Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003Potential5_Fe__MO_942420706858_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6582963466644287
cohesive_energy=4.015220655245625
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01514784352766877
Energy: 0.016211173881401763
Energy: 0.0160462595657495
Energy: 0.016211173880823333
Energy: 0.016211173882014224
Energy: 1.166565879949051
Energy: 0.016211173880210872
Energy: 1.1665658799484384
Energy: 0.01604625956455861
Energy: 0.016211173881401763
Energy: 0.015147843527056311
Energy: 0.016211173881401763
Energy: 0.016211173882014224
Energy: 1.1665658799484384
Energy: 0.016211173880823333
Energy: 1.1665658799484384

minimum gb energy = 0.015147843527056311 eV
minimum distance =  2.51743081288337 Angstroms
sigma value = 1


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

Energy: 0.6994105060482833
Energy: 0.8646807351767911
Energy: 0.4278846420768774
Energy: 0.8646807351745627
Energy: 0.6578923424274883
Energy: 0.7627372457302439
Energy: -2.580527134686804
Energy: 0.7627372457302439
Energy: 0.5066711560129461
Energy: 0.8359945057048352
Energy: -2.2919005831707637
Energy: 0.835994505705578
Energy: 0.5828382867237273
Energy: 0.7957506904779988
Energy: 0.6450758558695501
Energy: 0.7957506904802273
Energy: 0.5615015879282834
Energy: 0.8671068251785464
Energy: 0.5780815755239128
Energy: 0.8671068251785464
Energy: 0.589145707326258
Energy: 1.0213105592375384
Energy: 0.5258824950945289
Energy: 1.021310559239024
Energy: 0.649947727804559
Energy: 0.8398733218330424
Energy: 0.5898154646489571
Energy: 0.8398733218322996
Energy: 0.4668493528253619
Energy: 0.8676704243541491
Energy: 0.4935606013333629
Energy: 0.8676704243541491
Energy: 0.645287991882254
Energy: 0.9240095084675826
Energy: 0.6224209516846969
Energy: 0.9240095084668397
Energy: 0.5182574659892717
Energy: 0.836156547238622
Energy: 0.4222288298221758
Energy: 0.836156547238622
Energy: -2.3197099633171625
Energy: 0.7592172003766513
Energy: 0.6451546118297857
Energy: 0.7592172003759087
Energy: 0.464641559427006
Energy: 0.8661715095144868
Energy: -2.294420074444078
Energy: 0.8661715095122585
Energy: -2.3654471266483394
Energy: 0.8395268382345772
Energy: 0.6223953904834028
Energy: 0.8395268382360627
Energy: 0.6664984551438399
Energy: 0.8485009384375004
Energy: 0.5846212312775224
Energy: 0.8485009384337865
Energy: 0.58733009277497
Energy: 0.8661913252657217
Energy: 0.6615743218052111
Energy: 0.866191325264979
Energy: 0.5738212009020995
Energy: 0.8663338804485582
Energy: 0.6826830785825275
Energy: 0.8663338804485582
Energy: -2.3250603189466674
Energy: 0.8359053512201827
Energy: 0.5601717272650311
Energy: 0.8359053512186971
Energy: -2.4597872160830936
Energy: 0.7402220469088193
Energy: 0.5569103705851076
Energy: 0.740222046909562
Energy: 0.41032330139722606
Energy: 0.8658585512531852
Energy: -2.31060599919604
Energy: 0.8658585512524424
Energy: 0.5557576439003166
Energy: 0.8946681149888304
Energy: 0.6452010826040049
Energy: 0.8946681149888304
Energy: 0.5155784849132852
Energy: 0.8361343888040457
Energy: 0.44990500684144846
Energy: 0.8361343888040457
Energy: 0.5843928191158251
Energy: 0.9743815553450993
Energy: 0.5079327265671005
Energy: 0.9743815551156482
Energy: 0.5800645093159369
Energy: 0.8674995276841284
Energy: 0.5409320790729281
Energy: 0.8674995276885851
Energy: 0.5666931968711165
Energy: 0.8380973205754655
Energy: 0.5905659785367883
Energy: 0.838097320573237
Energy: 0.5902455265902925
Energy: 1.0163398985508465
Energy: 0.6497127162128903
Energy: 1.0163398985515892
Energy: 0.545621018030304
Energy: 0.8676575035820216
Energy: 0.4554712258359653
Energy: 0.8676575035820216
Energy: 0.5789770983687869
Energy: 1.0247329942952212
Energy: 0.6449316660693108
Energy: 1.0247329942967067
Energy: 0.4530611017114408
Energy: 0.8350153509089618
Energy: -2.4674312573546753
Energy: 0.8350153509097047
Energy: 0.6573894656818151
Energy: 0.7585683005159207
Energy: 0.5364591324171039
Energy: 0.7585683005136923
Energy: 0.6959977381726752
Energy: 0.8647240130858569
Energy: 0.4829691379554269
Energy: 0.8647240130814001
Energy: 0.6589045034369483
Energy: 0.8513305447561507
Energy: -2.526030134130008
Energy: 0.8513305447561507
Energy: 0.5683162348868565
Energy: 0.8362702637731244
Energy: 0.6685703802286886
Energy: 0.8362702637753527
Energy: 0.560747178248109
Energy: 0.8873541782135421
Energy: -2.380606012674377
Energy: 0.887354178210571

