Model name: model_name=MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450350014499071
mass=58.6934
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: 0.018148564552538556
Energy: 0.018406571560608497
Energy: 1.4669389585101658
Energy: 0.018406571560608497
Energy: 0.018406571560608497
Energy: 1.2243224804777153
Energy: 0.018406571560608497
Energy: 1.224322480478376
Energy: 1.466938958512112
Energy: 0.018406571560608497
Energy: 0.018148564552538556
Energy: 0.018406571560608497
Energy: 0.018406571560608497
Energy: 1.224322480478376
Energy: 0.018406571560608497
Energy: 1.224322480478376

minimum gb energy = 0.018148564552538556 eV
minimum distance =  2.42645585567566 Angstroms
sigma value = 1


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

Energy: 1.5683744889814943
Energy: 1.548381890179431
Energy: 1.4556524033396108
Energy: 1.548381890179431
Energy: 1.44539326229628
Energy: 1.4949964179042723
Energy: 1.453060371484811
Energy: 1.4949964179042723
Energy: 1.4030943699272553
Energy: 1.5344899359158644
Energy: 1.4888403629691416
Energy: 1.5344899359166662
Energy: 1.4369811463246052
Energy: 1.5070892158096512
Energy: 1.401586797508142
Energy: 1.5070892158096512
Energy: 1.4090119943302748
Energy: 1.5545792044149946
Energy: 1.4702516010203814
Energy: 1.5545792044149946
Energy: 1.378370301970255
Energy: 1.7187176583763253
Energy: 1.3768946286646406
Energy: 1.7187176583763253
Energy: 1.449361163928826
Energy: 1.5319423844433788
Energy: 1.3800420812440584
Energy: 1.531942384442577
Energy: 1.3209162857362753
Energy: 1.557602667393394
Energy: 1.3764597758656762
Energy: 1.5576026673941956
Energy: 1.4007423994445651
Energy: 1.7368724937627573
Energy: 1.4607718590177872
Energy: 1.7368724937627573
Energy: 1.365038620056719
Energy: 1.533179854755456
Energy: 1.313021123189664
Energy: 1.533179854755456
Energy: 1.4731134713186291
Energy: 1.5133829950623128
Energy: 1.4007007572487264
Energy: 1.5133829950631144
Energy: 1.4634892439093368
Energy: 1.554874691072411
Energy: 1.3808461755177435
Energy: 1.554874691072411
Energy: 1.4509515532856068
Energy: 1.5305714377851851
Energy: 1.4479465378098693
Energy: 1.5305714377859867
Energy: 1.4173378603977174
Energy: 1.5392542629759527
Energy: 1.3897790099655105
Energy: 1.539254262977556
Energy: 1.4310081976361475
Energy: 1.5493625603387724
Energy: 1.4450661184945004
Energy: 1.5493625603379708
Energy: 1.429157214714931
Energy: 1.5488517853158617
Energy: 1.4444856341727357
Energy: 1.5488517853158617
Energy: 1.4890340381701996
Energy: 1.5344885576773104
Energy: 1.3589404077373006
Energy: 1.5344885576773104
Energy: 1.453045137241166
Energy: 1.5033842299087274
Energy: 1.4838698264321182
Energy: 1.5033842299079259
Energy: 1.3348993665719522
Energy: 1.554158220820483
Energy: 1.379285214590986
Energy: 1.554158220820483
Energy: 1.483635513982663
Energy: 1.7155850296519422
Energy: 1.4031616173335364
Energy: 1.7155850296527437
Energy: 1.3799012404435191
Energy: 1.534582940901424
Energy: 1.3259029009160928
Energy: 1.5345829409022256
Energy: 1.401060586005069
Energy: 1.4249431046084708
Energy: 1.462802782132329
Energy: 1.42494310460694
Energy: 1.4312418074701325
Energy: 1.554558731744565
Energy: 1.3634001959716746
Energy: 1.554558731744565
Energy: 1.4138065577469667
Energy: 1.5303574361432222
Energy: 1.3783114637340208
Energy: 1.5303574361432222
Energy: 1.3800334959670069
Energy: 1.7189296811073183
Energy: 1.4481609158375612
Energy: 1.7189296811073183
Energy: 1.4057815071178748
Energy: 1.5554656199391304
Energy: 1.3946191328475586
Energy: 1.5554656199391304
Energy: 1.4406100304763838
Energy: 1.7472205036472865
Energy: 1.4006323874896538
Energy: 1.7472205036472865
Energy: 1.391321523147943
Energy: 1.5305517985877515
Energy: 1.545973688401326
Energy: 1.5305517985877515
Energy: 1.444218006311959
Energy: 1.4913175149633406
Energy: 1.4477505995898028
Energy: 1.4913175149641422
Energy: 1.514946440058548
Energy: 1.5500401620439084
Energy: 1.4633185956072015
Energy: 1.5500401620439084
Energy: 1.449445927721735
Energy: 1.537809777346783
Energy: 1.4509157104700514
Energy: 1.537809777346783
Energy: 1.4157040930198992
Energy: 1.5297194721109484
Energy: 1.4168198777457062
Energy: 1.5297194721101468
Energy: 1.4087974535590615
Energy: 1.5076981459278411
Energy: 1.406019183524966
Energy: 1.5076981459278411

minimum gb energy = 1.313021123189664 eV
minimum distance =  2.24139067186463 Angstroms
sigma value = 1


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

Energy: 1.664602705497244
Energy: 1.6474131173144166
Energy: 1.5480388263539022
Energy: 1.6474131173144166
Energy: 1.495104054235583
Energy: 1.5878703159312646
Energy: 1.5109142010291385
Energy: 1.587870315929437
Energy: 1.4562682036577643
Energy: 1.6505604142346886
Energy: 1.5317116629329457
Energy: 1.6505604142374304
Energy: 1.4486939014213545
Energy: 1.4632467235100868
Energy: 1.433232618050356
Energy: 1.4632467235100868
Energy: 1.448786070740297
Energy: 1.6198603263577265
Energy: 1.5048657523760185
Energy: 1.6198603263558984
Energy: 1.5505700521411263
Energy: 1.6199943743764103
Energy: 1.5320775497140582
Energy: 1.6199943743791525
Energy: 1.4950726773296688
Energy: 1.4636757939744007
Energy: 1.4528681025523607
Energy: 1.463675793977143
Energy: 1.3669818357292662
Energy: 1.6511040346383867
Energy: 1.4208448771600293
Energy: 1.6511040346383867
Energy: 1.4493798237884308
Energy: 2.080615331430177
Energy: 1.5504678507654837
Energy: 2.080615331431091
Energy: 1.4373741573385026
Energy: 1.6506378507183201
Energy: 1.5061609931873619
Energy: 1.650637850719234
Energy: 1.4962262964461324
Energy: 1.5678214177390748
Energy: 1.5180975409677817
Energy: 1.5678214177381609
Energy: 1.4093969948736997
Energy: 1.6319525797838927
Energy: 1.4787033453035203
Energy: 1.631952579784807
Energy: 1.5349528672731647
Energy: 1.614494318545781
Energy: 1.5007738072711285
Energy: 1.614494318544867
Energy: 1.534872140873333
Energy: 1.614517649690893
Energy: 1.4600982844906327
Energy: 1.6145176496918072
Energy: 1.409233452185959
Energy: 1.631933283949949
Energy: 1.57345645817759
Energy: 1.631933283949035
Energy: 1.496087162969146
Energy: 1.5676730560348808
Energy: 1.5107671056264373
Energy: 1.5676730560348808
Energy: 1.437612741278545
Energy: 1.6503679751793299
Energy: 1.3902443306060717
Energy: 1.6503679751784157
Energy: 1.4495433108583975
Energy: 2.080672531241503
Energy: 1.5503690511564823
Energy: 2.080672531241503
Energy: 1.3669636416832855
Energy: 1.6504177278182157
Energy: 1.4208941953239878
Energy: 1.6504177278173016
Energy: 1.4950274036104074
Energy: 1.463496118374202
Energy: 1.43301301133149
Energy: 1.4634961183751158
Energy: 1.5504796028102696
Energy: 1.6200183342000443
Energy: 1.4027814789449686
Energy: 1.6200183342009584
Energy: 1.4490252321685249
Energy: 1.6198866890296353
Energy: 1.5061900787504372
Energy: 1.6198866890287213
Energy: 1.4488543385814687
Energy: 1.4631848279423292
Energy: 1.4303191308760803
Energy: 1.4631848279423292
Energy: 1.456276016534798
Energy: 1.650578876071287
Energy: 1.5765101898495577
Energy: 1.650578876071287
Energy: 1.4952552105775256
Energy: 1.5937175665125891
Energy: 1.5106746644357323
Energy: 1.593717566511675
Energy: 1.664602705497244
Energy: 1.6474131173144166
Energy: 1.5480388263548162
Energy: 1.6474131173144166
Energy: 1.495104054235583
Energy: 1.5878703159312646
Energy: 1.5109142010282244
Energy: 1.5878703159276086
Energy: 1.4562682036577643
Energy: 1.6505604142346886
Energy: 1.4788968909624927
Energy: 1.6505604142374304
Energy: 1.4486939014204405
Energy: 1.4632467235100868
Energy: 1.433232618050356
Energy: 1.4632467235100868

minimum gb energy = 1.3669636416832855 eV
minimum distance =  2.23887520025427 Angstroms
sigma value = 25


