy: 1.8924929987382981
Energy: 0.9656134377841621
Energy: 1.0696146316041464
Energy: 1.0088066129545477
Energy: 1.8932413611041068
Energy: 1.0088066130595577
Energy: 0.9502072861947674
Energy: 0.972672892285189
Energy: 1.7482707589877697
Energy: 0.9726728922920995
Energy: 1.3038069262590208
Energy: 1.1263233027999267
Energy: 1.8916634718410712
Energy: 1.1263233028068373
Energy: 1.183237734882468
Energy: 0.9615566802341354
Energy: 1.8932034346549977
Energy: 0.9615566802424281
Energy: 1.2000804409824348
Energy: 1.1681031721521529
Energy: 1.6389202781368946
Energy: 1.1681031721507704
Energy: 1.2497822322606802
Energy: 1.1143380953052031
Energy: 1.633064867025185
Energy: 1.1143380953065853
Energy: 1.6540130243081392
Energy: 1.1135585864964945
Energy: 1.641612995759279
Energy: 1.1135585864964945
Energy: 1.38763905716009
Energy: 1.1776255661966437
Energy: 1.65472219768034
Energy: 1.1776255661952615
Energy: 1.387278273145423
Energy: 1.1684491131966521
Energy: 1.2315229770723968
Energy: 1.168449113169041
Energy: 1.6840919519369304
Energy: 1.3278084936829708
Energy: 1.2931225399453963
Energy: 1.3278084936829708
Energy: 1.909350609701493
Energy: 0.9647015628127024
Energy: 1.2369025877360273
Energy: 0.964701562809938
Energy: 1.8677089095197061
Energy: 1.0408092876396913
Energy: 1.2753441491583772
Energy: 1.040809287627252

minimum gb energy = 0.9494874454459854 eV
minimum distance =  2.32502182604032 Angstroms
sigma value = 25


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

Energy: 2.4353658947934957
Energy: 2.3619106779930377
Energy: 2.341538793488271
Energy: 2.3619106781038623
Energy: 2.0429543174924687
Energy: 1.0884258825374593
Energy: 1.119507640770706
Energy: 1.088425882531033
Energy: 1.8035630679951493
Energy: 1.0230905077860963
Energy: 1.0157945454815436
Energy: 1.0230905077507493
Energy: 1.9223119061497258
Energy: 1.0399468822451148
Energy: 1.0163748447842418
Energy: 1.0399468822451148
Energy: 1.6481244660602188
Energy: 1.0257474397174984
Energy: 1.3952094826094206
Energy: 1.0257474424107438
Energy: 1.9232691217812705
Energy: 1.1992674065788624
Energy: 1.4410999453674613
Energy: 1.1992674065740423
Energy: 1.7970847588656773
Energy: 1.2557164076701364
Energy: 1.4180492097319493
Energy: 1.255716407676563
Energy: 1.4391662398219176
Energy: 1.2521399332753693
Energy: 1.4648844668053067
Energy: 1.2521399332769763
Energy: 1.4184175390558584
Energy: 1.1829123990438863
Energy: 1.4119900145810091
Energy: 1.1829123990326396
Energy: 1.4499340685447877
Energy: 1.0428874925315517
Energy: 1.8010964044966256
Energy: 1.0428875055254845
Energy: 1.3885752178331274
Energy: 1.0300548648495844
Energy: 1.773050687776703
Energy: 1.0300585483246507
Energy: 1.0408006917721775
Energy: 1.0703774267894566
Energy: 1.7724617207014735
Energy: 1.0703774206658623
Energy: 1.03352815297354
Energy: 1.0235079924596913
Energy: 1.8164947832500542
Energy: 1.0235079924596913
Energy: 1.1035399346156656
Energy: 1.0459171639344231
Energy: 1.8096383636959132
Energy: 1.0459138413601226
Energy: 1.036039559597729
Energy: 1.0508963828741895
Energy: 1.7195937742535097
Energy: 1.0508963772163153
Energy: 1.3000210876999454
Energy: 1.1508002883505513
Energy: 1.779730912429242
Energy: 1.1508002883666182
Energy: 1.2270258378465186
Energy: 1.0238119322360872
Energy: 1.8519574186708285
Energy: 1.023811932269791
Energy: 1.1655280265249501
Energy: 1.2118816079526153
Energy: 1.6539360803569967
Energy: 1.2118816079526153
Energy: 1.2196032150454255
Energy: 1.1853989098137925
Energy: 1.668081374277993
Energy: 1.1853989099824214
Energy: 1.6552472927064439
Energy: 1.2032736028176532
Energy: 1.6770410522293207
Energy: 1.2032736026184974
Energy: 1.5216751661626484
Energy: 1.2568095617121202
Energy: 1.6998312288941615
Energy: 1.2568095617121202
Energy: 1.5278549836440034
Energy: 1.1964985823884164
Energy: 1.2734684537619403
Energy: 1.1964985823884164
Energy: 1.6661555370944916
Energy: 1.1981403133949493
Energy: 1.2119557052191237
Energy: 1.1981403133981627
Energy: 1.8289159204112313
Energy: 1.0378579428141508
Energy: 1.2581240275083172
Energy: 1.0378579426053909
Energy: 1.7715661146986637
Energy: 1.0420120615854336
Energy: 1.165722930783127
Energy: 1.0420120622037161

minimum gb energy = 1.0157945454815436 eV
minimum distance =  2.3272776351698 Angstroms
sigma value = 9


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

Energy: 2.1361409414137955
Energy: 1.885507996417298
Energy: 1.8253980434926702
Energy: 1.88550799622916
Energy: 1.6463831311045594
Energy: 1.158935323575558
Energy: 1.1377828392730318
Energy: 1.158935323449864
Energy: 1.6918063756028783
Energy: 1.051313510980549
Energy: 1.0451485054381628
Energy: 1.0513135109799607
Energy: 1.9713552507159626
Energy: 1.2152906518743245
Energy: 1.226481346711845
Energy: 1.215290651873366
Energy: 1.611353864486478
Energy: 1.1549992257951678
Energy: 1.0474747932180297
Energy: 1.1549992257951678
Energy: 1.6721939715325742
Energy: 1.2235864881957133
Energy: 1.4335114873677464
Energy: 1.2235864881535685
Energy: 1.6777891393295497
Energy: 1.1955009509659797
Energy: 1.0293847090198616
Energy: 1.1955009510135044
Energy: 1.456960111494497
Energy: 1.1964705114516754
Energy: 1.4198383890821353
Energy: 1.1964705114495628
Energy: 1.3724474598165857
Energy: 1.0495726333907827
Energy: 1.743011793539267
Energy: 1.0495726333836823
Energy: 1.4444775634257823
Energy: 1.2945305397545666
Energy: 1.7125656910995872
Energy: 1.2945305397539784
Energy: 1.3749842041508917
Energy: 1.0530247740619199
Energy: 1.621113954694697
Energy: 1.0530247740534908
Energy: 1.1362041910141343
Energy: 1.1091203323612882
Energy: 1.6590934148805516
Energy: 1.1091203323605259
Energy: 1.100786010272584
Energy: 1.115230877672442
Energy: 1.676382423720875
Energy: 1.1152308776732043
Energy: 1.1244332806071007
Energy: 1.2248351911180884
Energy: 1.9894637029077802
Energy: 1.2248351911186546
Energy: 1.1343668252871537
Energy: 1.1539438890420617
Energy: 1.364524921906848
Energy: 1.1539438890412994
Energy: 1.489200985707326
Energy: 1.248018577564181
Energy: 1.9795753562066682
Energy: 1.2480185770450052
Energy: 1.029478637420718
Energy: 1.052375760888323
Energy: 1.678099918218076
Energy: 1.0523757608486612
Energy: 1.1501810771176808
Energy: 1.2596782058386564
Energy: 1.448292643984181
Energy: 1.2596782058376979
Energy: 1.426828694186385
Energy: 1.5362220637797184
Energy: 1.6295825091153464
Energy: 1.5362220637799147
Energy: 1.698400891810789
Energy: 1.0529432639301939
Energy: 1.4571273723742886
Energy: 1.0529432639420642
Energy: 1.6219400998929911
Energy: 1.1038514465361886
Energy: 1.3321635572472885
Energy: 1.1038514465361886

minimum gb energy = 1.0293847090198616 eV
minimum distance =  2.32567723747349 Angstroms
sigma value = 25