minimum gb energy = -2.580527134686804 eV
minimum distance =  2.2209814911541 Angstroms
sigma value = 1


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

Energy: 0.74624648458772
Energy: 0.9532732855723451
Energy: 0.397341758282744
Energy: 0.9532732855681106
Energy: 0.6501135315046412
Energy: 0.8539916746719313
Energy: 0.6192016352031022
Energy: 0.8539916746702375
Energy: 0.5453588606175053
Energy: 0.9554355182814686
Energy: 0.6863671697289917
Energy: 0.9554355182763873
Energy: 0.608209296912892
Energy: 0.7833512872588871
Energy: 0.621013900070028
Energy: 0.7833512872538058
Energy: 0.6215073915161098
Energy: 0.9137382664756466
Energy: 0.6384698600521738
Energy: 0.913738266472259
Energy: -1.8263567510434353
Energy: 0.9132450195823828
Energy: 0.6114487730876417
Energy: 0.9132450195849238
Energy: 0.6192108434715999
Energy: 0.6885533684723623
Energy: 0.6800066997099193
Energy: 0.6885533684757498
Energy: 0.4938209153773514
Energy: 0.9536462475578059
Energy: 0.5715761963925722
Energy: 0.953646247556959
Energy: 0.6539259885278977
Energy: 1.0443292216914517
Energy: -1.653230232407396
Energy: 1.0443292216880642
Energy: 0.6397188988485513
Energy: 0.9545050259805545
Energy: 0.4925286685707615
Energy: 0.9545050259763201
Energy: 0.6203994872617041
Energy: 0.830401920727416
Energy: -2.0185246004680253
Energy: 0.8304019207223345
Energy: 0.5792151617741307
Energy: 0.9345609262608333
Energy: 0.6857671346603159
Energy: 0.9345609262582927
Energy: 0.7366615727537569
Energy: 0.9162820604588341
Energy: 0.6163923802204495
Energy: 0.9162820604554465
Energy: 0.7365630562051627
Energy: 0.9164041140714192
Energy: 0.6468614893055782
Energy: 0.9164041140722661
Energy: 0.5783909122392121
Energy: 0.9345020177286997
Energy: 0.6699055409568719
Energy: 0.9345020177312403
Energy: 0.6192300220084337
Energy: 0.8299796687988292
Energy: 0.6741179974342583
Energy: 0.8299796687971355
Energy: 0.6397751843814047
Energy: 0.9555444892940634
Energy: 0.4904633104133326
Energy: 0.9555444892940634
Energy: 0.6527482004179522
Energy: 1.0437635051243326
Energy: -1.7469694015745036
Energy: 1.043763505119251
Energy: 0.49497864357911653
Energy: 0.9536899198408948
Energy: 0.5689803506211916
Energy: 0.9536899198425887
Energy: 0.6207024688719808
Energy: 0.6875142031262959
Energy: 0.6307369330046914
Energy: 0.687514203109358
Energy: -1.6820038417335919
Energy: 0.9132769601394187
Energy: 0.6167550761502412
Energy: 0.9132769601411125
Energy: 0.6185895512400851
Energy: 0.9131569475943119
Energy: 0.5671619242448378
Energy: 0.9131569475909241
Energy: 0.6084012089734825
Energy: 0.7822978107444817
Energy: 0.6726778075714366
Energy: 0.7822978107444817
Energy: 0.5445937763049039
Energy: 0.9554571348684849
Energy: 0.6775000285052841
Energy: 0.9554571348727195
Energy: 0.6499016054884714
Energy: 0.8538412061985747
Energy: 0.6197534343034324
Energy: 0.8538412062011156
Energy: 0.7462464845868731
Energy: 0.9532732855723451
Energy: 0.5254438460682268
Energy: 0.9532732855698044
Energy: 0.6501135315046412
Energy: 0.8539916746719313
Energy: 0.6192016352022554
Energy: 0.8539916746702375
Energy: 0.5453588606183521
Energy: 0.9554355182823155
Energy: 0.6863671697289917
Energy: 0.9554355182763873
Energy: 0.6082092969069637
Energy: 0.7833512871945227
Energy: 0.6261967619016783
Energy: 0.783351287180164

minimum gb energy = -2.0185246004680253 eV
minimum distance =  2.23063593425878 Angstroms
sigma value = 25