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

Energy: 1.5624171949357073
Energy: 1.7144447342442066
Energy: 1.7057453442910495
Energy: 1.7144447342442066
Energy: 1.5882831900194605
Energy: 1.6419910291688762
Energy: 1.524293943277044
Energy: 1.6419910291688762
Energy: 1.5304793339027414
Energy: 1.7695207105080872
Energy: 1.5312324898046559
Energy: 1.7695207105080872
Energy: 1.5328015932231271
Energy: 1.5399608356933372
Energy: 1.4860536516286493
Energy: 1.5399608356922747
Energy: 1.4869624951159661
Energy: 1.742151375246922
Energy: 1.5840041203501558
Energy: 1.742151375246922
Energy: 1.6386411234553022
Energy: 1.7677310582647283
Energy: 1.7469671296818832
Energy: 1.7677310582636658
Energy: 1.5862517094813073
Energy: 1.5252174213384215
Energy: 1.5246596526458038
Energy: 1.5252174213384215
Energy: 1.745279539618754
Energy: 1.7217105434109767
Energy: 1.4439328840739234
Energy: 1.721710543409914
Energy: 1.524527955106986
Energy: 1.6415012283198875
Energy: 1.5860313242905162
Energy: 1.6415012283198875
Energy: 1.5267816665214908
Energy: 1.7682988946431089
Energy: 1.4762784028168725
Energy: 1.7682988946431089
Energy: 1.5833032524518211
Energy: 1.7120785764781072
Energy: 1.5859831515056284
Energy: 1.7120785764781072
Energy: 1.5487312270120093
Energy: 1.7142950347163708
Energy: 1.5230949095687007
Energy: 1.7142950347163708
Energy: 1.5309638795487566
Energy: 1.6616367051796956
Energy: 1.4743254192941233
Energy: 1.6616367051796956
Energy: 1.5241238393074688
Energy: 1.630179593129866
Energy: 1.59791017347867
Energy: 1.630179593129866
Energy: 1.5847925355254098
Energy: 1.7239184510729575
Energy: 1.4426127629637189
Energy: 1.7239184510729575
Energy: 1.586580360152349
Energy: 1.5338475504167037
Energy: 1.4861217225334782
Energy: 1.5338475504167037
Energy: 1.4222994254216668
Energy: 1.7697338858159792
Energy: 1.4221444797212264
Energy: 1.7697338858159792
Energy: 1.4856473115652553
Energy: 1.6517137493036316
Energy: 1.585346513640113
Energy: 1.6517137493036316
Energy: 1.5177338903886102
Energy: 1.6725405576675585
Energy: 1.4867897099864262
Energy: 1.6725405576675585
Energy: 1.5984684739133992
Energy: 1.7673068801019534
Energy: 1.5329671017034305
Energy: 1.7673068801019534
Energy: 1.5341949201939555
Energy: 1.641163819486325
Energy: 1.523234279655219
Energy: 1.6411638194852627
Energy: 1.5636544844986318
Energy: 1.715657985077019
Energy: 1.6500063427403646
Energy: 1.715657985077019
Energy: 1.5863835073099828
Energy: 1.652084974902694
Energy: 1.5230955857546447
Energy: 1.6520849749016315
Energy: 1.5283418276384304
Energy: 1.7679308618723095
Energy: 1.5270293501213215
Energy: 1.7679308618723095
Energy: 1.5869106741227428
Energy: 1.5396230572530976
Energy: 1.4870185528301247
Energy: 1.5396230572530976

minimum gb energy = 1.4221444797212264 eV
minimum distance =  2.23553404738608 Angstroms
sigma value = 9


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

Energy: 1.6298663499241741
Energy: 1.6301359450723891
Energy: 1.8793104445009416
Energy: 1.6301359450723891
Energy: 1.5688739911415917
Energy: 1.7266225375124926
Energy: 1.5892080483599003
Energy: 1.7266225375124926
Energy: 1.6050806745452906
Energy: 1.6469661056539546
Energy: 1.6226400686615443
Energy: 1.646966105652687
Energy: 1.8990662138363303
Energy: 1.6144318888639517
Energy: 1.519729280265927
Energy: 1.6144318888639517
Energy: 1.7338369846114332
Energy: 1.7277727470087245
Energy: 1.8787221529738112
Energy: 1.7277727470087245
Energy: 1.468639379399218
Energy: 1.6459967454423707
Energy: 1.6404982212748969
Energy: 1.6459967454436384
Energy: 1.584164802105754
Energy: 1.5189139521812713
Energy: 1.5199490267600164
Energy: 1.5189139521800037
Energy: 1.6666387767583224
Energy: 1.6458995110810506
Energy: 1.5021260243087302
Energy: 1.645899511082318
Energy: 1.5850103491849037
Energy: 1.7265420963081817
Energy: 1.687927915262381
Energy: 1.7265420963081817
Energy: 1.6231194004531118
Energy: 1.63076895280876
Energy: 1.6408493763735812
Energy: 1.63076895280876
Energy: 1.5284131290999496
Energy: 1.7432631766100524
Energy: 1.6055920586856656
Energy: 1.74326317661132
Energy: 1.6247129296561464
Energy: 1.7165466322161769
Energy: 1.519916166022594
Energy: 1.7165466322161769
Energy: 1.4683452459218513
Energy: 1.6470671878099248
Energy: 1.6646545553126098
Energy: 1.6470671878086574
Energy: 1.6027328362465374
Energy: 1.601496156114077
Energy: 1.58819585988157
Energy: 1.601496156114077
Energy: 1.4683564811029763
Energy: 1.6470820782267
Energy: 1.6669500905974004
Energy: 1.6470820782267
Energy: 1.6248093570418607
Energy: 1.716437330666681
Energy: 1.520139999792511
Energy: 1.7164373306654135
Energy: 1.5286540056197584
Energy: 1.7432876961209107
Energy: 1.6200791736320606
Energy: 1.7432876961196433
Energy: 1.6231533903131967
Energy: 1.630579674440896
Energy: 1.6410081300387436
Energy: 1.630579674440896
Energy: 1.5848242061330169
Energy: 1.7269015666833705
Energy: 1.5893738647799172
Energy: 1.726901566682103
Energy: 1.6668186433540333
Energy: 1.6461422442614209
Energy: 1.502122163773428
Energy: 1.6461422442614209
Energy: 1.584036816291095
Energy: 1.5190135801420315
Energy: 1.5201358973371275
Energy: 1.5190135801420315

minimum gb energy = 1.4683452459218513 eV
minimum distance =  2.3286550149359 Angstroms
sigma value = 25


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

Energy: 1.5413579583789871
Energy: 1.8897323315674155
Energy: 1.7424862196231912
Energy: 1.8897323315658483
Energy: 1.5136663486313744
Energy: 1.5554271497462564
Energy: 1.4939025722591532
Energy: 1.5554271497462564
Energy: 1.7040815704740842
Energy: 1.7959450018648293
Energy: 1.4942856197454326
Energy: 1.7959450018648293
Energy: 1.5398763392700616
Energy: 1.778316441334385
Energy: 1.7532833206326885
Energy: 1.7783164413359527
Energy: 1.7526526475872612
Energy: 1.5133367275264185
Energy: 1.4938116780446073
Energy: 1.5133367275264185
Energy: 1.4934140313645683
Energy: 1.7943778133867831
Energy: 1.7026389993364253
Energy: 1.7943778133867831
Energy: 1.4951218356467326
Energy: 1.7350564621274571
Energy: 1.4933537032024553
Energy: 1.7350564621274571
Energy: 1.732567084461574
Energy: 1.6297337502273097
Energy: 1.5403738242141316
Energy: 1.6297337502273097
Energy: 1.494187229123217
Energy: 1.63299756832456
Energy: 1.5159415053745142
Energy: 1.63299756832456
Energy: 1.7931358159022266
Energy: 1.6616507035149064
Energy: 1.7023622878240718
Energy: 1.6616507035149064
Energy: 1.647344245854404
Energy: 1.7774695806888114
Energy: 1.9858523989613426
Energy: 1.7774695806888114
Energy: 1.4937686588319532
Energy: 1.5623156259895976
Energy: 1.7939606520204152
Energy: 1.5623156259895976
Energy: 1.7423782227572435
Energy: 1.7949014901003493
Energy: 1.4933201665414764
Energy: 1.7949014900987816
Energy: 1.4940671823500742
Energy: 1.7599400956258726
Energy: 1.7501821945801928
Energy: 1.7599400956258726
Energy: 1.4936838232465626
Energy: 1.7573387359562287
Energy: 1.7325530947312213
Energy: 1.7573387359577959
Energy: 1.5133418121451232
Energy: 1.6620947315804238
Energy: 1.4935155679621968
Energy: 1.6620947315804238
Energy: 1.4934227088093717
Energy: 1.637971665530198
Energy: 1.7934998448946267
Energy: 1.637971665530198

minimum gb energy = 1.4933201665414764 eV
minimum distance =  2.32101751728814 Angstroms
sigma value = 17


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

Energy: 1.6731368380674785
Energy: 1.6736696940738953
Energy: 2.0283009086618766
Energy: 1.6736696940738953
Energy: 1.7634076629686313
Energy: 1.7048461579297733
Energy: 1.526763181212228
Energy: 1.7048461579288856
Energy: 1.9351918617312676
Energy: 1.6648405202118701
Energy: 1.5254076073416534
Energy: 1.6648405202118701
Energy: 1.5278613161524117
Energy: 1.866112566978564
Energy: 1.6836222448140417
Energy: 1.8661125669776764
Energy: 1.8239210814863123
Energy: 1.6445527213185775
Energy: 1.6010370993390188
Energy: 1.6445527213185775
Energy: 1.544976588569111
Energy: 1.6965648129645683
Energy: 1.9025436182238078
Energy: 1.6965648129645683
Energy: 1.5278777198794555
Energy: 1.7024911842142985
Energy: 1.6149367364736076
Energy: 1.7024911842142985
Energy: 1.9341109020850036
Energy: 1.695301033403717
Energy: 1.5430775412798505
Energy: 1.6953010334046048
Energy: 1.5442480734124402
Energy: 1.6982275399078095
Energy: 1.8178749338418747
Energy: 1.6982275399078095
Energy: 1.9249788765522025
Energy: 1.6431289440981194
Energy: 1.5262104396600198
Energy: 1.6431289440981194
Energy: 1.5315863427788927
Energy: 1.7083332743761155
Energy: 1.931615281195794
Energy: 1.7083332743761155
Energy: 1.544600481238229
Energy: 1.7004939401783505
Energy: 1.5447747213745326
Energy: 1.7004939401783505
Energy: 1.7554285105941403
Energy: 1.6736294789258714
Energy: 1.6799355544031238
Energy: 1.6736294789267594
Energy: 1.5254934074086786
Energy: 1.723392226520421
Energy: 1.7653992738605522
Energy: 1.723392226539024
Energy: 1.6972036924302272
Energy: 1.7034160789118828
Energy: 1.5442547041065422
Energy: 1.7034160789118828
Energy: 1.7595324637541836
Energy: 1.694819064787727
Energy: 1.7941681379374428
Energy: 1.6948190647886148
Energy: 1.6142291791159937
Energy: 1.765089676248214
Energy: 1.9347077512641515
Energy: 1.7650896762473263
Energy: 1.874950312642533
Energy: 1.6688067918864693
Energy: 1.5447998140070147
Energy: 1.668806791887357
Energy: 1.6944038383597952
Energy: 1.7616995569018534
Energy: 1.6325813923687216
Energy: 1.7616995569018534
Energy: 1.61334987845984
Energy: 1.867027086390916
Energy: 1.6629747034825546
Energy: 1.867027086390916
Energy: 1.6587835702213438
Energy: 1.6637433446205165
Energy: 1.7885449833584477
Energy: 1.6637433446205165
Energy: 1.6135224723176143
Energy: 1.8469720813061814
Energy: 1.9604010183989866
Energy: 1.8469720813061814
Energy: 1.809219016591943
Energy: 1.6739937468964303
Energy: 1.5247885367770515
Energy: 1.6739937468955424
Energy: 1.544902278217287
Energy: 1.761574499620223
Energy: 1.9156495346684888
Energy: 1.761574499620223
Energy: 1.641851560685231
Energy: 1.6640550469255189
Energy: 1.9201068725885468
Energy: 1.6640550469255189
Energy: 1.8101389079735881
Energy: 1.7087013700249898
Energy: 1.5268376419944516
Energy: 1.7087013700249898
Energy: 1.5674973341986227
Energy: 1.7742943676797558
Energy: 1.9916440580775585
Energy: 1.7742943676797558
Energy: 1.7564649957600946
Energy: 1.6951927663333126
Energy: 1.7902596420662846
Energy: 1.6951927663333126
Energy: 1.899514929278598
Energy: 1.8113737129122962
Energy: 1.5271863315261336
Energy: 1.8113737129122962
Energy: 1.5427090965280492
Energy: 1.7591671914203284
Energy: 1.873601632248088
Energy: 1.7591671914203284