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

Energy: 1.9001157926604562
Energy: 2.097802313662691
Energy: 2.253765887642929
Energy: 2.0978023136629065
Energy: 1.4455012365525515
Energy: 1.2723541130914395
Energy: 1.267363028605721
Energy: 1.2723541134060727
Energy: 1.5173963811731495
Energy: 1.1584595993310876
Energy: 1.1939460867748997
Energy: 1.1584595993478952
Energy: 1.4971503896010467
Energy: 1.298651820282767
Energy: 1.2186297030384894
Energy: 1.2986518202512527
Energy: 1.4148275732997866
Energy: 1.2388439509946267
Energy: 1.459540047230728
Energy: 1.2388439509555431
Energy: 1.5399254503059556
Energy: 1.2578775984862798
Energy: 1.531186574188575
Energy: 1.257877598486522
Energy: 1.5311997151687975
Energy: 1.2406841817404668
Energy: 1.6199134450714026
Energy: 1.2406863445155716
Energy: 1.2690157305024374
Energy: 1.2831568861004348
Energy: 1.5183151414377565
Energy: 1.283156886099492
Energy: 1.1825026505876317
Energy: 1.1862836035508848
Energy: 1.5226610132162366
Energy: 1.1862836147286298
Energy: 1.2896757443227498
Energy: 1.26608800924095
Energy: 1.6274357417726875
Energy: 1.2660880092549294
Energy: 1.1838143007239397
Energy: 1.167772513568983
Energy: 1.5473578123981273
Energy: 1.1677396143083771
Energy: 1.4780088895187489
Energy: 1.2775881100358122
Energy: 1.5769524058887114
Energy: 1.277588110035354
Energy: 1.4112932634692061
Energy: 1.2720103995414862
Energy: 1.636547912023756
Energy: 1.272010399543614
Energy: 1.4024268959936896
Energy: 1.257081660179143
Energy: 1.4990803229181444
Energy: 1.257081660178658
Energy: 1.4080266739376952
Energy: 1.227584168073496
Energy: 1.4188588351418578
Energy: 1.227584168073038
Energy: 1.6469187648842554
Energy: 1.2626606461823753
Energy: 1.5007109949887325
Energy: 1.2626606461774192
Energy: 1.4450605700304797
Energy: 1.3756518573158951
Energy: 1.5270106527300884
Energy: 1.375651857310454

minimum gb energy = 1.1584595993310876 eV
minimum distance =  2.3165823040869 Angstroms
sigma value = 17


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

Energy: 2.604445460637349
Energy: 1.2766965010469853
Energy: 2.0861851530809274
Energy: 1.2766962427089183
Energy: 1.6879136351008954
Energy: 1.3890007405282663
Energy: 1.3531115820364767
Energy: 1.3890007407993166
Energy: 1.4500707312123002
Energy: 1.318721907487937
Energy: 1.3433587695741196
Energy: 1.3187219074892795
Energy: 1.447999832867063
Energy: 1.3305892468002123
Energy: 1.30660699883762
Energy: 1.3305892468002123
Energy: 1.4468772759656632
Energy: 1.3679077044788648
Energy: 1.4527799089486482
Energy: 1.3679077044788648
Energy: 1.4606926980577215
Energy: 1.30450522942666
Energy: 1.5719934779350597
Energy: 1.3045052294253172
Energy: 1.5312744280745667
Energy: 1.3615604616513517
Energy: 1.443666795411311
Energy: 1.3615604616339
Energy: 1.2572089790859926
Energy: 1.3522344322415112
Energy: 1.5618625722893782
Energy: 1.3522344322146627
Energy: 1.2456978454322096
Energy: 1.2816602521948146
Energy: 1.4517452484964735
Energy: 1.2816602521961573
Energy: 1.2238680048360546
Energy: 1.320109251721765
Energy: 1.5280511946774582
Energy: 1.3201092517231072
Energy: 1.2851762987704438
Energy: 1.2860935381210128
Energy: 1.4884865338085902
Energy: 1.2860935311890616
Energy: 1.431084851331536
Energy: 1.3564524368815365
Energy: 1.5017654410653976
Energy: 1.3564524368815365
Energy: 1.4336669426251158
Energy: 1.2959494927545774
Energy: 1.4311977864793102
Energy: 1.2959495022199226
Energy: 1.5034737517177876
Energy: 1.3895234912506167
Energy: 1.336601186819228
Energy: 1.3895234912519592
Energy: 1.5066529943202427
Energy: 1.2603609058222842
Energy: 1.2355416420526983
Energy: 1.2603609058236265
Energy: 1.4738898322942322
Energy: 1.276513475595641
Energy: 1.2540677418925572
Energy: 1.2765134755969836
Energy: 1.5054266508377632
Energy: 1.2874623056276835
Energy: 1.3675975758130685
Energy: 1.287462305705484
Energy: 1.4990818104301369
Energy: 1.3120294181153966
Energy: 1.505331603084732
Energy: 1.3120294181153966
Energy: 1.4596733352608287
Energy: 1.3202853992408106
Energy: 1.4532546193438787
Energy: 1.320285399242153
Energy: 1.3367776766044766
Energy: 1.68535966741332
Energy: 1.5189045166289714
Energy: 1.68535966741332
Energy: 1.2766429004868078
Energy: 1.3138802481462728
Energy: 1.4530756797032502
Energy: 1.313880248147615
Energy: 1.311957585009832
Energy: 1.3102284971851503
Energy: 1.5309790251214683
Energy: 1.310228497186493
Energy: 1.3534562631575835
Energy: 1.353463223467472
Energy: 1.5748507795075772
Energy: 1.353463223525166
Energy: 1.438253044457976
Energy: 1.2819254750635753
Energy: 1.5045642385558275
Energy: 1.2819254864155334
Energy: 1.4561269283177047
Energy: 1.3040043862783866
Energy: 1.5383898201913435
Energy: 1.3040043862837563
Energy: 1.411855905075765
Energy: 1.292435475003279
Energy: 1.475450659778891
Energy: 1.2924354750019365
Energy: 1.4638053965048718
Energy: 1.3029358135675642
Energy: 1.485248283100298
Energy: 1.3029358135689064
Energy: 1.4826533534192867
Energy: 1.3340823511479116
Energy: 1.383953535906443
Energy: 1.3340823511465694
Energy: 1.5413442636818449
Energy: 1.3500496024632247
Energy: 1.4794805633502468
Energy: 1.3500496024726216
Energy: 1.559630427934004
Energy: 1.3017741427757186
Energy: 1.513063572991258
Energy: 1.301774143301741

minimum gb energy = 1.2238680048360546 eV
minimum distance =  2.2797447285716 Angstroms
sigma value = 53


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

Energy: 1.1890354492360584
Energy: 1.206238885908849
Energy: 1.7876213588931251
Energy: 1.2062388859073037
Energy: 1.3625072229287243
Energy: 1.221778127280946
Energy: 1.2657566646592473
Energy: 1.2217781272803139
Energy: 1.3926106790232142
Energy: 1.2107181610907518
Energy: 1.3631322686392466
Energy: 1.2107181610907518
Energy: 1.6294478360506661
Energy: 1.2815593749032497
Energy: 1.3355041037494746
Energy: 1.2815593749035659
Energy: 1.6979326441355882
Energy: 1.2507361630900213
Energy: 1.3564222313498706
Energy: 1.2507361630603453
Energy: 1.6292340557010365
Energy: 1.222361884890003
Energy: 1.3387157083051622
Energy: 1.2223618848918647
Energy: 1.386470279518938
Energy: 1.2375311784658989
Energy: 1.1923296546170192
Energy: 1.2375311784692704
Energy: 1.3529749721524487
Energy: 1.226900637341881
Energy: 1.3275510884895774
Energy: 1.226900637341565
Energy: 1.3446526047780638
Energy: 1.2286707339215932
Energy: 1.3851608914461617
Energy: 1.2286707339219094
Energy: 1.3794924453248971
Energy: 1.2153438125948093
Energy: 1.6290809687321068
Energy: 1.2153438125948093
Energy: 1.3502716345697239
Energy: 1.219424095001911
Energy: 1.9261385075842357
Energy: 1.2194240949574144
Energy: 1.3364020129974508
Energy: 1.281157287491713
Energy: 1.6292512748098416
Energy: 1.28115728749231
Energy: 1.3474493840139252
Energy: 1.223563739500756
Energy: 1.3910936857454936
Energy: 1.223563739490852

minimum gb energy = 1.1890354492360584 eV
minimum distance =  2.30792900208175 Angstroms
sigma value = 9