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

Energy: 0.8618152539331068
Energy: 1.012106901753184
Energy: 0.4996253208317666
Energy: 1.0121069017541686
Energy: 0.7560898077129975
Energy: 0.8763972330565899
Energy: -1.175154817257894
Energy: 0.8763972330565899
Energy: 0.602081123932593
Energy: 1.0940220836599652
Energy: 0.779949958312051
Energy: 1.0940220836589807
Energy: 0.6915709721314447
Energy: 1.0075798886454854
Energy: 0.6939899732655608
Energy: 1.007579888644501
Energy: 0.6984324713384105
Energy: 1.0183187074833884
Energy: 0.6828090651975652
Energy: 1.018318707484373
Energy: -1.1331684929921442
Energy: 1.0956917398918105
Energy: 0.938772485147754
Energy: 1.0956917398957484
Energy: 0.7565597072993576
Energy: 0.7792345824273352
Energy: -1.2617756971810858
Energy: 0.7792377439878823
Energy: -1.2016144013050172
Energy: 1.0154208933706323
Energy: 0.6420070422754054
Energy: 1.015420893371617
Energy: -1.2823944685255184
Energy: 0.91712098455287
Energy: 0.7535453733140768
Energy: 0.91712098455287
Energy: 0.7822489492921278
Energy: 1.095765157730452
Energy: 0.6683114319438871
Energy: 1.095765157732421
Energy: 0.7330350902331477
Energy: 1.0204625690217906
Energy: 0.8164129724137458
Energy: 1.0204625690198217
Energy: 0.6979386563882094
Energy: 1.018651543221581
Energy: 0.8202924712045015
Energy: 1.01865154322355
Energy: 0.7778361193800195
Energy: 1.002461504589445
Energy: 0.6633366231988161
Energy: 1.002461504589445
Energy: -1.3207841861018508
Energy: 0.8712664380189931
Energy: 0.764799380283166
Energy: 0.8712664380170241
Energy: 0.6321351889439696
Energy: 1.0165961588979864
Energy: 0.6337210165016829
Energy: 1.0165961588989263
Energy: 0.740389132063586
Energy: 1.1265203910433184
Energy: 0.695117953465029
Energy: 1.1265203910826538
Energy: 0.5870317270376121
Energy: 1.0788389931557454
Energy: 0.5892022221379475
Energy: 1.0788389931557454
Energy: 0.6924668520031606
Energy: 0.9344284568558076
Energy: 0.7124414211551058
Energy: 0.9344284568518696
Energy: 0.678637858521582
Energy: 1.0404396686261
Energy: -0.9900499929450868
Energy: 1.0404396686270845
Energy: 0.8013262117934388
Energy: 1.0860383341707054
Energy: 0.7634471834518237
Energy: 1.08603833417169
Energy: -1.2855854417981123
Energy: 0.9532664682972378
Energy: 0.7491827610854714
Energy: 0.9532664682972378
Energy: 0.8537936826256255
Energy: 1.0131966643169068
Energy: -0.7992006889945544
Energy: 1.0131966643169068
Energy: 0.7487813657562731
Energy: 0.916316479675237
Energy: -1.1154271890569287
Energy: 0.916316479675237
Energy: 0.609359137657346
Energy: 1.078463212115289
Energy: 0.7662122063583622
Energy: 1.0784632121113509
Energy: -1.0903316007945263
Energy: 0.8905543813222003
Energy: 0.6865483308831465
Energy: 0.8905543813231848

minimum gb energy = -1.3207841861018508 eV
minimum distance =  2.22178332665871 Angstroms
sigma value = 9