minimum gb energy = 1.5247885367770515 eV
minimum distance =  2.2152485850506 Angstroms
sigma value = 53


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

Energy: 1.4290675868439036
Energy: 1.428734634921202
Energy: 1.972665769274419
Energy: 1.428734634921202
Energy: 1.7944580820702145
Energy: 1.6216753966461654
Energy: 1.7908471711243605
Energy: 1.6216753966461654
Energy: 1.4606073663161736
Energy: 1.4286165104501942
Energy: 1.7673162441038934
Energy: 1.4286165104481503
Energy: 1.460714346242012
Energy: 1.428714054687371
Energy: 1.6583429221373929
Energy: 1.428714054687371
Energy: 1.7945228723350581
Energy: 1.6216187219925267
Energy: 1.7358229077521357
Energy: 1.6216187219925267
Energy: 1.4290675868439036
Energy: 1.428734634921202
Energy: 1.972659752209858
Energy: 1.428734634921202
Energy: 1.7944580820722584
Energy: 1.6216753966461654
Energy: 1.7908471711243605
Energy: 1.6216753966461654
Energy: 1.4606073663161736
Energy: 1.4286165104481503
Energy: 1.7673162441038934
Energy: 1.4286165104481503
Energy: 1.460714346242012
Energy: 1.4287140546894148
Energy: 1.6313326184782726
Energy: 1.428714054687371
Energy: 1.7945228723350581
Energy: 1.6216187219925267
Energy: 1.7301265940735386
Energy: 1.6216187219925267
Energy: 1.4290675868439036
Energy: 1.428734634921202
Energy: 2.146359785664876
Energy: 1.428734634921202
Energy: 1.7944580820702145
Energy: 1.6216753966461654
Energy: 1.7908471711223166
Energy: 1.6216753966461654
Energy: 1.4606073663182175
Energy: 1.4286165104501942
Energy: 1.7673162441038934
Energy: 1.4286165104481503

minimum gb energy = 1.4286165104481503 eV
minimum distance =  2.29631785248211 Angstroms
sigma value = 9


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

Energy: 1.6368017696837238
Energy: 1.7981323680344226
Energy: 2.195452958151137
Energy: 1.798132368036692
Energy: 1.9738073093233182
Energy: 1.723884569643351
Energy: 1.614612616791365
Energy: 1.7238845696418381
Energy: 1.6350493474842105
Energy: 1.5544369793212565
Energy: 1.5774636927512944
Energy: 1.5544369793212565
Energy: 1.888292084659246
Energy: 1.8867038337445803
Energy: 1.6312796694473413
Energy: 1.8867038337415543
Energy: 1.9471406442706314
Energy: 1.6730808474368095
Energy: 1.6156612007000482
Energy: 1.6730808474375662
Energy: 1.617841744516124
Energy: 1.6197095515397892
Energy: 1.9129215962491408
Energy: 1.619709551539033
Energy: 2.1742648559873907
Energy: 1.6398647875474606
Energy: 1.6473622430809374
Energy: 1.6398647875451915
Energy: 1.646580836591843
Energy: 1.8957631808337794
Energy: 1.8180446719040952
Energy: 1.8957631808352922
Energy: 1.6388235892557108
Energy: 1.8928408100067506
Energy: 1.6175860739986587
Energy: 1.8928408100067506
Energy: 1.6729279226548812
Energy: 1.7094706367523993
Energy: 1.6772237166593458
Energy: 1.7094706367546686
Energy: 1.6310289674677816
Energy: 1.7600267337644737
Energy: 2.109553332589642
Energy: 1.7600267337644737
Energy: 1.8997952219924017
Energy: 1.75321029526324
Energy: 1.6518069006181169
Energy: 1.7532102952655093
Energy: 1.620568051156751
Energy: 1.6821561642935994
Energy: 1.9677162120091967
Energy: 1.6821561642943559
Energy: 1.8861633387722263
Energy: 1.7978767937884463
Energy: 1.5811056275314788
Energy: 1.7978767937892028
Energy: 1.6200909683881362
Energy: 1.7537627991971814
Energy: 1.8592364754270545
Energy: 1.7537627991933993
Energy: 1.6249084751816354
Energy: 1.891311014149605
Energy: 1.8477224131543817
Energy: 1.891311014149605
Energy: 1.7557645923857306
Energy: 1.8603055795800254
Energy: 1.6213880859184462
Energy: 1.8603055795769996
Energy: 1.631726506091957
Energy: 1.6402317641199846
Energy: 1.9459629990936786
Energy: 1.640231764120741
Energy: 1.9981593830638091
Energy: 1.7451955165360784
Energy: 1.621678964431439
Energy: 1.7451955165375912
Energy: 1.6154510423593853
Energy: 1.6987188141030116
Energy: 1.8644988927734871
Energy: 1.6987188141022551
Energy: 1.8258183492287645
Energy: 1.8842713538601763
Energy: 1.8383239486216372
Energy: 1.884271353861689
Energy: 1.7656248620958477
Energy: 1.5804043115255375
Energy: 1.6426263617893067
Energy: 1.5804043115232682
Energy: 1.6171000575889793
Energy: 1.7120767394433325
Energy: 1.722467342214085
Energy: 1.712076739442576
Energy: 2.0762477228213636
Energy: 1.7592000074895076
Energy: 1.626565898744509
Energy: 1.7592000074925331
Energy: 1.617093985854821
Energy: 1.7632482790293458
Energy: 2.0902481118800624
Energy: 1.763248279027833
Energy: 1.7154988147371428
Energy: 1.5541484333495454
Energy: 1.6160977278126276
Energy: 1.554148433348789
Energy: 1.746063599437301
Energy: 1.856777612997967
Energy: 1.8768578710735793
Energy: 1.856777612997967
Energy: 1.6374717358004889
Energy: 1.8274754495091543
Energy: 1.8879975019520134
Energy: 1.8274754495077101
Energy: 1.7302788834283294
Energy: 1.5529761878469237
Energy: 1.6146113204409174
Energy: 1.55297618784768
Energy: 1.616602335598716
Energy: 1.7870378805833411
Energy: 2.0889251134478624
Energy: 1.787037880586367
Energy: 1.9874125939686087
Energy: 1.7204049117373557
Energy: 1.6250269136769337
Energy: 1.7204049117358429
Energy: 1.6199878589157066
Energy: 1.7069785630869603
Energy: 1.6999348183999874
Energy: 1.706978563088473
Energy: 1.672397134173086
Energy: 1.7771522940364508
Energy: 1.6428224331217474
Energy: 1.7771522940379636
Energy: 1.8443760355628673
Energy: 1.9250555082256304
Energy: 1.828245243708439
Energy: 1.9250555082233611
Energy: 1.6113167698893869
Energy: 1.9660235890810716
Energy: 2.100492331454372
Energy: 1.9660235890780458

minimum gb energy = 1.5529761878469237 eV
minimum distance =  2.23936442453229 Angstroms
sigma value = 73