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

Energy: 2.260892420491626
Energy: 1.4897789657857516
Energy: 1.874595235542715
Energy: 1.48977896517405
Energy: 1.7639882465870673
Energy: 1.4423142101520006
Energy: 1.467106487494892
Energy: 1.442314210155432
Energy: 1.59901192138664
Energy: 1.3563076929641786
Energy: 1.4720166257312426
Energy: 1.356307692961891
Energy: 1.4824072311038334
Energy: 1.3594264976090547
Energy: 1.4430601677812345
Energy: 1.359426497607911
Energy: 1.4387198753078319
Energy: 1.3835449427932682
Energy: 1.5425524107834305
Energy: 1.3835449427921245
Energy: 1.466319894448457
Energy: 1.4133538142441457
Energy: 1.8088438272385117
Energy: 1.4133538142452895
Energy: 1.4667586243820623
Energy: 1.4881955034490315
Energy: 1.8430221234294837
Energy: 1.4881955034478875
Energy: 1.6759398289730796
Energy: 1.4873605747231624
Energy: 1.8386000328640992
Energy: 1.4873609452050842
Energy: 1.613231008572919
Energy: 1.361959022259159
Energy: 1.5357884225021043
Energy: 1.361959022259159
Energy: 1.548348385251703
Energy: 1.3764516821603654
Energy: 1.4449637704500944
Energy: 1.3764516823421862
Energy: 1.617089469136229
Energy: 1.374816967174742
Energy: 1.3019961416905423
Energy: 1.3748169671758859
Energy: 1.6418013340885136
Energy: 1.3933630787799773
Energy: 1.434977268867588
Energy: 1.3933630787799773
Energy: 1.891969105786354
Energy: 1.3858400963174222
Energy: 1.3727533972423065
Energy: 1.3858400963219977
Energy: 1.845007018863186
Energy: 1.3987832031606682
Energy: 1.606933299437205
Energy: 1.3987832031675311
Energy: 1.5469251936798665
Energy: 1.4211826303133317
Energy: 1.5988463315096664
Energy: 1.4211826303144754
Energy: 1.6035744976675554
Energy: 1.382441035466374
Energy: 1.6579060338903864
Energy: 1.382441035507553
Energy: 1.2909080599973142
Energy: 1.3607124659873346
Energy: 1.7388796227062573
Energy: 1.3607124659884786
Energy: 1.488490931831706
Energy: 1.3743661856968081
Energy: 1.6870123287591805
Energy: 1.3743661856956642
Energy: 1.3128352432331092
Energy: 1.3827580417716512
Energy: 1.7616183289908622
Energy: 1.3827580423547567
Energy: 1.5005816911062504
Energy: 1.4082205018216387
Energy: 1.8445603449184838
Energy: 1.4082204942481287
Energy: 1.5621128281331393
Energy: 1.4431400721168175
Energy: 1.6051867619195048
Energy: 1.4431400721168175
Energy: 1.9027843356278615
Energy: 1.412456936051319
Energy: 1.5536164321389252
Energy: 1.412456936050175
Energy: 1.845969082929715
Energy: 1.4089540950035868
Energy: 1.341134358956707
Energy: 1.4089540950035868
Energy: 1.716312525903493
Energy: 1.3912197189392248
Energy: 1.31380800382835
Energy: 1.3912197189426565
Energy: 1.7686031753577827
Energy: 1.3932055696731946
Energy: 1.2896431911118102
Energy: 1.393205569672051
Energy: 1.5974539098439255
Energy: 1.3917442563361233
Energy: 1.4588912302672503
Energy: 1.3917442563361233
Energy: 1.7925644434767218
Energy: 1.3737438901000474
Energy: 1.5807684685429477
Energy: 1.3737438901000474
Energy: 1.5891033153191327
Energy: 1.4257144512849254
Energy: 1.686403344753877
Energy: 1.4257144514370061
Energy: 1.4610190150243294
Energy: 1.445075156617216
Energy: 1.9310988883464641
Energy: 1.4450751569053635
Energy: 1.3652359368438491
Energy: 1.4283821273296309
Energy: 1.686821221869914
Energy: 1.4283821273307746
Energy: 1.3299545568717261
Energy: 1.385876883003585
Energy: 1.654029844860872
Energy: 1.385876883004729
Energy: 1.3560566681742336
Energy: 1.3650357119567171
Energy: 1.6704456313742717
Energy: 1.3650357119567171
Energy: 1.5788888895126656
Energy: 1.3867817565974945
Energy: 1.6800355382260155
Energy: 1.3867817565986384
Energy: 1.7315596934036714
Energy: 1.4172600669755595
Energy: 1.5775998841768555
Energy: 1.4172600669755595
Energy: 1.7836972011634376
Energy: 1.4863289533388975
Energy: 1.6093249218656387
Energy: 1.4863289527420658

minimum gb energy = 1.2896431911118102 eV
minimum distance =  2.33716647045138 Angstroms
sigma value = 73


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

Energy: 2.1496857457760035
Energy: 1.4300070697301885
Energy: 2.0356826108632076
Energy: 1.4300070697303742
Energy: 1.8171640086667398
Energy: 1.4031563453118319
Energy: 1.4750721814665775
Energy: 1.4031563453120175
Energy: 1.5892196479017415
Energy: 1.3502145744920688
Energy: 1.4691013114851719
Energy: 1.3502145744913467
Energy: 1.5325957439971944
Energy: 1.353488269054352
Energy: 1.4794241688671297
Energy: 1.3534882690539807
Energy: 1.454642098330572
Energy: 1.3908517931111066
Energy: 1.486063669400603
Energy: 1.390851793110921
Energy: 1.4594854205244858
Energy: 1.423544016684714
Energy: 1.6143387464247805
Energy: 1.4235440166854356
Energy: 1.4615764804864864
Energy: 1.4815321821763947
Energy: 2.0071113930331923
Energy: 1.4815321821845613
Energy: 1.626478151563967
Energy: 1.5049631172468836
Energy: 1.8486409481155999
Energy: 1.504963117247791
Energy: 1.6691229045749603
Energy: 1.3430303499678362
Energy: 1.6994128297477338
Energy: 1.3430303499647427
Energy: 1.604554632652241
Energy: 1.393996070075045
Energy: 1.3841236546581765
Energy: 1.3939960700748593
Energy: 1.6529582223199355
Energy: 1.2885839872020606
Energy: 1.2834577272021743
Energy: 1.288583987155432
Energy: 1.5688679724419978
Energy: 1.447159085519734
Energy: 1.3554350257820056
Energy: 1.447159085519734
Energy: 1.693229419161292
Energy: 1.3568115503862475
Energy: 1.3123239169396996
Energy: 1.3568115503858764
Energy: 1.6780208764686781
Energy: 1.3445243354724798
Energy: 1.656722971313097
Energy: 1.3445243354752021
Energy: 1.645146878611242
Energy: 1.3897433018974497
Energy: 1.6444213872352786
Energy: 1.389743301883117
Energy: 1.679172512927609
Energy: 1.37704203090625
Energy: 1.8679216956215332
Energy: 1.37704203090625
Energy: 1.313672537112735
Energy: 1.350894247030949
Energy: 1.8171901349799289
Energy: 1.3508940895387567
Energy: 1.4802627330342941
Energy: 1.4184035128307406
Energy: 1.742590842074266
Energy: 1.4184035128285752
Energy: 1.3235942231504396
Energy: 1.343990465623923
Energy: 1.6855319517820277
Energy: 1.3439904656233663
Energy: 1.3272764941061608
Energy: 1.4199132281326847
Energy: 1.7634106486569052
Energy: 1.4199132273274417
Energy: 1.7377350569901022
Energy: 1.3543405417241219
Energy: 1.660078011116809
Energy: 1.3543405417219565
Energy: 1.8002787433973961
Energy: 1.5183051019801121
Energy: 1.660772712997907
Energy: 1.5183051019795761

minimum gb energy = 1.2834577272021743 eV
minimum distance =  2.25725428043588 Angstroms
sigma value = 7


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

Energy: 2.8208667022700578
Energy: 1.6693747524845732
Energy: 1.8679060979916655
Energy: 1.6693747539750912
Energy: 1.7671389718141772
Energy: 1.4067175665814606
Energy: 1.4931566828269687
Energy: 1.4067175665788942
Energy: 1.5796422458587147
Energy: 1.3750229225437502
Energy: 1.4883954173488776
Energy: 1.3750229225437502
Energy: 1.5263644915022516
Energy: 1.3742290758903182
Energy: 1.4652779264491984
Energy: 1.3742290758903182
Energy: 1.5188875857286765
Energy: 1.3882520949844475
Energy: 1.4936823739811416
Energy: 1.3882520949857307
Energy: 1.4791752316092526
Energy: 1.4351061543098511
Energy: 1.7323988771145313
Energy: 1.4351061543111345
Energy: 1.4798916926503258
Energy: 1.5365377415238777
Energy: 1.8299982000005917
Energy: 1.5365377422883568
Energy: 1.605622895461165
Energy: 1.3893959364339241
Energy: 1.8870489802371393
Energy: 1.3893959364403403
Energy: 1.7448118453204795
Energy: 1.4258214212452929
Energy: 1.683931833424264
Energy: 1.4258214212427265
Energy: 1.8658909818646425
Energy: 1.4496426987853643
Energy: 1.5626730485203806
Energy: 1.449642698784081
Energy: 1.742491689733347
Energy: 1.4432219925705523
Energy: 1.3554974144682064
Energy: 1.4432219925679857
Energy: 1.6695722016916206
Energy: 1.446018367405107
Energy: 1.3704513334748776
Energy: 1.446018367405107
Energy: 1.7953539710413393
Energy: 1.428023178784947
Energy: 1.37440211792454
Energy: 1.42802317878623
Energy: 1.7868905129209438
Energy: 1.3789863781360168
Energy: 1.7176808854003254
Energy: 1.3789863781167675
Energy: 1.668719488337728
Energy: 1.5571115393749477
Energy: 1.8328781671975791
Energy: 1.5571115393762311
Energy: 1.6201989608696106
Energy: 1.3274234824600675
Energy: 1.8900626891906462
Energy: 1.327423483039843
Energy: 1.4420133068163818
Energy: 1.3244963708228572
Energy: 1.8115955330239581
Energy: 1.3244963708241404
Energy: 1.4653215059884106
Energy: 1.3872715837791874
Energy: 1.7264851512384305
Energy: 1.3872715837779042
Energy: 1.576877552603072
Energy: 1.3980397653598398
Energy: 1.535343676893888
Energy: 1.3980397653585568
Energy: 1.5086917682182697
Energy: 1.4616714237739334
Energy: 1.5687645729209072
Energy: 1.4616714237739334
Energy: 1.6118518434556335
Energy: 1.3960278081613011
Energy: 1.5217239572009744
Energy: 1.3960278081625845
Energy: 1.899615266621022
Energy: 1.5510177384160648
Energy: 1.5621236513975045
Energy: 1.5510177384160648
Energy: 1.9400134063989365
Energy: 1.5501050935023815
Energy: 1.6997053112644505
Energy: 1.5501050938307528
Energy: 1.592297873748484
Energy: 1.434196334010103
Energy: 1.7202929908219533
Energy: 1.4341963340113864
Energy: 1.5270379736131594
Energy: 1.4385053803467915
Energy: 1.6619426730503488
Energy: 1.438505380344254
Energy: 1.3546343497506907
Energy: 1.3888785936182666
Energy: 1.689868347432301
Energy: 1.3888785936182666
Energy: 1.4963312823795936
Energy: 1.4903081753405654
Energy: 1.7271843187581326
Energy: 1.4903081753405654
Energy: 1.3734832196632336
Energy: 1.3613537851125215
Energy: 1.7586779170091835
Energy: 1.361353785111238
Energy: 1.6199020874603751
Energy: 1.3720158350693825
Energy: 1.8478433820599103
Energy: 1.3720158350706655
Energy: 1.7717792457086
Energy: 1.377233107145115
Energy: 1.7115822664162508
Energy: 1.377233107184867
Energy: 1.8372561683864146
Energy: 1.4813347321828194
Energy: 1.8218501775544518
Energy: 1.4813347321841028