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

Energy: 1.667267710832614
Energy: 1.6673130846905737
Energy: 2.0515956208337496
Energy: 1.6673130846905737
Energy: 1.7136550585917552
Energy: 1.7038932983201556
Energy: 1.5534079443511175
Energy: 1.7038932983201556
Energy: 1.6783884808792509
Energy: 1.665666805659401
Energy: 1.5908601605860875
Energy: 1.6656668056606012
Energy: 1.6868402225192995
Energy: 1.7995171893508572
Energy: 1.5986284840995448
Energy: 1.7995171893520574
Energy: 1.6952724670340886
Energy: 1.7215897366029536
Energy: 1.5895342831570465
Energy: 1.7215897366029536
Energy: 1.6295256430729042
Energy: 1.6003078009539797
Energy: 2.0992054512954397
Energy: 1.6003078009527794
Energy: 2.173652643328712
Energy: 1.813628507810516
Energy: 1.6534687518202642
Energy: 1.813628507810516
Energy: 1.658879311750294
Energy: 1.5530785476559055
Energy: 1.9314356384739255
Energy: 1.5530785476559055
Energy: 2.0965398424365764
Energy: 1.5534993715977077
Energy: 1.5535521843961735
Energy: 1.5534993715977077
Energy: 1.5538999256703507
Energy: 1.7753666066036617
Energy: 1.5526351907760954
Energy: 1.7753666066036617
Energy: 1.6122416357520615
Energy: 1.5534324813601623
Energy: 1.973780891638538
Energy: 1.5534324813601623
Energy: 1.7854732958016921
Energy: 1.7991968787120796
Energy: 1.6441727093978067
Energy: 1.7991968787108796
Energy: 1.6277093385998764
Energy: 1.6759721032858146
Energy: 1.9101819848557557
Energy: 1.6759721032858146
Energy: 2.0767822111104586
Energy: 1.7815942760001668
Energy: 1.6829488274099047
Energy: 1.7815942760001668
Energy: 1.6337106610445693
Energy: 1.813757929824195
Energy: 1.996961036228215
Energy: 1.8137579298229949
Energy: 1.9988788473971921
Energy: 1.5532796066344174
Energy: 1.656273107301082
Energy: 1.5532796066344174
Energy: 1.6656330365021685
Energy: 1.667798618394342
Energy: 1.5539640627338382
Energy: 1.6677986183955424
Energy: 1.6663351183830133
Energy: 1.7987302505436278
Energy: 1.6519997497651844
Energy: 1.7987302505436278
Energy: 1.7943486112117708
Energy: 1.5528878428643296
Energy: 1.654825910379525
Energy: 1.5528878428655297
Energy: 1.6365198617533792
Energy: 1.7501027323580591
Energy: 2.05043952947639
Energy: 1.7501027323592593
Energy: 2.087349094869789
Energy: 1.6003747682916518
Energy: 1.6836692437974738
Energy: 1.6003747682916518
Energy: 1.5985943570261871
Energy: 1.7144146998991192
Energy: 1.860930005070162
Energy: 1.7144146999003194

minimum gb energy = 1.5526351907760954 eV
minimum distance =  2.25083071729033 Angstroms
sigma value = 7


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

Energy: 1.580509763322233
Energy: 1.581607447985387
Energy: 2.1588579949453224
Energy: 1.5816074479845381
Energy: 2.0324887739291686
Energy: 1.7298472118184463
Energy: 1.610507560804996
Energy: 1.7298472118192951
Energy: 1.6327209791396133
Energy: 1.8229977024472521
Energy: 1.590029075401642
Energy: 1.8229977024481008
Energy: 1.588548845762594
Energy: 1.6874641078070136
Energy: 1.6104981917239174
Energy: 1.6874641078053165
Energy: 1.6290459210370993
Energy: 1.6852056516937644
Energy: 1.5758280716062487
Energy: 1.6852056516954617
Energy: 1.6284337290121698
Energy: 1.5805356020268908
Energy: 2.048150615752872
Energy: 1.5805356020268908
Energy: 1.7537197645043474
Energy: 1.83135319577958
Energy: 1.5908809199129956
Energy: 1.8313531957778828
Energy: 1.628919182655826
Energy: 1.5810632238894842
Energy: 2.128668637619899
Energy: 1.5810632238886353
Energy: 1.7790577038905877
Energy: 1.6719781024625355
Energy: 1.636849293110924
Energy: 1.671978102463384
Energy: 1.6085236484852234
Energy: 1.6882363085343535
Energy: 1.7499730839025145
Energy: 1.6882363085343535
Energy: 1.5865160656274548
Energy: 1.8228910732943866
Energy: 1.5752310482446217
Energy: 1.8228910732943866
Energy: 1.5817849879145478
Energy: 1.684601902237671
Energy: 1.5755518109760258
Energy: 1.6846019022410657
Energy: 1.5810568229691422
Energy: 1.5838279921711995
Energy: 1.574264117271036
Energy: 1.5838279921695024
Energy: 1.5902639008522892
Energy: 1.5747548294724054
Energy: 1.6380955464589222
Energy: 1.574754829470708
Energy: 1.6093835622573551
Energy: 1.8831382763644262
Energy: 1.8062770882599994
Energy: 1.8831382763627291
Energy: 2.205346672302016
Energy: 1.5726303194598015
Energy: 1.653254586324814
Energy: 1.5726303194598015
Energy: 1.6085726712678823
Energy: 1.685507433845307
Energy: 1.7818119793273852
Energy: 1.6855074338461555
Energy: 1.598691223803932
Energy: 1.863522598787443
Energy: 1.637993642362476
Energy: 1.863522598784897
Energy: 1.6084430357802575
Energy: 1.8232522179179007
Energy: 1.6398749094612597
Energy: 1.8232522179136574
Energy: 1.609568498964139
Energy: 1.6867879035271705
Energy: 1.5738594083593194
Energy: 1.6867879035254734
Energy: 1.586671642438557
Energy: 1.8205919924023255
Energy: 1.6379703789766822
Energy: 1.8205919924023255
Energy: 1.6281037636583162
Energy: 1.8192233805704727
Energy: 1.7407463894649366
Energy: 1.8192233805713212
Energy: 2.0447152429809887
Energy: 1.6745821100537348
Energy: 1.6304329222164484
Energy: 1.6745821100554321
Energy: 1.586851458831428
Energy: 1.5811221474484225
Energy: 2.070494802198146
Energy: 1.58112214745012
Energy: 1.609992651665606
Energy: 1.6875738491335772
Energy: 1.594801699785098
Energy: 1.6875738491327286
Energy: 1.5863027475163074
Energy: 1.819555988368879
Energy: 1.5750050632217425
Energy: 1.819555988366333
Energy: 1.6297662916912368
Energy: 1.6891614705127653
Energy: 1.5960567246359492
Energy: 1.689161470515311
Energy: 1.6644693014142238
Energy: 1.6846043229489183
Energy: 1.6106766226656317
Energy: 1.6846043229505772
Energy: 1.6419498703842341
Energy: 1.5818729957888187
Energy: 1.7840565649010927
Energy: 1.581872995790516
Energy: 1.5851205593941073
Energy: 1.6336571414534826
Energy: 1.6087587607460172
Energy: 1.6336571414560288
Energy: 1.6419533553418684
Energy: 1.5814048205347242
Energy: 2.0166330956735328
Energy: 1.5814048205347242

minimum gb energy = 1.5726303194598015 eV
minimum distance =  2.23170656664883 Angstroms
sigma value = 29


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

Energy: 1.4820454960213219
Energy: 1.4745962702185325
Energy: 1.9442808703129753
Energy: 1.4745962702185325
Energy: 1.4244568820884023
Energy: 1.4831907214990327
Energy: 1.4798561019344552
Energy: 1.4831907214990327
Energy: 1.5990116419873543
Energy: 1.5505824976344895
Energy: 1.7328837698087127
Energy: 1.5505824976344895
Energy: 1.480035458985716
Energy: 1.4248205342616997
Energy: 1.4801190430881839
Energy: 1.4248205342619955
Energy: 1.4824361886550668
Energy: 1.522895463952692
Energy: 1.7331410832907894
Energy: 1.522895463952692
Energy: 1.475243054191217
Energy: 1.5515252175055425
Energy: 1.4752719200452644
Energy: 1.551525217505838
Energy: 1.475296743026901
Energy: 1.5230356234519227
Energy: 1.4824260652462378
Energy: 1.5230356234519227
Energy: 1.4801741716912207
Energy: 1.4246864347719024
Energy: 1.4797281030934828
Energy: 1.4246864347719024
Energy: 1.7328530099886519
Energy: 1.5505729123527967
Energy: 1.7329021595199057
Energy: 1.5505729123530922

minimum gb energy = 1.4244568820884023 eV
minimum distance =  2.29297320601443 Angstroms
sigma value = 5


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

Energy: 1.4894809041787358
Energy: 1.4945182099709335
Energy: 1.8695176082005602
Energy: 1.494518209972537
Energy: 1.7291031844008993
Energy: 1.5812914357090075
Energy: 1.507071447125042
Energy: 1.5812914357098091
Energy: 1.4617471942136666
Energy: 1.4882027638957722
Energy: 1.764020984710397
Energy: 1.4882027638957722
Energy: 1.509855068782425
Energy: 1.570408854300973
Energy: 1.4670800401884145
Energy: 1.570408854300973
Energy: 1.4869131531527717
Energy: 1.5765665046685713
Energy: 1.7285100981189583
Energy: 1.576566504669373
Energy: 1.586132161304491
Energy: 1.4963748629511753
Energy: 1.4608201770261224
Energy: 1.4963748629519769
Energy: 1.4632244162593593
Energy: 1.5739898513765185
Energy: 1.451165250319038
Energy: 1.5739898513765185
Energy: 1.4572205914847691
Energy: 1.4970228521255926
Energy: 1.4696284080738984
Energy: 1.4970228521231874
Energy: 1.4625094951037367
Energy: 1.5748754746362008
Energy: 1.4942828005754691
Energy: 1.5748754746370024
Energy: 1.462357049431451
Energy: 1.5747588271253314
Energy: 1.5099318312234926
Energy: 1.5747588271253314
Energy: 1.5165623035732247
Energy: 1.571431954864439
Energy: 1.4643682599049355
Energy: 1.5714319548652407
Energy: 1.511826363603388
Energy: 1.479998594407655
Energy: 1.4944094495023381
Energy: 1.4799985944092584
Energy: 1.6594309914771583
Energy: 1.4961047083648036
Energy: 1.4933588181127369
Energy: 1.4961047083656052
Energy: 1.4846982760616667
Energy: 1.4956373175598872
Energy: 1.479440136931854
Energy: 1.4956373175598872
Energy: 1.83041688861105
Energy: 1.568978999303063
Energy: 1.464453917886259
Energy: 1.568978999303063
Energy: 1.46497921274715
Energy: 1.4882138701747307
Energy: 1.8425803250249762
Energy: 1.4882138701755325
Energy: 1.7108980200079504
Energy: 1.4812345514387097
Energy: 1.4880408180756968
Energy: 1.4812345514371066
Energy: 1.4699429899078573
Energy: 1.4953197978873158
Energy: 1.9904874139310906
Energy: 1.4953197978873158
Energy: 1.546732926123051
Energy: 1.5768655066404764
Energy: 1.4575973520500536
Energy: 1.5768655066404764
Energy: 1.4822931172257996
Energy: 1.5911930210640715
Energy: 1.4735475041559496
Energy: 1.5911930210664766
Energy: 1.4785600757246964
Energy: 1.5683284962888189
Energy: 1.4625876238407036
Energy: 1.568328496288017
Energy: 1.5157332209264245
Energy: 1.57476160966403
Energy: 1.463400488698848
Energy: 1.5747616096648318
Energy: 1.5011725520291237
Energy: 1.4962790590587491
Energy: 1.5147473452387148
Energy: 1.4962790590579476
Energy: 1.4938749319733013
Energy: 1.505788402228277
Energy: 1.5083368992560309
Energy: 1.505788402228277
Energy: 1.4935987454802333
Energy: 1.4885284058082262
Energy: 1.468947800324774
Energy: 1.4885284058074246
Energy: 1.5222478158527635
Energy: 1.4947782725753722
Energy: 1.4894327976760453
Energy: 1.4947782725737688
Energy: 1.4670352126025956
Energy: 1.45372469903851
Energy: 1.5568263188134215
Energy: 1.4537246990377084
Energy: 1.8674703600227027
Energy: 1.5815984786849884
Energy: 1.4646958089331619
Energy: 1.5815984786841866
Energy: 1.4765643578689642
Energy: 1.4692927065369548
Energy: 1.7695153849911964
Energy: 1.469292706536153
Energy: 1.9988966096955145
Energy: 1.6396358695100883
Energy: 1.4698163222637453
Energy: 1.6396358695100883
Energy: 1.4590034082792622
Energy: 1.4735526774488723
Energy: 1.74133518934434
Energy: 1.4735526774488723
Energy: 1.7127000552564762
Energy: 1.5743873998157605
Energy: 1.4772261139982552
Energy: 1.5743873998157605
Energy: 1.4679227731843552
Energy: 1.805413631371285
Energy: 1.5103887607193407
Energy: 1.8054136313728884

minimum gb energy = 1.451165250319038 eV
minimum distance =  2.21786843635618 Angstroms
sigma value = 1


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

Energy: 1.5978587817487206
Energy: 1.5989266901269976
Energy: 1.9658688291597817
Energy: 1.5989266901269976
Energy: 1.568337500707654
Energy: 1.5504767343642833
Energy: 1.432224292928735
Energy: 1.5504767343620665
Energy: 1.4161892625902703
Energy: 1.441401380937799
Energy: 1.6915458332013291
Energy: 1.4414013809366903
Energy: 1.455708599218505
Energy: 1.547506343685717
Energy: 1.4317420872465874
Energy: 1.5475063436868253
Energy: 1.4272725302840588
Energy: 1.4414272798526004
Energy: 1.7654467548105248
Energy: 1.4414272798526004
Energy: 1.4035039859926774
Energy: 1.4451116328965572
Energy: 1.4319850018304803
Energy: 1.4451116328976659
Energy: 1.4159364731345283
Energy: 1.5931406004425182
Energy: 1.4347540833621808
Energy: 1.5931406004425182
Energy: 1.4129310907100425
Energy: 1.4449468797575962
Energy: 1.4294268452024133
Energy: 1.4449468797575962
Energy: 1.4408837588247325
Energy: 1.4516653897789726
Energy: 1.45875684397943
Energy: 1.4516653897778642
Energy: 1.4411540189558014
Energy: 1.4526782281281096
Energy: 1.484379741111718
Energy: 1.4526782281270012
Energy: 1.413433811556554
Energy: 1.4450797726632731
Energy: 1.4589506404485921
Energy: 1.4450797726632731
Energy: 1.416688276707977
Energy: 1.5768501222461702
Energy: 1.6403670810036144
Energy: 1.5768501222461702
Energy: 1.4047338905714268
Energy: 1.4446617427988626
Energy: 1.4338032544527817
Energy: 1.4446617427988626
Energy: 1.4289876813546285
Energy: 1.4486013820805541
Energy: 1.441928282482286
Energy: 1.4486013820794457
Energy: 1.5873707871993243
Energy: 1.5436812195860086
Energy: 1.4341258900633707
Energy: 1.5436812195860086
Energy: 1.415960791760084
Energy: 1.4418856498478827
Energy: 1.8107285354219054
Energy: 1.4418856498489914
Energy: 2.0252236174912177
Energy: 1.4717789312301548
Energy: 1.4289840556936069
Energy: 1.4717789312290461
Energy: 1.597858781749829
Energy: 1.5989266901269976
Energy: 1.9658688076548394
Energy: 1.5989266901269976
Energy: 1.568337500708762
Energy: 1.5504767343620665
Energy: 1.432224292928735
Energy: 1.550476734365392
Energy: 1.4161892625902703
Energy: 1.441401380937799
Energy: 1.6915458332013291
Energy: 1.4414013809366903
Energy: 1.455708599218505
Energy: 1.5475063436846084
Energy: 1.4317420872465874
Energy: 1.5475063436879337
Energy: 1.427272530285167
Energy: 1.4414272798526004
Energy: 1.7654467548105248
Energy: 1.4414272798514924
Energy: 1.403503985993786
Energy: 1.4451116328965572
Energy: 1.4319850018304803
Energy: 1.4451116328976659
Energy: 1.4159364731345283
Energy: 1.5931406004436266
Energy: 1.4347540833632895
Energy: 1.5931406004436266

minimum gb energy = 1.4035039859926774 eV
minimum distance =  2.23946732812385 Angstroms
sigma value = 17


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

Energy: 1.4340117423696108
Energy: 1.4348536248803254
Energy: 1.8326816032522428
Energy: 1.43485362487827
Energy: 1.6315705455976883
Energy: 1.4231163309874653
Energy: 1.407374792880823
Energy: 1.4231163309874653
Energy: 1.4040587049191366
Energy: 1.4195413661649756
Energy: 1.7569435607950785
Energy: 1.4195413661636052
Energy: 1.5693878260515897
Energy: 1.6964514077466049
Energy: 1.4016987760666417
Energy: 1.6964514077452348
Energy: 1.4052150705829733
Energy: 1.4348449761662032
Energy: 1.8096499717857761
Energy: 1.4348449761668887
Energy: 1.444032637037694
Energy: 1.9106529887658468
Energy: 1.4169888366438417
Energy: 1.9106529887644768
Energy: 1.4343870307150157
Energy: 1.5046945476438438
Energy: 1.4192608517143281
Energy: 1.5046945476431584
Energy: 1.4300745966867277
Energy: 1.7154450614706986
Energy: 1.4014352630347726
Energy: 1.7154450614706986
Energy: 1.4349538577613967
Energy: 1.7155800356196795
Energy: 1.4811978731876512
Energy: 1.715580035620365
Energy: 1.4200443670446141
Energy: 1.7146473871479484
Energy: 1.416517688422769
Energy: 1.7146473871479484
Energy: 1.3959906339601023
Energy: 1.6919112793994884
Energy: 1.4112934805666943
Energy: 1.6919112793988031
Energy: 1.394728691318481
Energy: 1.499779926859795
Energy: 1.3939425875057347
Energy: 1.4997799268611651
Energy: 1.4381518183261957
Energy: 1.7073003026711941
Energy: 1.405711630819461
Energy: 1.7073003026725642
Energy: 1.4351244729163823
Energy: 1.5237961113811063
Energy: 1.433261927913696
Energy: 1.5237961113804215
Energy: 1.4270052943803535
Energy: 1.6995582629299706
Energy: 1.4466107097220697
Energy: 1.6995582629313406
Energy: 1.4108826970757653
Energy: 1.420635297070751
Energy: 1.777336956411668
Energy: 1.420635297072121
Energy: 1.469744153922811
Energy: 1.7003758760542156
Energy: 1.4056830934573081
Energy: 1.7003758760555856
Energy: 1.3955846590748497
Energy: 1.5657088026250725
Energy: 1.7039196130848613
Energy: 1.5657088026250725
Energy: 1.63045476187303
Energy: 1.6959918925086188
Energy: 1.4068956526780878
Energy: 1.6959918925093038
Energy: 1.410838364578961
Energy: 1.4197400174542099
Energy: 1.573921285617779
Energy: 1.419740017453525
Energy: 1.506635233917411
Energy: 1.4130836836940701
Energy: 1.43162213054841
Energy: 1.4130836836940701
Energy: 1.4321493972358958
Energy: 1.5668625352450378
Energy: 1.5093354792702527
Energy: 1.5668625352443524
Energy: 1.6341382007988712
Energy: 1.7078300877524848
Energy: 1.413205288341468
Energy: 1.7078300877504298
Energy: 1.4074150747265626
Energy: 1.4132764839497949
Energy: 1.6317942777439118
Energy: 1.4132764839360932
Energy: 1.4994987067141052
Energy: 1.5652322920138306
Energy: 1.398057356390739
Energy: 1.5652322920124606
Energy: 1.4088286350200305
Energy: 1.5256930929221046
Energy: 1.4722972664527003
Energy: 1.5256930929221046
Energy: 1.6202531997408216
Energy: 1.4892330682301025
Energy: 1.4136455749599353
Energy: 1.4892330682328427
Energy: 1.444863103727947
Energy: 1.6991931079583216
Energy: 1.426913928614244
Energy: 1.6991931079576368
Energy: 1.4330604423826603
Energy: 1.5230382616412592
Energy: 1.4291238378224773
Energy: 1.5230382616412592
Energy: 1.405624119154728
Energy: 1.7053447690433219
Energy: 1.4935987235796808
Energy: 1.7053447690426367
Energy: 1.3936511287537805
Energy: 1.5228246591143497
Energy: 1.3949567236425697
Energy: 1.5228246591143497
Energy: 1.4091680947577
Energy: 1.6951245645275808
Energy: 1.4050747246597726
Energy: 1.695124564528266
Energy: 1.4137743777287686
Energy: 1.49594453146993
Energy: 1.6322188287571453
Energy: 1.4959445314678745
Energy: 1.484876232520181
Energy: 1.7202910083350942
Energy: 1.4200479607793135
Energy: 1.7202910083357792
Energy: 1.3990931643394446
Energy: 1.4357748868768083
Energy: 1.4707033560724836
Energy: 1.4357748868768083
Energy: 1.4190710839197311
Energy: 1.5074884919427964
Energy: 1.432445933402125
Energy: 1.5074884919421112
Energy: 1.4131550773994646
Energy: 1.908395201718196
Energy: 1.4295738912788045
Energy: 1.908395201718196
Energy: 1.8057856682545732
Energy: 1.5262919725779227
Energy: 1.4109365705641077
Energy: 1.5262919725765522

minimum gb energy = 1.3936511287537805 eV
minimum distance =  2.23553833518635 Angstroms
sigma value = 89