minimum gb energy = 1.3244963708228572 eV
minimum distance =  2.26485595856358 Angstroms
sigma value = 29


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

Energy: 1.7798786239927893
Energy: 1.219060383654363
Energy: 1.625457458846193
Energy: 1.2190603836526246
Energy: 1.5609705733138746
Energy: 1.2388657763118165
Energy: 1.4171556254637305
Energy: 1.2388657763122386
Energy: 1.5030774022844147
Energy: 1.2438615091536187
Energy: 1.4636854691149495
Energy: 1.2438615091544878
Energy: 1.4091524813147738
Energy: 1.244496233765172
Energy: 1.155762028032231
Energy: 1.2444962337647252
Energy: 1.3707597384152919
Energy: 1.2389632147179201
Energy: 1.4413067772604233
Energy: 1.2389632147174734
Energy: 1.4162758443937196
Energy: 1.25830741112415
Energy: 1.4861250385734073
Energy: 1.25830741112415
Energy: 1.4517742055503666
Energy: 1.4803269441951863
Energy: 1.3593098235305783
Energy: 1.4803269441982407
Energy: 1.441000818279707
Energy: 1.2547173758521903
Energy: 1.9058957681408675
Energy: 1.2547173758517434
Energy: 1.5610357971144169
Energy: 1.2569770279904644
Energy: 1.4677474663710992
Energy: 1.2569770279909114

minimum gb energy = 1.155762028032231 eV
minimum distance =  2.32164990390832 Angstroms
sigma value = 5


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

Energy: 1.7299900819423486
Energy: 1.8960740599570414
Energy: 1.9482520773604821
Energy: 1.8960740599703758
Energy: 1.477256270645247
Energy: 1.3918835379717567
Energy: 1.564473217331671
Energy: 1.3918835377621004
Energy: 1.3158686959663628
Energy: 1.2844752578195286
Energy: 1.6177424162370098
Energy: 1.2844752578195286
Energy: 1.24893181941329
Energy: 1.2892063184890965
Energy: 1.5261198354784873
Energy: 1.2892063184890965
Energy: 1.2677037236106317
Energy: 1.275949424332055
Energy: 1.5230986046589952
Energy: 1.275949448868258
Energy: 1.296275373908452
Energy: 1.301300731417333
Energy: 1.4725753162353392
Energy: 1.3013007314161211
Energy: 1.2796733723816958
Energy: 1.2884549296564807
Energy: 1.4613682333664957
Energy: 1.2884549296564807
Energy: 1.2848572021876346
Energy: 1.2861762324244521
Energy: 1.4826212931380354
Energy: 1.2861762324232402
Energy: 1.4781872352742167
Energy: 1.3846527617053663
Energy: 1.4282611263843505
Energy: 1.3846527617053663
Energy: 1.5919179744935763
Energy: 1.5009706582668525
Energy: 1.6209685884544007
Energy: 1.5009706582861928
Energy: 1.542897496183184
Energy: 1.4156480180788682
Energy: 1.549150439887972
Energy: 1.4156480180788682
Energy: 1.51965440467421
Energy: 1.2944891877882803
Energy: 1.6817961141118702
Energy: 1.2944891881699587
Energy: 1.460009986304324
Energy: 1.4616355956545282
Energy: 1.6301220872941762
Energy: 1.4616355956266478
Energy: 1.3841423260975638
Energy: 1.3010665299807538
Energy: 1.5107556988131357
Energy: 1.3010665299710562
Energy: 1.4603237630841093
Energy: 1.3018773305160323
Energy: 1.3121184591767272
Energy: 1.3018773305148201
Energy: 1.4646635971841935
Energy: 1.2807895767214321
Energy: 1.3219312262815135
Energy: 1.2807895767202198
Energy: 1.4496607108746529
Energy: 1.3622871687013185
Energy: 1.3128279258391375
Energy: 1.3622871687013185
Energy: 1.5844293543240346
Energy: 1.2778198138404189
Energy: 1.2484506342507922
Energy: 1.277819813839207
Energy: 1.5471594941771694
Energy: 1.3269033478638304
Energy: 1.2526640719392506
Energy: 1.3269033478638304
Energy: 1.6049869921537359
Energy: 1.2818341802954671
Energy: 1.2523512579665455
Energy: 1.281834180299104
Energy: 1.521910282699689
Energy: 1.3650370163390555
Energy: 1.7608593705591327
Energy: 1.36503701635239
Energy: 1.7048416770067962
Energy: 1.538422785854053
Energy: 1.7818904279945587
Energy: 1.5384227858649075
Energy: 1.5439539012704404
Energy: 1.3117674518175029
Energy: 1.2527414938969859
Energy: 1.3117674517447706
Energy: 1.6581126550433134
Energy: 1.339431772147605
Energy: 1.3593392906224095
Energy: 1.3394317721463926
Energy: 1.6903076935985735
Energy: 1.2566481342221623
Energy: 1.2932101414503987
Energy: 1.2566481341967062
Energy: 1.3659620666056747
Energy: 1.3040863802176705
Energy: 1.3765067563623223
Energy: 1.3040863802188825
Energy: 1.3440563378684889
Energy: 1.293776304773648
Energy: 1.5099895358364024
Energy: 1.293776304773648
Energy: 1.3711313100949498
Energy: 1.289522060023538
Energy: 1.3572017972280974
Energy: 1.289522060023538
Energy: 1.366625703524595
Energy: 1.4075637475102967
Energy: 1.4944861582020776
Energy: 1.4075637475102967
Energy: 1.2929427135241027
Energy: 1.3192585180449035
Energy: 1.6047761500356752
Energy: 1.3192585180436913
Energy: 1.4013277799106647
Energy: 1.3382914378040087
Energy: 1.6054513183598729
Energy: 1.3382914378027966
Energy: 1.2513676882188591
Energy: 1.2879459208992279
Energy: 1.5481346541354708
Energy: 1.2879459224065473
Energy: 1.495042891115094
Energy: 1.659342179998126
Energy: 1.7059396849881439
Energy: 1.6593421846424614

minimum gb energy = 1.2484506342507922 eV
minimum distance =  2.27807766152635 Angstroms
sigma value = 1


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

Energy: 2.5017000749766516
Energy: 1.5307494528789765
Energy: 1.713720025283162
Energy: 1.5307494528789765
Energy: 1.386827787838163
Energy: 1.3771494812817948
Energy: 1.430245053209956
Energy: 1.3771494812432832
Energy: 1.29372914903643
Energy: 1.2888106697692538
Energy: 1.453495908004317
Energy: 1.2888106697759583
Energy: 1.2896288565505145
Energy: 1.3034391988504708
Energy: 1.3668218005860588
Energy: 1.3034391988487946
Energy: 1.375903517277272
Energy: 1.2979444717860877
Energy: 1.4614716910407155
Energy: 1.2979444614459439
Energy: 1.3484384590783176
Energy: 1.2990100637350384
Energy: 1.4931702668549531
Energy: 1.2990100637350384
Energy: 1.3026549922906199
Energy: 1.3001577135782925
Energy: 1.4742136328305626
Energy: 1.3001577135782925
Energy: 1.4038335340414538
Energy: 1.2976514752506678
Energy: 1.4986687027294954
Energy: 1.2976514752506678
Energy: 1.4627781065439593
Energy: 1.2489690222856245
Energy: 1.4283139722137992
Energy: 1.2489690222873004
Energy: 2.051277989428666
Energy: 1.6335304854992143
Energy: 2.045554858215256
Energy: 1.6335304854992143
Energy: 1.5142329841491426
Energy: 1.2566668884207135
Energy: 1.4791281794353572
Energy: 1.2566668884240655
Energy: 1.207256362805516
Energy: 1.1791439225939861
Energy: 1.6282629560920907
Energy: 1.1791439225973384
Energy: 1.2035706439841831
Energy: 1.2187446285970078
Energy: 1.6336080569800322
Energy: 1.2187446285970078
Energy: 1.206104174069103
Energy: 1.2463284072017393
Energy: 1.479091145959453
Energy: 1.2463284072000633
Energy: 1.3668305978604731
Energy: 1.395287996035572
Energy: 1.4077022574527849
Energy: 1.395287996035572
Energy: 1.3669618132332875
Energy: 1.2190415434322839
Energy: 1.5212703414715398
Energy: 1.2190415434322839
Energy: 1.3894429093080654
Energy: 1.3288498911102056
Energy: 1.3713854914856811
Energy: 1.3288498911102056
Energy: 1.4629776573012665
Energy: 1.2842559493920802
Energy: 1.3738067533307414
Energy: 1.2842559493920802
Energy: 1.8175165081884972
Energy: 1.3150598198457433
Energy: 1.3417434473134282
Energy: 1.3150598198457433
Energy: 1.475501988928492
Energy: 1.3063504393591734
Energy: 1.458045080781983
Energy: 1.3063504393591734
Energy: 1.3971619831342137
Energy: 1.2971854442546151
Energy: 1.5501660660767667
Energy: 1.2971854442546151
Energy: 1.4142595001541325
Energy: 1.6215869222593846
Energy: 1.5503634904562953
Energy: 1.6215869222610606
Energy: 1.4150980313033314
Energy: 1.3459250320772818
Energy: 1.4886208341083091
Energy: 1.3459248758379097
Energy: 1.4589235198514259
Energy: 1.5359309962031937
Energy: 1.591786968919966
Energy: 1.5359309961998413

minimum gb energy = 1.1791439225939861 eV
minimum distance =  2.26800388060449 Angstroms
sigma value = 17


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

Energy: 2.24409066598112
Energy: 1.7320384870837124
Energy: 1.9036019520668557
Energy: 1.732038485304758
Energy: 1.2272949464405483
Energy: 1.4855991611107846
Energy: 1.4624082132554916
Energy: 1.4855991611045687
Energy: 1.2820125046879987
Energy: 1.2474576276924627
Energy: 1.5552412611684063
Energy: 1.2474576276903906
Energy: 1.2252802777946374
Energy: 1.2491835958841215
Energy: 1.5776080274119353
Energy: 1.2491835958820499
Energy: 1.2272989862340633
Energy: 1.3468937087213146
Energy: 1.495028721425026
Energy: 1.3468937089884474
Energy: 1.3036699261046099
Energy: 1.2494791230252908
Energy: 1.302703954765983
Energy: 1.249479123024255
Energy: 1.3042674135080448
Energy: 1.2435477381413096
Energy: 1.3028945099329217
Energy: 1.2435477381413096
Energy: 1.344697722840496
Energy: 1.2624354248406282
Energy: 1.3530307458156157
Energy: 1.2624354248395921
Energy: 1.4896747922711446
Energy: 1.2399720616787084
Energy: 1.2242401865141541
Energy: 1.239972061593808
Energy: 1.496608323881869
Energy: 1.2731115749866595
Energy: 1.228614373044638
Energy: 1.2731115749876953
Energy: 1.4700591526523856
Energy: 1.2406235342546026
Energy: 1.225353353562853
Energy: 1.2406235342711776
Energy: 1.4424337734470403
Energy: 1.2503836968258537
Energy: 1.7294667951226665
Energy: 1.2503836968279254
Energy: 1.5600014366185675
Energy: 1.4937549444552645
Energy: 1.5208384721809458
Energy: 1.4937549444998104
Energy: 1.5200266198152685
Energy: 1.4189914536576385
Energy: 1.2263602539806786
Energy: 1.4189914536576385
Energy: 1.5622163100909066
Energy: 1.246839175104427
Energy: 1.3332554903257585
Energy: 1.2468391751033912
Energy: 1.5551398457124883
Energy: 1.2303027029583546
Energy: 1.2528383689147904
Energy: 1.2303027030142486
Energy: 1.3027499192362237
Energy: 1.2581578937790658
Energy: 1.426430851510696
Energy: 1.2581578937655982
Energy: 1.2591678346217545
Energy: 1.248955237334095
Energy: 1.3881763199565176
Energy: 1.248955237336167
Energy: 1.2605565294952092
Energy: 1.242507429606495
Energy: 1.377662303233674
Energy: 1.2425074296075311
Energy: 1.3500888485309663
Energy: 1.3628511403022225
Energy: 1.4611921417717877
Energy: 1.3628511403032584
Energy: 1.3079271494861542
Energy: 1.2509525347935808
Energy: 1.4966728381423984
Energy: 1.2509525347935808
Energy: 1.238200934305945
Energy: 1.2460803707180506
Energy: 1.5160048925200253
Energy: 1.2460803707170147
Energy: 1.286673363124157
Energy: 1.2484094088032136
Energy: 1.3361712666025733
Energy: 1.2484094088021778
Energy: 1.5823433298677707
Energy: 1.3200991051984667
Energy: 1.4295816842229965
Energy: 1.3200991051777478
Energy: 1.579723455515824
Energy: 1.2411444996901386
Energy: 1.3433445782103697
Energy: 1.241144499688067
Energy: 1.432479465688425
Energy: 1.2481489218270017
Energy: 1.4375584747836405
Energy: 1.2481487772555748
Energy: 1.6744911384846373
Energy: 1.4891400691965042
Energy: 1.586250745482981
Energy: 1.4891400668500872
Energy: 1.3381034540863157
Energy: 1.2558546782695572
Energy: 1.3404906392721283
Energy: 1.2558546784082796
Energy: 1.509435141342304
Energy: 1.239665229140306
Energy: 1.2386090572197834
Energy: 1.2396652291423782
Energy: 1.4411779050115137
Energy: 1.2629345239081198
Energy: 1.237103180083347
Energy: 1.262934523905012
Energy: 1.479041215597365
Energy: 1.252767989504335
Energy: 1.2375433902120314
Energy: 1.252767989504335
Energy: 1.4029208416387178
Energy: 1.2551585936705412
Energy: 1.2592566830651024
Energy: 1.255158593671577
Energy: 1.3887380361522412
Energy: 1.2535385185220087
Energy: 1.262121023406376
Energy: 1.2535385185220087
Energy: 1.39027746111959
Energy: 1.2523910642784555
Energy: 1.3110281856701476
Energy: 1.2523910642784555
Energy: 1.2565025300369024
Energy: 1.2306440537188432
Energy: 1.4686017443483332
Energy: 1.2306440537188432
Energy: 1.4026566446344366
Energy: 1.367212625560091
Energy: 1.5884518108421553
Energy: 1.367212625560091
Energy: 1.2265834790573438
Energy: 1.2258918560017487
Energy: 1.4967232631112615
Energy: 1.2258918560017487
Energy: 1.8757969172223845
Energy: 1.2559014489038847
Energy: 1.4815979188960173
Energy: 1.255901448952574

minimum gb energy = 1.2242401865141541 eV
minimum distance =  2.28370844911384 Angstroms
sigma value = 89


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

Energy: 2.401999768980432
Energy: 1.1927415603584046
Energy: 1.5322082472177094
Energy: 1.192741560358682
Energy: 1.4047690906540495
Energy: 1.1711834625841568
Energy: 1.1727900416533692
Energy: 1.1711834625841568
Energy: 1.1758954180266457
Energy: 1.168346601831907
Energy: 1.3157552922630733
Energy: 1.1683466018324613
Energy: 1.172216324005303
Energy: 1.1760850327441876
Energy: 1.3150413081403363
Energy: 1.176085032744742
Energy: 1.1751766163959083
Energy: 1.1856207593831871
Energy: 1.324828243975884
Energy: 1.1856207593571901
Energy: 1.2498874757073213
Energy: 1.1840460108714257
Energy: 1.289458690511328
Energy: 1.1840460108711794
Energy: 1.2498084846065882
Energy: 1.1711688736470962
Energy: 1.49530372737036
Energy: 1.1711688736473427
Energy: 1.2766038464175402
Energy: 1.1719490637344416
Energy: 1.2796769811232527
Energy: 1.1719490637344416
Energy: 1.3740874461101191
Energy: 1.1774380080323794
Energy: 1.1725987575141603
Energy: 1.1774380080326567
Energy: 1.371479344275708
Energy: 1.1770943999856929
Energy: 1.1753307522251855
Energy: 1.1770943999472212
Energy: 1.4350646678565242
Energy: 1.1721451405202552
Energy: 1.176662854165453
Energy: 1.1721451405194236
Energy: 1.1720484141512206
Energy: 1.1670243692244329
Energy: 1.4807069978954481
Energy: 1.167024369223632
Energy: 1.3030367707550587
Energy: 1.1886392721500199
Energy: 1.3712286562092475
Energy: 1.188639272150574
Energy: 1.1768851057477554
Energy: 1.2742362469674207
Energy: 1.176070405905001
Energy: 1.2742362469674207
Energy: 1.4046923488324952
Energy: 1.17767729227257
Energy: 1.221403720116089
Energy: 1.1776772922712149

minimum gb energy = 1.167024369223632 eV
minimum distance =  2.30796732651024 Angstroms
sigma value = 13