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

Energy: 1.2778433446944055
Energy: 1.2779944878443232
Energy: 2.07844601511694
Energy: 1.2779944878443232
Energy: 1.27832543364813
Energy: 1.3159074339688168
Energy: 1.3008953808158188
Energy: 1.3159074339688168
Energy: 1.2971842079364173
Energy: 1.3763771329143335
Energy: 2.206959801654641
Energy: 1.3763771329143335
Energy: 1.3217358275742574
Energy: 1.3162988283249435
Energy: 1.3005002028943011
Energy: 1.3162988283249435
Energy: 1.2967111133936915
Energy: 1.41014974116816
Energy: 2.1242801021039153
Energy: 1.41014974116816
Energy: 1.2968132155077594
Energy: 1.2787739572446208
Energy: 1.2774780445710487
Energy: 1.2787739572446208
Energy: 1.2974163402810095
Energy: 1.5096316041696782
Energy: 1.2779434146553805
Energy: 1.5096316041696782
Energy: 1.3187076233091783
Energy: 1.5090203179642305
Energy: 1.3010873928027005
Energy: 1.5090203179624382
Energy: 1.2968072657742789
Energy: 1.409845341293877
Energy: 1.283625727804853
Energy: 1.409845341293877
Energy: 1.315387020258088
Energy: 1.278954801311513
Energy: 1.2966707068964838
Energy: 1.2789548013097205
Energy: 1.2776328269185102
Energy: 1.316782056957431
Energy: 1.2966617066300459
Energy: 1.316782056957431
Energy: 1.2777523377295432
Energy: 1.510559547155489
Energy: 1.300686228076045
Energy: 1.510559547155489
Energy: 1.2966786391350809
Energy: 1.28009469299441
Energy: 1.3156001215102655
Energy: 1.28009469299441
Energy: 1.2968711294908344
Energy: 1.4089773935511019
Energy: 1.2968527653891795
Energy: 1.4089773935511019
Energy: 1.283575129603769
Energy: 1.2800637486286521
Energy: 1.2966784621875693
Energy: 1.2800637486286521

minimum gb energy = 1.2774780445710487 eV
minimum distance =  2.2556972981482 Angstroms
sigma value = 13


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

Energy: 1.284753738338603
Energy: 1.2515373276576498
Energy: 1.727873933052036
Energy: 1.251537327659904
Energy: 1.4916344773158345
Energy: 1.645727981254536
Energy: 1.244450463675376
Energy: 1.6457279812560388
Energy: 1.2528991453806686
Energy: 1.4369630474410473
Energy: 1.930491460067989
Energy: 1.4369630464099519
Energy: 1.2456519396099541
Energy: 1.466746631512222
Energy: 1.2423684652027769
Energy: 1.4667466315069624
Energy: 1.259541314237299
Energy: 1.528652072791826
Energy: 1.3331445929423065
Energy: 1.528652072790323
Energy: 1.2436007289923632
Energy: 1.2845582548699888
Energy: 1.2586904007400521
Energy: 1.2845582548677348
Energy: 1.2596312104933434
Energy: 1.4508840051224918
Energy: 1.6174952832672205
Energy: 1.4508840051209888
Energy: 1.2483027322140745
Energy: 1.4680783013970136
Energy: 1.2588284270180337
Energy: 1.468078301393257
Energy: 1.2609181010999675
Energy: 1.3489917613288143
Energy: 1.4745541930754957
Energy: 1.3489917613265603
Energy: 1.4801605331741188
Energy: 1.5490955879760877
Energy: 1.242429782844642
Energy: 1.5490955879760877
Energy: 1.2604135294198922
Energy: 1.3708682962333403
Energy: 1.2437481047472003
Energy: 1.3708682962310863
Energy: 1.6122168024945294
Energy: 1.548789547222246
Energy: 1.2504758895585162
Energy: 1.548789547222997
Energy: 1.2938784109330121
Energy: 1.2663879191336715
Energy: 1.258395321711985
Energy: 1.2663879191306664
Energy: 1.6246805226598524
Energy: 1.3707925312375706
Energy: 1.2504767049628678
Energy: 1.3707925312368194
Energy: 1.2604160228959236
Energy: 1.2492142911422695
Energy: 1.252963362576643
Energy: 1.2492142911422695
Energy: 1.2412326357657961
Energy: 1.3707921117831208
Energy: 1.2394632613107808
Energy: 1.3707921117838722
Energy: 1.2568482427063774
Energy: 1.336489522124366
Energy: 1.2389056364807283
Energy: 1.3364895221251174
Energy: 1.2800774216060935
Energy: 1.3455852474640362
Energy: 1.2542166824799217
Energy: 1.3455852474677925
Energy: 1.2571900705388692
Energy: 1.2678867872518997
Energy: 1.2543774192834074
Energy: 1.2678867872518997
Energy: 1.2567971909259903
Energy: 1.2680060069104453
Energy: 1.254355786766994
Energy: 1.2680060069089427
Energy: 1.2805020554089435
Energy: 1.3454779726046562
Energy: 1.2544274627282936
Energy: 1.3454779726099158
Energy: 1.2567083406896733
Energy: 1.3364931355337324
Energy: 1.2389479328283008
Energy: 1.3364931355337324
Energy: 1.2410793479897406
Energy: 1.3705934467976215
Energy: 1.2393058877483145
Energy: 1.3705934468028809
Energy: 1.2603786467902667
Energy: 1.2492184620817466
Energy: 1.255320631833372
Energy: 1.2492184620832492
Energy: 1.6248947336855106
Energy: 1.599473277523979
Energy: 1.2513595049032276
Energy: 1.599473277525482
Energy: 1.2944732753454413
Energy: 1.2664918961321239
Energy: 1.2561391584052595
Energy: 1.26649189612987
Energy: 1.6119109400492846
Energy: 1.548929912640151
Energy: 1.2509693648185423
Energy: 1.5489299126416536
Energy: 1.2597630983561703
Energy: 1.3710166804740118
Energy: 1.2428291670009994
Energy: 1.3710166804770172
Energy: 1.480093859864429
Energy: 1.5485788644199656
Energy: 1.2421040284674827
Energy: 1.5485788644192144
Energy: 1.2599293036704704
Energy: 1.348786180155374
Energy: 1.693644084521016
Energy: 1.3487861802079668
Energy: 1.2478030891195497
Energy: 1.4669664882562545
Energy: 1.2587945068704924
Energy: 1.4669664882562545
Energy: 1.2598499276805806
Energy: 1.4508023123167533
Energy: 1.8019689234844838
Energy: 1.450802312317505
Energy: 1.2439953931506302
Energy: 1.2823031203094113
Energy: 1.2587781597438357
Energy: 1.282303120311665
Energy: 1.2598855284997386
Energy: 1.5285940620641867
Energy: 1.3195932957888714
Energy: 1.5285940620664409
Energy: 1.2459788532890836
Energy: 1.467505462518261
Energy: 1.2423707073502057
Energy: 1.4675054625235204

minimum gb energy = 1.2389056364807283 eV
minimum distance =  2.23426340178276 Angstroms
sigma value = 37


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

Energy: 1.3588608155348134
Energy: 1.3585589499256403
Energy: 1.1878037369274332
Energy: 1.3585589499256403
Energy: 1.4483184036928967
Energy: 1.5930313794229645
Energy: 1.159734301545824
Energy: 1.5930313794216717
Energy: 1.180471278347042
Energy: 1.6296255285863692
Energy: 1.56982089760617
Energy: 1.6296255285876617
Energy: 1.301415309306404
Energy: 1.3450398295671182
Energy: 1.1604081628939242
Energy: 1.3450398295684107
Energy: 1.159239332489049
Energy: 1.184757334774673
Energy: 1.3012209671415425
Energy: 1.184757334774673
Energy: 1.1974744602403666
Energy: 1.7531861178081736
Energy: 1.304485190262136
Energy: 1.7531861178081736
Energy: 1.1751897755789227
Energy: 1.933874033476325
Energy: 1.6350650684767631
Energy: 1.933874033476325
Energy: 1.1428477082421806
Energy: 1.1858037407491426
Energy: 1.190021729436742
Energy: 1.1858037407491426
Energy: 1.1605838327179019
Energy: 1.592445591531638
Energy: 1.4666799981667276
Energy: 1.5924455915329305
Energy: 1.5691789376880445
Energy: 1.6304625885334836
Energy: 1.3033824927737427
Energy: 1.6304625885334836
Energy: 1.1584424837744052
Energy: 1.8350424685162094
Energy: 1.3012302352274685
Energy: 1.835042468514917
Energy: 1.5446037191581616
Energy: 1.1852903415080487
Energy: 1.1603377235588404
Energy: 1.1852903415080487
Energy: 1.3007352325770236
Energy: 1.5925314820506657
Energy: 1.3651658746533468
Energy: 1.5925314820506657
Energy: 1.6371487585014846
Energy: 1.93513730456861
Energy: 1.1426825891524575
Energy: 1.9351373045673173
Energy: 1.3577326199254867
Energy: 1.3928970250337323
Energy: 1.1427526181758394
Energy: 1.3928970250337323
Energy: 1.357992734020827
Energy: 1.5931220562871435
Energy: 1.1596657208439611
Energy: 1.5931220562858508
Energy: 1.3006299789691411
Energy: 1.3301561115732303
Energy: 1.1607200715014032
Energy: 1.3301561115732303
Energy: 1.3007658513597282
Energy: 1.8360475638767866
Energy: 1.158390941971894
Energy: 1.8360475638754938
Energy: 1.1584187060065836
Energy: 1.1866675268490123
Energy: 1.1585317179581773
Energy: 1.1866675268490123
Energy: 1.1587092965500276
Energy: 1.5929826636123923
Energy: 1.3007826057810699
Energy: 1.5929826636136848

minimum gb energy = 1.1426825891524575 eV
minimum distance =  2.2295673126949 Angstroms
sigma value = 25