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

Energy: 1.9400815242249236
Energy: 1.1741809071346936
Energy: 1.4647257286008049
Energy: 1.1741809071346936
Energy: 1.1439825199042286
Energy: 1.1472413481066523
Energy: 1.2509749181773508
Energy: 1.1472413481077883
Energy: 1.1505925730146098
Energy: 1.144408656770564
Energy: 1.3505203738592741
Energy: 1.1444086567717002
Energy: 1.1490880096342293
Energy: 1.1687411879754885
Energy: 1.3437829130245211
Energy: 1.1687411879766247
Energy: 1.1596254399871806
Energy: 1.1634991162061141
Energy: 1.2863588612121433
Energy: 1.1634991162061141
Energy: 1.284079385202216
Energy: 1.1190064174891268
Energy: 1.1756900259200005
Energy: 1.119006417490263
Energy: 1.274495132240881
Energy: 1.1137238028432526
Energy: 1.3498993909060626
Energy: 1.1137238028432526
Energy: 1.2977832002478213
Energy: 1.1507878942009775
Energy: 1.1887071940965046
Energy: 1.1507878941987053
Energy: 1.2790831168108263
Energy: 1.1290959883778908
Energy: 1.178570968482345
Energy: 1.1290959883778908
Energy: 1.2788955090480345
Energy: 1.119932398956331
Energy: 1.1740602963351763
Energy: 1.119932398956331
Energy: 1.2974086574950683
Energy: 1.1185489091801473
Energy: 1.2305056674340784
Energy: 1.118548909179011
Energy: 1.1509200752372815
Energy: 1.1523472985941845
Energy: 1.375891542654484
Energy: 1.1523472985941845
Energy: 1.1510878811779333
Energy: 1.1529432677622145
Energy: 1.254559673689533
Energy: 1.1529432677622145
Energy: 1.1579119280560077
Energy: 1.163892671532509
Energy: 1.476231402347057
Energy: 1.1638926713724222
Energy: 1.2585035774131719
Energy: 1.1509060873862422
Energy: 1.1479867144408629
Energy: 1.1509060873635204
Energy: 1.3275077824956236
Energy: 1.1455262568222264
Energy: 1.1523669230898486
Energy: 1.145526256814274
Energy: 1.1512347200457307
Energy: 1.1466770923223029
Energy: 1.152011766506542
Energy: 1.1466770923654748
Energy: 1.1521167618467334
Energy: 1.1522402966649994
Energy: 1.3420620615658163
Energy: 1.1522402966627274
Energy: 1.154912117207597
Energy: 1.1490108723723693
Energy: 1.1407038862125953
Energy: 1.1490108723712331
Energy: 1.2503641107852264
Energy: 1.1443759582914288
Energy: 1.1580910460891154
Energy: 1.1443759582902928
Energy: 1.3885550741471133
Energy: 1.1520378946982857
Energy: 1.149250838740352
Energy: 1.1520378947016938
Energy: 1.3392374799809528
Energy: 1.3035088595840665
Energy: 1.1510456994827407
Energy: 1.3035088596045163
Energy: 1.17823366479319
Energy: 1.1210257882122214
Energy: 1.2852360307760575
Energy: 1.1210257882133576
Energy: 1.1770989675368495
Energy: 1.123723365340172
Energy: 1.2046867114121473
Energy: 1.123723365341308
Energy: 1.21588207175998
Energy: 1.1257872871267667
Energy: 1.2592637275204686
Energy: 1.1257872871279029
Energy: 1.174874781485827
Energy: 1.1296562400134003
Energy: 1.2848289238531834
Energy: 1.1296562400134003
Energy: 1.1770982622303752
Energy: 1.1219942410295862
Energy: 1.277648966919116
Energy: 1.1219942410295862
Energy: 1.2281830123361615
Energy: 1.1184143936904425
Energy: 1.2852963495240768
Energy: 1.1184143936904425
Energy: 1.2252585166538643
Energy: 1.146209573419091
Energy: 1.149435580081624
Energy: 1.1462095734372684
Energy: 1.275074386733029
Energy: 1.173172043629573
Energy: 1.1514511765955682
Energy: 1.173172043630709
Energy: 1.42161210135187
Energy: 1.1457966297882611
Energy: 1.15752398099567
Energy: 1.1457966297882611
Energy: 1.1501479784839483
Energy: 1.14595491746957
Energy: 1.2581093593764265
Energy: 1.1459549174854753
Energy: 1.1516620066746512
Energy: 1.158658913656233
Energy: 1.5105216929295506
Energy: 1.1586589136482803
Energy: 1.152460018194943
Energy: 1.1502113726903485
Energy: 1.1578981895497469
Energy: 1.150211372573382
Energy: 1.1429385936528529
Energy: 1.1534433281576675
Energy: 1.1570419051233758
Energy: 1.1534433281576675

minimum gb energy = 1.1137238028432526 eV
minimum distance =  2.30446384916966 Angstroms
sigma value = 37


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

Energy: 2.0248402478006318
Energy: 1.1156494739712748
Energy: 1.4405716692349573
Energy: 1.1156494739712748
Energy: 1.0920494773588354
Energy: 1.0979025139513978
Energy: 1.211645373830895
Energy: 1.0979025139369378
Energy: 1.1042774120344157
Energy: 1.0939427561119865
Energy: 1.2900590427493233
Energy: 1.0939427561125643
Energy: 1.1313517066992695
Energy: 1.099146112034483
Energy: 1.2941250509433202
Energy: 1.0991461120346606
Energy: 1.2058088191384004
Energy: 1.129770464939047
Energy: 1.1658998483752592
Energy: 1.1297704649339604
Energy: 1.2396095986959377
Energy: 1.0497168246482727
Energy: 1.1074100549179604
Energy: 1.0497168246488497
Energy: 1.1829754264745356
Energy: 1.053766634214838
Energy: 1.2350636419998522
Energy: 1.053766634215038
Energy: 1.2089879554466345
Energy: 1.0500973477377118
Energy: 1.180891625455031
Energy: 1.0500973477379119
Energy: 1.1535297772902775
Energy: 1.0434167191730133
Energy: 1.152108612477579
Energy: 1.0434167191728354
Energy: 1.1519736049988667
Energy: 1.0365580906773872
Energy: 1.1522514839770308
Energy: 1.0365580906777871
Energy: 1.1684555963418508
Energy: 1.184825123676364
Energy: 1.2103607119012096
Energy: 1.184825123675964
Energy: 1.107854067632847
Energy: 1.0552920801887158
Energy: 1.2412975741419676
Energy: 1.0552920801890933
Energy: 1.1061485324395044
Energy: 1.0559906370554406
Energy: 1.2409277924435924
Energy: 1.0559906370552627
Energy: 1.165379739943308
Energy: 1.0597130823820662
Energy: 1.2304438745103665
Energy: 1.059713082382666
Energy: 1.2368803698299706
Energy: 1.0972178496390637
Energy: 1.1279631700085992
Energy: 1.0972178496390637
Energy: 1.2117245121956501
Energy: 1.0966230430032202
Energy: 1.1042311858871625
Energy: 1.0966230430057744
Energy: 1.2091719529708416
Energy: 1.1164270612467613
Energy: 1.1085882828506293
Energy: 1.1164270609849536
Energy: 1.1047709633531575
Energy: 1.0978098312533824
Energy: 1.202072225114456
Energy: 1.0978098345880287
Energy: 1.1077595366801518
Energy: 1.0927471823913726
Energy: 1.203484741197967
Energy: 1.0927471823905952
Energy: 1.103940235065778
Energy: 1.095981218439509
Energy: 1.1043597918324344
Energy: 1.0959812184389093

minimum gb energy = 1.0365580906773872 eV
minimum distance =  2.30840066969953 Angstroms
sigma value = 25


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

Energy: 1.3108083720804893
Energy: 1.0321310858906134
Energy: 1.2937227559694529
Energy: 1.0321310859211394
Energy: 1.0205445106197253
Energy: 1.0184354594424205
Energy: 1.1456173641864225
Energy: 1.018435459077808
Energy: 1.0286041244236588
Energy: 1.018048651397259
Energy: 1.1852655955976552
Energy: 1.0180486514003118
Energy: 1.041242491620046
Energy: 1.014926679187963
Energy: 1.139640343608238
Energy: 1.014926679187963
Energy: 1.1496531894923057
Energy: 1.0239986080237296
Energy: 1.0831383598816375
Energy: 1.023998608026782
Energy: 1.145849822473212
Energy: 0.9733434663461026
Energy: 1.0312747200371593
Energy: 0.9733434663461026
Energy: 1.1474435037363098
Energy: 0.9718939760453911
Energy: 1.100022595238974
Energy: 0.9718939760453911
Energy: 1.11966864717799
Energy: 0.9831953181618472
Energy: 1.1066466594499857
Energy: 0.9831953181618472
Energy: 1.0468619466526878
Energy: 0.9456726772226436
Energy: 1.1192436566975341
Energy: 0.9456726772226436
Energy: 1.048076587385843
Energy: 0.9460697022381568
Energy: 1.152847143758836
Energy: 0.9460697022396832
Energy: 1.1614485634375207
Energy: 1.0522270089289063
Energy: 1.0984648484175839
Energy: 1.0522270089289063
Energy: 1.0762264974935165
Energy: 0.935217007411221
Energy: 1.074385715588236
Energy: 0.935217007411221
Energy: 1.074479725865496
Energy: 0.9367059546467522
Energy: 1.074297164924468
Energy: 0.9367059546467522
Energy: 1.1004098949085817
Energy: 0.9581463337407828
Energy: 1.048570437183351
Energy: 0.9581463337407828
Energy: 1.1183509342953442
Energy: 0.9461312519253486
Energy: 1.2104293393685475
Energy: 0.9461312519253486
Energy: 1.1182669320513114
Energy: 0.9471617704191212
Energy: 1.047449143410886
Energy: 0.9471617704206474
Energy: 1.0950193877379741
Energy: 0.9895788580514875
Energy: 1.1196329345923988
Energy: 0.9895788652417519
Energy: 1.0484936443922626
Energy: 0.9717837770112527
Energy: 1.1266666718105451
Energy: 0.9717837770112527
Energy: 1.031381120863006
Energy: 0.9744154142758032
Energy: 1.1917952343489626
Energy: 0.9744154142758032
Energy: 1.1543625173755003
Energy: 1.0255968433300442
Energy: 1.1329160754915109
Energy: 1.025596843238501
Energy: 1.2604422615999822
Energy: 1.0180441086833565
Energy: 1.0282982047615343
Energy: 1.0180441086818304
Energy: 1.0833643073096872
Energy: 1.0208372334084452
Energy: 1.028239930118985
Energy: 1.020837233411498
Energy: 1.0840156739106541
Energy: 1.0179082528076306
Energy: 1.3749589814441254
Energy: 1.0179082528213677
Energy: 1.0315306846415901
Energy: 1.0226718500781777
Energy: 1.183606351978787
Energy: 1.0226718500766514
Energy: 1.0282975253283027
Energy: 1.1266173516163291
Energy: 1.0294926013491126
Energy: 1.1266173514652948
Energy: 1.181314183416856
Energy: 1.0174197039755704
Energy: 1.0283326455052362
Energy: 1.017419703974044

minimum gb energy = 0.935217007411221 eV
minimum distance =  2.31360930258148 Angstroms
sigma value = 41


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

Energy: 1.2438913057295014
Energy: 0.9656206157301057
Energy: 1.1724266186760948
Energy: 0.9656206157301057
Energy: 0.9533600667302733
Energy: 0.951523503202701
Energy: 1.0056836403473468
Energy: 0.951523503202701
Energy: 0.9578844508189639
Energy: 1.0833150914635528
Energy: 1.0512325003632006
Energy: 1.0833150914660552
Energy: 0.9598844734849371
Energy: 0.9461973894059367
Energy: 1.1124864758776971
Energy: 0.9461973894071879
Energy: 1.0887899214556649
Energy: 0.9748988609250835
Energy: 1.006685773592429
Energy: 0.9748988616167201
Energy: 1.0935793127846551
Energy: 0.909545305490166
Energy: 0.9618527472792642
Energy: 0.909545305490166
Energy: 1.093684592943535
Energy: 0.9074350077454224
Energy: 0.9631521829046855
Energy: 0.9074350077441711
Energy: 1.039269594766741
Energy: 1.047419339904231
Energy: 1.0601334369728355
Energy: 1.047419339899226
Energy: 0.9753445190452475
Energy: 0.8794430929547242
Energy: 1.0445863645899105
Energy: 0.8794430929534729
Energy: 0.9766155746872286
Energy: 0.8818956319518172
Energy: 1.0498848509084282
Energy: 0.8818956319530685
Energy: 1.0215386533155137
Energy: 0.8747384488242247
Energy: 1.0245080430748104
Energy: 0.8747384488230302
Energy: 1.0377719816389885
Energy: 0.8633658158175572
Energy: 0.9919404995766855
Energy: 0.8633658158175572
Energy: 1.0651552638577395
Energy: 0.8662440706018151
Energy: 0.9932526513766543
Energy: 0.8662440706018151
Energy: 1.0134854766634613
Energy: 0.8608306401491088
Energy: 1.0309435115227634
Energy: 0.8608306403242362
Energy: 1.0079676970032116
Energy: 0.8550729391758154
Energy: 1.008635302475888
Energy: 0.8550729391758154
Energy: 1.0028441363793483
Energy: 0.8579386549145444
Energy: 1.0446916190724027
Energy: 0.8579386549145444
Energy: 0.9961135797017537
Energy: 0.8728466318093753
Energy: 1.013370391858724
Energy: 0.8728466318093753
Energy: 1.1134806753967514
Energy: 0.8640812434024798
Energy: 1.0311581585816145
Energy: 0.8640812434024798
Energy: 1.0005173295317387
Energy: 0.8629532763172949
Energy: 1.0256482783644505
Energy: 0.8629532763172949
Energy: 1.0200616856035614
Energy: 0.8801533610558888
Energy: 0.9880323837805793
Energy: 0.8801533610546376
Energy: 1.0740303570476888
Energy: 0.8803079476524588
Energy: 0.9768724963473111
Energy: 0.8803079476512075
Energy: 1.063833352883331
Energy: 0.8819526315182674
Energy: 0.9995441221059325
Energy: 0.8819526315182674
Energy: 1.0014641085099396
Energy: 0.9104921478369655
Energy: 1.0390774002204086
Energy: 0.9104921478369655
Energy: 0.9833716557498922
Energy: 0.9116025920821855
Energy: 1.0697809718982512
Energy: 0.911602592079683
Energy: 1.0066341852603289
Energy: 0.9169682877595852
Energy: 1.0770754334841202
Energy: 0.9169682877633392
Energy: 1.0377953974977772
Energy: 1.053726959137324
Energy: 0.9598172739709012
Energy: 1.0537269591361293
Energy: 1.0345771276192157
Energy: 0.9456264896184363
Energy: 0.957941043492969
Energy: 0.945626489617185
Energy: 1.2602769479360447
Energy: 0.978228687882276
Energy: 0.9580710269823912
Energy: 0.9782287046624863
Energy: 1.0600279585821106
Energy: 0.9508691494153406
Energy: 1.1234018387232991
Energy: 0.9508691494153406
Energy: 0.957811320184258
Energy: 0.947006105297042
Energy: 1.0371045145984266
Energy: 0.947006105297042
Energy: 0.9583827647331685
Energy: 1.0480858223674943
Energy: 0.9577707002334561
Energy: 1.0480862534972564
Energy: 1.1610007819717503
Energy: 0.955854305730798
Energy: 0.9612934263956445
Energy: 0.9558543057257927

minimum gb energy = 0.8550729391758154 eV
minimum distance =  2.32028457923691 Angstroms
sigma value = 15


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

Energy: 1.1115818919464975
Energy: 0.9033755840764562
Energy: 1.0785214093221294
Energy: 0.9033755840838766
Energy: 0.8944461659933197
Energy: 0.8566270628292569
Energy: 0.9007850913797635
Energy: 0.8566270628323889
Energy: 0.8973675729158143
Energy: 0.978903689741763
Energy: 0.981987906998546
Energy: 0.9789036897407031
Energy: 0.9350420671252587
Energy: 0.8881045233928607
Energy: 1.0423060874917953
Energy: 0.8881045233621677
Energy: 1.006641128375881
Energy: 0.9449286366192519
Energy: 0.9406791744568304
Energy: 0.9449286366224319
Energy: 1.0254020380944597
Energy: 0.8566375714327438
Energy: 0.9078423828118934
Energy: 0.8566375714327438
Energy: 1.002943046553036
Energy: 0.8558274972394426
Energy: 0.9513503655962832
Energy: 0.8558274972405028
Energy: 0.9697104097440358
Energy: 0.9381629415040649
Energy: 0.9468799223116174
Energy: 0.9381629418145123
Energy: 0.9132927318088421
Energy: 0.826344490731086
Energy: 1.0040772154616167
Energy: 0.826344490731086
Energy: 0.912026305682602
Energy: 0.8303327860974883
Energy: 1.0048796652079084
Energy: 0.8303327860974883
Energy: 0.9317958596804782
Energy: 0.8072615077193094
Energy: 0.9529514159891906
Energy: 0.8072615077203693
Energy: 1.0038162087846731
Energy: 0.806568355689528
Energy: 0.9244390154310292
Energy: 0.806568355690588
Energy: 1.0431019176655822
Energy: 0.8098086137661334
Energy: 0.9282644457259093
Energy: 0.8098086137671934
Energy: 0.9477489023836545
Energy: 0.8092684546797587
Energy: 0.9663360859912954
Energy: 0.8092684546797587
Energy: 0.9427116400526943
Energy: 0.7975437530686482
Energy: 0.9653107577747023
Energy: 0.7975437530675882
Energy: 0.9371610125090368
Energy: 0.8017658604473227
Energy: 0.991288793301226
Energy: 0.8017658604494426
Energy: 0.9223577786651462
Energy: 0.7992517029828665
Energy: 0.9477701595822893
Energy: 0.7992517029807465
Energy: 0.949881505925491
Energy: 0.7936158130783504
Energy: 0.9476931312031619
Energy: 0.7936158130794103
Energy: 0.9483139935050907
Energy: 0.7977111952186198
Energy: 0.9399517117269627
Energy: 0.7977111952186198
Energy: 0.9453598915897562
Energy: 0.8024243209281869
Energy: 0.9514218849667596
Energy: 0.8024243209281869
Energy: 0.9683458165752001
Energy: 0.7979820437698231
Energy: 0.944168964284147
Energy: 0.7979820437708832
Energy: 0.9483183511519017
Energy: 0.7984608645528198
Energy: 0.9471033890924065
Energy: 0.7984608645538799
Energy: 0.9286708011573382
Energy: 0.8076915357784762
Energy: 0.9464799275968827
Energy: 0.8076915357795362
Energy: 0.9253453381698006
Energy: 0.8096697397613706
Energy: 0.9863711973178904
Energy: 0.8096697397613706
Energy: 0.9587736167792036
Energy: 0.8076126561256305
Energy: 0.9238555609636293
Energy: 0.8076126561245704
Energy: 0.9527295461386139
Energy: 0.8314828814964194
Energy: 0.9247240977835314
Energy: 0.8314828814964194
Energy: 1.015629648098824
Energy: 0.8270376829503409
Energy: 0.9124788292855346
Energy: 0.8270376829482209
Energy: 0.9868946375749046
Energy: 0.8319962992309128
Energy: 0.9345260922313562
Energy: 0.8319962918033029
Energy: 0.9362018319003617
Energy: 0.8546586631047353
Energy: 1.0245486623646693
Energy: 0.8546586631036753
Energy: 0.9064376422134371
Energy: 0.8562447012353411
Energy: 1.0412290247462592
Energy: 0.8562447012332212
Energy: 0.9420433656278638
Energy: 0.9678571291696031
Energy: 0.9339784736857674
Energy: 0.9678571291240694
Energy: 1.0263610558140281
Energy: 0.8870304870570455
Energy: 0.8980430473428601
Energy: 0.887030487044325
Energy: 1.0382545959402432
Energy: 0.8938659878817604
Energy: 0.8975136628025419
Energy: 0.8938659878901927
Energy: 0.9402345713437704
Energy: 0.8583696124689544
Energy: 0.9010669809155475
Energy: 0.8583696124636543
Energy: 0.8980960794347197
Energy: 1.126710299720548
Energy: 1.2824404619248626
Energy: 1.1267105674410953
Energy: 1.1152923440926241
Energy: 0.9783303627769708
Energy: 0.9420792833497517
Energy: 0.9783303627737908
Energy: 0.9041700128752121
Energy: 0.88940344357445
Energy: 0.9260214825588606
Energy: 0.8894034432968638