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

Energy: 1.2346467841290139
Energy: 1.7571135211185382
Energy: 1.0540643779618775
Energy: 1.7571135211195474
Energy: 1.4833021698528435
Energy: 1.2984291517120414
Energy: 1.0474677299806923
Energy: 1.2984291517110318
Energy: 1.170438692949119
Energy: 1.1708690996507172
Energy: 1.3571730249858294
Energy: 1.1708690996497075
Energy: 1.251855590900459
Energy: 1.4402826069834938
Energy: 1.0556236840137019
Energy: 1.440282606982484
Energy: 1.0642238573828293
Energy: 1.2987449537809783
Energy: 1.1372251733485608
Energy: 1.2987449537819877
Energy: 1.1451884410996391
Energy: 1.2942773555884182
Energy: 1.0655836186961911
Energy: 1.2942773555894274
Energy: 1.0504271153105804
Energy: 1.0440489552366985
Energy: 1.2526377333265732
Energy: 1.0440489552366985
Energy: 1.0368358029364027
Energy: 1.4485427490160654
Energy: 1.1727350456914725
Energy: 1.4485427490160654
Energy: 1.0503761003132115
Energy: 1.2987644109011838
Energy: 1.6287405022939219
Energy: 1.2987644109032024
Energy: 1.023771253672021
Energy: 1.2807645969643007
Energy: 1.105340694410731
Energy: 1.2807645969653103
Energy: 1.0503124466825695
Energy: 1.044202111478385
Energy: 1.5333478801586733
Energy: 1.0442021114793942
Energy: 1.3585107374204417
Energy: 1.5998957453513327
Energy: 1.172903644086059
Energy: 1.5998957453513327
Energy: 1.0579127892028148
Energy: 1.210110168941916
Energy: 1.40672327903165
Energy: 1.2101101689409068
Energy: 1.3475278238158193
Energy: 1.391357266916447
Energy: 1.065953882232373
Energy: 1.3913572669174563
Energy: 1.0647263698026248
Energy: 1.041259396404398
Energy: 1.1440147590246805
Energy: 1.0412593964033887
Energy: 1.4425011332161102
Energy: 1.7074741850375121
Energy: 1.0491654401098676
Energy: 1.707474185036503
Energy: 1.1756203399877083
Energy: 1.4483069337797254
Energy: 1.0253731847251855
Energy: 1.4483069337777064
Energy: 1.4279798619320057
Energy: 1.1886253857885174
Energy: 1.0477065369231837
Energy: 1.1886253857885174
Energy: 1.2337482268262387
Energy: 1.0618018627187682
Energy: 1.0240950869416026
Energy: 1.0618018627197778
Energy: 1.675072017601885
Energy: 1.7066312216272048
Energy: 1.0489758242153735
Energy: 1.7066312216272048
Energy: 1.1755871042552393
Energy: 1.7059273176682812
Energy: 1.0375861250094363
Energy: 1.7059273176672718
Energy: 1.1703513499854319
Energy: 1.440618569412398
Energy: 1.0594769458737088
Energy: 1.440618569412398
Energy: 1.064553936102836
Energy: 1.425281272827655
Energy: 1.3493793901312847
Energy: 1.4252812728286643
Energy: 1.1438351989995688
Energy: 1.7698919742103103
Energy: 1.0646126541738363
Energy: 1.7698919742103103
Energy: 1.0478714700121772
Energy: 1.7068839168970567
Energy: 1.442691788392412
Energy: 1.7068839168960475
Energy: 1.0310586911567667
Energy: 1.3304701747888714
Energy: 1.170179718123037
Energy: 1.3304701747888714

minimum gb energy = 1.023771253672021 eV
minimum distance =  2.24095897040414 Angstroms
sigma value = 41


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

Energy: 1.3499150511213502
Energy: 1.3508276665725782
Energy: 0.9560150454397378
Energy: 1.3508276665725782
Energy: 1.4173750985426496
Energy: 1.145385046009146
Energy: 0.9446127807948596
Energy: 1.1453850460083184
Energy: 0.972402288443924
Energy: 0.9421832337184589
Energy: 1.7182069998711913
Energy: 0.9421832337192865
Energy: 1.2140227280389364
Energy: 1.339570283026104
Energy: 0.9443292389762737
Energy: 1.3395702830252765
Energy: 0.9379951719413339
Energy: 1.3708096739305342
Energy: 1.0175677055865506
Energy: 1.3708096739305342
Energy: 1.010669742285542
Energy: 1.1445127517857447
Energy: 0.9444715745526586
Energy: 1.1445127517865723
Energy: 0.9430777827126078
Energy: 1.14511431837478
Energy: 1.01089080379508
Energy: 1.1451143183764352
Energy: 0.9268847695948037
Energy: 1.1644672018139464
Energy: 0.9393876400728106
Energy: 1.1644672018139464
Energy: 0.9480062183602107
Energy: 1.5232367098890738
Energy: 1.3156785481593782
Energy: 1.5232367098899013
Energy: 0.9292625673293335
Energy: 1.1360873100407627
Energy: 0.9737138171415657
Energy: 1.1360873100449003
Energy: 0.9432822773180394
Energy: 1.14789019236694
Energy: 1.5403076043719102
Energy: 1.1478901923818354
Energy: 0.9309126465489798
Energy: 1.3512702888765689
Energy: 1.3511274608666413
Energy: 1.3512702888773962
Energy: 0.9480795134109721
Energy: 1.5238338005818164
Energy: 1.66245364609532
Energy: 1.5238338005826437
Energy: 1.2037138085844172
Energy: 1.356077541066807
Energy: 0.9735222536761934
Energy: 1.356077541065152
Energy: 0.9433399222610148
Energy: 1.147854484908267
Energy: 1.3451369819251027
Energy: 1.1478544849107495
Energy: 1.1951170066615053
Energy: 1.3879802420065708
Energy: 0.9394545898816922
Energy: 1.387980242009881
Energy: 0.9478694315359443
Energy: 1.5236548144683528
Energy: 1.2481030092581176
Energy: 1.5236548144691802
Energy: 1.1887830301248843
Energy: 1.3563627278987938
Energy: 0.9444957603344223
Energy: 1.356362727899621
Energy: 0.9435017647362884
Energy: 1.16282095072208
Energy: 0.9263443378164836
Energy: 1.1628209507262177
Energy: 1.1795502259637711
Energy: 1.3560494944425336
Energy: 0.9480347819085225
Energy: 1.3560494944408787
Energy: 0.9773814335162597
Energy: 1.5243207233991936
Energy: 0.9302880110486506
Energy: 1.5243207233983662
Energy: 1.5407596365014076
Energy: 1.6858642295965696
Energy: 0.9446477241577226
Energy: 1.685864229595742
Energy: 1.3550685795301467
Energy: 1.3527004729517298
Energy: 0.9308837901103051
Energy: 1.3527004729517298
Energy: 1.350262587751929
Energy: 1.5236991628062289
Energy: 0.9482246689426448
Energy: 1.5236991628054013
Energy: 0.9773277021263607
Energy: 1.3360313417285214
Energy: 0.9354074914732308
Energy: 1.3360313417285214
Energy: 1.332507850124087
Energy: 1.6785175025532646
Energy: 0.9444683576821328
Energy: 1.6785175025532646
Energy: 0.9432475073726732
Energy: 1.5275661802391318
Energy: 1.195031875712838
Energy: 1.5275661802391318
Energy: 0.9384702850923364
Energy: 1.5242279177289957
Energy: 0.9481203930827984
Energy: 1.5242279177289957
Energy: 0.9483518011312356
Energy: 1.3365130940913095
Energy: 1.1890027016714981
Energy: 1.3365130940913095
Energy: 0.9259566006832884
Energy: 1.5672062004089833
Energy: 0.9494122411820193
Energy: 1.5672062004089833
Energy: 0.9437474724742483
Energy: 1.3572463277556235
Energy: 1.179221079813891
Energy: 1.3572463277556235
Energy: 0.930821785883604
Energy: 1.5251804173500783
Energy: 0.9829874748119597
Energy: 1.525180417350906

minimum gb energy = 0.9259566006832884 eV
minimum distance =  2.23308535471059 Angstroms
sigma value = 15