minimum gb energy = 0.7936158130783504 eV
minimum distance =  2.32022907367501 Angstroms
sigma value = 85


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

Energy: 1.0120027874918005
Energy: 0.7766011444266626
Energy: 0.9540866172215818
Energy: 0.7766011445295907
Energy: 0.7810080423223112
Energy: 0.7564070911803117
Energy: 0.8002485194528215
Energy: 0.7564070911793922
Energy: 0.7897352162765309
Energy: 0.7581910747348515
Energy: 0.8430749615925173
Energy: 0.7581716946126563
Energy: 0.7905939517609932
Energy: 0.7782181886225509
Energy: 0.909189116175456
Energy: 0.7782181886170344
Energy: 0.8649167934329145
Energy: 0.8337565311820776
Energy: 0.8300774663770448
Energy: 0.8337565311848356
Energy: 0.9048319155004398
Energy: 0.7554559667982143
Energy: 0.8001776385614356
Energy: 0.7554559667982143
Energy: 0.8518808978409831
Energy: 0.7550297933867138
Energy: 0.8564544267273105
Energy: 0.7550297933867138
Energy: 0.833267488636122
Energy: 1.0109896116088921
Energy: 0.8507816965873709
Energy: 1.0109896116079728
Energy: 0.8205257518903488
Energy: 0.7390037937856231
Energy: 0.9121229903258785
Energy: 0.7390037937865424
Energy: 0.8410581939548022
Energy: 0.7401407684592821
Energy: 0.9105204981774253
Energy: 0.7401407684592821
Energy: 0.8419571821534202
Energy: 0.730793460024982
Energy: 0.854981922577418
Energy: 0.730793460024982
Energy: 0.8995775436298161
Energy: 0.7277387607887603
Energy: 0.8362840819086598
Energy: 0.7277387607896797
Energy: 0.8580575545106192
Energy: 0.7307621186428591
Energy: 0.8437410526069917
Energy: 0.7307621186428591
Energy: 0.8593386512992557
Energy: 0.7243108768035315
Energy: 0.8357565994665627
Energy: 0.7243108768044509
Energy: 0.8560171140729201
Energy: 0.7230897819222495
Energy: 0.8924820354705829
Energy: 0.7230897819222495
Energy: 0.872593806465828
Energy: 0.724882456167539
Energy: 0.8643453249487273
Energy: 0.724882456167539
Energy: 0.8863985951032424
Energy: 0.7228135177919779
Energy: 0.8648799676814541
Energy: 0.7228135177910585
Energy: 0.8928867563055373
Energy: 0.722433816058715
Energy: 0.8720809301667087
Energy: 0.722433816058715
Energy: 0.8694416393705271
Energy: 0.7215180886115147
Energy: 0.8756230086624643
Energy: 0.7215180886096758
Energy: 0.8935267398286404
Energy: 0.7209311500734257
Energy: 0.8876245940141465
Energy: 0.7209311500743449
Energy: 0.8843938495746039
Energy: 0.7219458680099957
Energy: 0.8841400164070068
Energy: 0.7219458680099957
Energy: 0.8608006738623258
Energy: 0.7224025103178068
Energy: 0.8703341001178636
Energy: 0.7224025103113919
Energy: 0.8779311651349041
Energy: 0.7229847793402621
Energy: 0.9235478242601952
Energy: 0.7229847793402621
Energy: 0.8705598693877439
Energy: 0.7273944141378802
Energy: 0.8924969238572331
Energy: 0.7273944141378802
Energy: 0.8656715272707444
Energy: 0.7223834627349024
Energy: 0.8728244805326744
Energy: 0.7223834627909634
Energy: 0.940586561902411
Energy: 0.7240285637631079
Energy: 0.8609968358254803
Energy: 0.7240285637640272
Energy: 0.9012999939417935
Energy: 0.7236877366038863
Energy: 0.8556507948944249
Energy: 0.7236877366038863
Energy: 0.8355918541324111
Energy: 0.727522917679178
Energy: 0.8582242188604767
Energy: 0.7275229176773391
Energy: 0.8415926480235826
Energy: 0.7296219730656989
Energy: 0.9084429325046139
Energy: 0.7296219730647796
Energy: 0.8380766866368462
Energy: 0.7287829763156429
Energy: 0.912757625827227
Energy: 0.7287829763147233
Energy: 0.8547332937367633
Energy: 0.8112907361870048
Energy: 0.8412652306811983
Energy: 0.8112907362246784
Energy: 0.906662317401341
Energy: 0.7376106313437557
Energy: 0.8345632504073403
Energy: 0.7376106313446751
Energy: 0.9235676788883188
Energy: 0.7396751004999216
Energy: 0.8178798743226372
Energy: 0.7396750999761075
Energy: 0.8791454718989717
Energy: 0.8392746801606467
Energy: 0.8606904862057425
Energy: 0.8392746801652438
Energy: 0.8331787827805401
Energy: 0.7549373710708303
Energy: 0.8992935210988862
Energy: 0.7549373710708303
Energy: 0.8004433211424169
Energy: 0.7552915130817486
Energy: 0.8606768552293659
Energy: 0.755291513085426
Energy: 0.8522645865549724
Energy: 0.8383500854054718
Energy: 0.8651892010302229
Energy: 0.8383500854045525
Energy: 0.9145495348754864
Energy: 0.7825145929053106
Energy: 0.8033374794662346
Energy: 0.7825145929043912
Energy: 0.8313727686555039
Energy: 0.7887736775355741
Energy: 0.7899457523691877
Energy: 0.7887736852539808
Energy: 0.8002354199564806
Energy: 0.7543746817160341
Energy: 0.8183454855424566
Energy: 0.7543746817160341
Energy: 0.789657519236678
Energy: 0.7798244996088471
Energy: 0.8284881071160177
Energy: 0.7798244996189602
Energy: 0.7899604745712869
Energy: 0.7882981001640925
Energy: 0.7903246586582438
Energy: 0.7882980924567183
Energy: 0.8892442136958559
Energy: 0.7819121171083618
Energy: 0.7898498987154062
Energy: 0.7819121169925625

minimum gb energy = 0.7209311500734257 eV
minimum distance =  2.31684368442175 Angstroms
sigma value = 113


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

Energy: 0.014917206427649807
Energy: 0.01527568668576074
Energy: 1.0132027214064891
Energy: 0.01527568668576074
Energy: 0.015476403252614545
Energy: 0.10942581191735548
Energy: 0.09539228193464037
Energy: 0.10942581191806224
Energy: 0.0953738348935294
Energy: 0.10948972540205745
Energy: 0.01553884466735401
Energy: 0.10948972540138993
Energy: 0.09528461551663925
Energy: 0.11025921742344173
Energy: 0.016559071444251842
Energy: 0.11025921742273494
Energy: 0.09677879230212146
Energy: 0.10921690368777959
Energy: 0.09634287998324106
Energy: 0.10921690368777959
Energy: 0.015362919243936905
Energy: 0.10943739533768657
Energy: 0.09524990708775488
Energy: 0.10943739533768657

minimum gb energy = 0.014917206427649807 eV
minimum distance =  2.45359627968208 Angstroms
sigma value = 1