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

Energy: 1.2271378621922198
Energy: 1.5083430549881232
Energy: 1.6981873079793763
Energy: 1.5083430549888242
Energy: 1.5610448169059215
Energy: 1.3635986852535593
Energy: 0.8840437226719307
Energy: 1.3635986852521575
Energy: 0.9136874968778895
Energy: 1.2060942773406589
Energy: 1.616690365747349
Energy: 1.2060942773420609
Energy: 1.3748896061445797
Energy: 1.3689084391257336
Energy: 0.8838792125739556
Energy: 1.3689084391264348
Energy: 0.8798088154691763
Energy: 1.5154113319468174
Energy: 0.8605291187211501
Energy: 1.5154113319475184
Energy: 1.0936439171527756
Energy: 1.3649050547697341
Energy: 0.8840209277690853
Energy: 1.3649050547683321
Energy: 0.883051612427474
Energy: 1.216328934103014
Energy: 0.9226211994716573
Energy: 1.216328934103014
Energy: 0.9227486843343709
Energy: 1.218659490312289
Energy: 0.8839754756382364
Energy: 1.218659490312289
Energy: 0.8864135871812607
Energy: 1.5253606762132994
Energy: 1.0929548241526836
Energy: 1.5253606762132994
Energy: 0.8535011316609905
Energy: 1.3661789836714693
Energy: 0.8808283558887532
Energy: 1.36617898367217
Energy: 0.8832175900122051
Energy: 1.3631514074761373
Energy: 1.527710595149723
Energy: 1.363151407474735
Energy: 0.8565613187660163
Energy: 1.206176319317121
Energy: 0.9146254938487705
Energy: 1.206176319288379
Energy: 0.886282086525005
Energy: 1.5195651931896539
Energy: 1.5327569879553566
Energy: 1.5195651931896539
Energy: 0.8569337754943795
Energy: 1.5089237270262037
Energy: 1.2275639833792944
Energy: 1.5089237270248017
Energy: 0.8831555235009106
Energy: 1.3633534373802778
Energy: 1.5559534372916901
Energy: 1.3633534373795764
Energy: 1.0858878002416914
Energy: 1.2056401795327483
Energy: 0.9145419416208037
Energy: 1.2056401795313463
Energy: 0.886336366708884
Energy: 1.519398856770197
Energy: 1.4760393812080868
Energy: 1.5193988567694963
Energy: 1.0817427451619341
Energy: 1.5142928838481005
Energy: 0.8807679190565925
Energy: 1.5142928838473997
Energy: 0.8832993804351597
Energy: 1.365141076935394
Energy: 1.2037918748429304
Energy: 1.3651410769346926
Energy: 1.077472607934941
Energy: 1.0500509703902212
Energy: 0.883926492756362
Energy: 1.0500509703909224
Energy: 0.8865427920399959
Energy: 1.3924357579088213
Energy: 1.1226344223087217
Energy: 1.3924357579081201
Energy: 1.0799298410718934
Energy: 1.37846997229271
Energy: 0.890279417174443
Energy: 1.37846997229271
Energy: 0.8832914658442169
Energy: 1.0470266741155505
Energy: 0.8537937127476791
Energy: 1.0470266741400864
Energy: 1.4106590067406681
Energy: 1.0475729186082554
Energy: 0.8840792246686147
Energy: 1.0475729186061524
Energy: 0.9169241494994416
Energy: 1.3923828330988612
Energy: 0.857749382209774
Energy: 1.392382833100263
Energy: 1.3946799622749404
Energy: 1.522646842421979
Energy: 0.8902726745410044
Energy: 1.522646842421979
Energy: 1.2301177152330394
Energy: 1.5061303791196945
Energy: 0.8572495287735478
Energy: 1.5061303791203955
Energy: 1.5510160695342416
Energy: 1.3635713315113194
Energy: 0.884072281594143
Energy: 1.3635713315113194
Energy: 0.9168783650055531
Energy: 1.5472534041141417
Energy: 0.8631442038448207
Energy: 1.5472534041141417
Energy: 1.2035964685541913
Energy: 1.5230074038394248
Energy: 0.890247195107597
Energy: 1.5230074038394248
Energy: 0.8832248163279729
Energy: 1.5087264648488716
Energy: 1.0815340918732224
Energy: 1.5087264648488716
Energy: 1.192806807654237
Energy: 1.36685191709417
Energy: 0.8840825512353668
Energy: 1.3668519170948712
Energy: 0.8863523609609987
Energy: 1.539355610879989
Energy: 1.0771015666918269
Energy: 1.539355610879989
Energy: 0.8603960816312927
Energy: 1.3936969795136105
Energy: 0.8901672119066513
Energy: 1.3936969795136105
Energy: 0.8769539900607051
Energy: 1.5081279348020518
Energy: 1.0793824055179413
Energy: 1.5081279348034538
Energy: 0.8532235982554273
Energy: 1.0458042982382565
Energy: 0.8872134134302355
Energy: 1.0458042982368545
Energy: 0.8866034514299554
Energy: 1.539345573041162
Energy: 1.4099025055592114
Energy: 1.539345573041162

minimum gb energy = 0.8532235982554273 eV
minimum distance =  2.26799718336967 Angstroms
sigma value = 85


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

Energy: 1.1563726847937226
Energy: 1.411421138832833
Energy: 1.06850996850609
Energy: 1.411421138832225
Energy: 1.6641366964859856
Energy: 1.2690363749018159
Energy: 0.8112191789873952
Energy: 1.2690363749018159
Energy: 1.1092072608585324
Energy: 1.1104819487707203
Energy: 1.068389527957146
Energy: 1.1104819487707203
Energy: 1.3834682827790623
Energy: 0.9799032044436644
Energy: 0.8108633729892464
Energy: 0.9799032044436644
Energy: 0.8502574636034753
Energy: 1.077796807596887
Energy: 0.7707662675901985
Energy: 1.077796807596887
Energy: 1.2300424967873724
Energy: 0.9840280011464739
Energy: 0.8108903761209129
Energy: 0.98402800114769
Energy: 0.8069469838576395
Energy: 1.1317352270684928
Energy: 0.8909567643854225
Energy: 1.1317352270678847
Energy: 1.0723787615182565
Energy: 1.268814509116277
Energy: 0.8109424204900498
Energy: 1.268814509116885
Energy: 0.8101259848552578
Energy: 1.0922298364358924
Energy: 1.037891930248037
Energy: 1.0922298364365004
Energy: 0.9282919858424771
Energy: 1.1317202613272757
Energy: 0.8078433886039474
Energy: 1.1317202613272757
Energy: 0.8105981098664296
Energy: 0.9836932665372221
Energy: 1.1843563685208047
Energy: 0.9836932665372221
Energy: 0.7715699145734647
Energy: 0.9805964886410435
Energy: 0.8511584417868174
Energy: 0.9805964886392194
Energy: 0.8104967835147917
Energy: 1.0926113762862593
Energy: 1.398183007322919
Energy: 1.0926113762868674
Energy: 0.7744032615298329
Energy: 1.110065408694714
Energy: 1.110274051749392
Energy: 1.110065408694714
Energy: 0.8105906453478477
Energy: 1.2686912523537375
Energy: 1.520146223039234
Energy: 1.2686912523537375
Energy: 0.7734758746485173
Energy: 1.4118456697826296
Energy: 1.1572123890480288
Energy: 1.4118456697826296
Energy: 0.8102545639646195
Energy: 1.0927164997581582
Energy: 1.52140104471449
Energy: 1.0927164997563619
Energy: 0.9776574375574155
Energy: 1.1100893046340985
Energy: 1.1102718922092039
Energy: 1.1100893046347065
Energy: 0.810620567136989
Energy: 1.26853486767007
Energy: 1.383143454903207
Energy: 1.26853486767007
Energy: 0.9683043072660414
Energy: 1.4365177646093348
Energy: 0.8509792998084108
Energy: 1.4365177646093348
Energy: 0.8102045210003053
Energy: 1.093885307113413
Energy: 1.2297326933865882
Energy: 1.093885307113413
Energy: 0.9664202548957411
Energy: 1.1359281264642138
Energy: 0.8078801378188308
Energy: 1.1359281264642138
Energy: 0.8104246936564476
Energy: 1.2688838203943298
Energy: 1.0729927168699374
Energy: 1.2688838203943298
Energy: 0.9722471649170282
Energy: 1.0056461641834251
Energy: 0.8109251149505095
Energy: 1.0056461625711097
Energy: 0.8103544636683851
Energy: 0.9798841137923817
Energy: 0.9258316542704359
Energy: 0.9798841137923817
Energy: 1.262461027858741
Energy: 1.1103224879165592
Energy: 0.8118682268825135
Energy: 1.1103224879159515
Energy: 0.8532902157421884
Energy: 0.9802606672827818
Energy: 0.7712421825911292
Energy: 0.9802606672821738
Energy: 1.2572850467627663
Energy: 1.4325719341606535
Energy: 0.8102578252010095
Energy: 1.4325719341606535
Energy: 1.1125254110087324
Energy: 1.110504680538836
Energy: 0.774573078418044
Energy: 1.110504680539444
Energy: 1.5212302126707613
Energy: 1.2683967238423037
Energy: 0.8119172480244662
Energy: 1.2683967238423037
Energy: 1.1594111585937672
Energy: 1.4129045424664286
Energy: 0.7738942079725998
Energy: 1.4129045424670366
Energy: 1.4064227982144473
Energy: 1.4324927789785435
Energy: 0.8110888419642062
Energy: 1.4324927789779354
Energy: 1.112779938039629
Energy: 1.1102257710630457
Energy: 0.7843031383124621
Energy: 1.1102257710630457
Energy: 1.3836179506742983
Energy: 1.2684791485199267
Energy: 0.8100666475332376
Energy: 1.2684791485193188
Energy: 0.8536287274055598
Energy: 1.4371960223492466
Energy: 0.9686615191633814
Energy: 1.4371960223498543
Energy: 1.0781746538392456
Energy: 1.425681978923691
Energy: 0.8111462033570096
Energy: 1.425681978923691
Energy: 0.8105287610018607
Energy: 1.1098361790483233
Energy: 0.9658529944796689
Energy: 1.1098361790501474
Energy: 1.064486696100214
Energy: 1.110150417410357
Energy: 0.8118190503090157
Energy: 1.1101504174091408
Energy: 0.8104938823248226
Energy: 1.3992775687378562
Energy: 0.9723099071668179
Energy: 1.3992775687378562
Energy: 0.780119034737345
Energy: 1.3194607803532852
Energy: 0.807116702701984
Energy: 1.3194607803532852
Energy: 0.810179315759183
Energy: 1.1103881084587308
Energy: 1.2620944759106099
Energy: 1.1103881084587308
Energy: 0.7709135955206015
Energy: 0.9798194508642798
Energy: 0.8502514590213859
Energy: 0.9798194508636717
Energy: 0.8106473772949235
Energy: 1.3995594613547013
Energy: 1.2568960496738613
Energy: 1.3995594613547013

minimum gb energy = 0.7707662675901985 eV
minimum distance =  2.25678072316504 Angstroms
sigma value = 113


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

Energy: 0.020524471604468828
Energy: 0.021438364582929883
Energy: 1.2239757045017383
Energy: 0.021438364583864684
Energy: 1.222914129077671
Energy: 0.4553881493519235
Energy: 0.45468901705153025
Energy: 0.4553881493519235
Energy: 0.020524471604468828
Energy: 0.021438364582929883
Energy: 1.2236537870733732
Energy: 0.021438364583864684
Energy: 1.222914129077671
Energy: 0.4553881493514561
Energy: 0.4546890169519217
Energy: 0.4553881493514561
Energy: 0.020524471604001424
Energy: 0.021438364583397283
Energy: 1.2236462985525807
Energy: 0.021438364583864684
Energy: 1.222914129077671
Energy: 0.4553881493514561
Energy: 0.4546890171940358
Energy: 0.4553881493519235

minimum gb energy = 0.020524471604001424 eV
minimum distance =  2.48492838952636 Angstroms
sigma value = 1