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

Energy: 0.9614989009291407
Energy: 1.1334670039265975
Energy: 0.5973876988584025
Energy: 1.1334670039230745
Energy: 0.9102390753887944
Energy: 1.001471609124323
Energy: 0.8865633269151431
Energy: 1.001471609121974
Energy: 0.6886471690046461
Energy: 1.1345852291923308
Energy: 0.8319070510495248
Energy: 1.134585229195854
Energy: 0.9714100919382546
Energy: 0.9833354928965247
Energy: 0.7890286862434839
Energy: 0.9833354931101654
Energy: -0.47091110251572027
Energy: 1.023681557528064
Energy: 0.8904910783613779
Energy: 1.0236815575268892
Energy: 0.6902265989047013
Energy: 1.105820277629172
Energy: 0.8268765369122539
Energy: 1.105820277629172
Energy: -0.7466370032649686
Energy: 0.7741306093331648
Energy: 0.7817644151359912
Energy: 0.7741296273950563
Energy: 0.6842579467264637
Energy: 1.1059633627231478
Energy: 0.7721112055294096
Energy: 1.1059633627231478
Energy: 0.9573860736941419
Energy: 1.0231476192825726
Energy: 0.8802410402102443
Energy: 1.0231476192813982
Energy: 0.9429169331035258
Energy: 1.1030520704229565
Energy: 0.8231097117801282
Energy: 1.103052070424131
Energy: 0.837061952621534
Energy: 1.1015639472373233
Energy: 0.8276418379986339
Energy: 1.101563947239672
Energy: 0.9713216053214028
Energy: 1.000224319714092
Energy: 0.7905042069969825
Energy: 1.0002243197234608
Energy: 0.6806490832977906
Energy: 1.1349218150881737
Energy: 0.6284469571250069
Energy: 1.1349218150952205
Energy: -0.6912001778238867
Energy: 0.955846540684131
Energy: 0.8391967322573842
Energy: 0.9558465413239322
Energy: 0.6803464153086621
Energy: 1.133766704162036
Energy: 0.5971896665838757
Energy: 1.1337667041561639
Energy: 0.9600589623096192
Energy: 0.9997936446305211
Energy: 0.7520250769293089
Energy: 0.9997936446246755
Energy: 0.8285862583325517
Energy: 1.1008251600442243
Energy: 0.8896141514949035
Energy: 1.1008251600395267
Energy: 0.9410152038239253
Energy: 1.102842108764231
Energy: 0.8244950742504149
Energy: 1.102842108766553
Energy: 0.9607848759651723
Energy: 1.022979596483737
Energy: 0.9265753215394895
Energy: 1.0229795964825625
Energy: 0.6943150996635081
Energy: 1.1058643377063933
Energy: 0.7811160907503871
Energy: 1.1058643377075676
Energy: -0.5485648675294198
Energy: 0.7854184573762282
Energy: 0.7809322973547239
Energy: 0.7854184573750538

minimum gb energy = -0.7466370032649686 eV
minimum distance =  2.33070991837716 Angstroms
sigma value = 25


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

Energy: 0.9386361148979097
Energy: 1.2123839036101594
Energy: 0.79111533580188
Energy: 1.2123839036101594
Energy: 0.8956827159218207
Energy: 1.0833876531147102
Energy: 0.878535900176767
Energy: 1.083387653113258
Energy: 0.8767591118827135
Energy: 1.2383406012369975
Energy: 0.8555376824007563
Energy: 1.2383406012355451
Energy: 0.9624855603343151
Energy: 1.1951332465192095
Energy: 0.8388289932770117
Energy: 1.1951332465206619
Energy: 0.8234453311222911
Energy: 0.8960533564407411
Energy: 0.9317151851441202
Energy: 0.8960533564407411
Energy: 0.8578979967663539
Energy: 1.2372603849688786
Energy: 0.8576417668898612
Energy: 1.2372603849674264
Energy: 0.9380745536596381
Energy: 1.044506396758145
Energy: 0.8793060390644855
Energy: 1.044506396758145
Energy: 0.8370694941579384
Energy: 1.1877295088409938
Energy: 0.9415945801181237
Energy: 1.1877295088409938
Energy: 0.8555520850696391
Energy: 1.0642692321829506
Energy: 0.8968082313626252
Energy: 1.0642692321829506
Energy: 0.9273365852409221
Energy: 1.1430255959371132
Energy: 0.8762325570250742
Energy: 1.1430255959371132
Energy: 0.8122463002018104
Energy: 1.187244250845301
Energy: 0.7665450871183142
Energy: 1.1872442508438483
Energy: 0.8939800309334038
Energy: 1.437233948128831
Energy: 0.9250629801774187
Energy: 1.4372339481505843
Energy: 0.7830001369901325
Energy: 1.2637548899409143
Energy: 0.855289720622417
Energy: 1.2637548899409143
Energy: 0.893120937937694
Energy: 1.0533627369514666
Energy: 0.962729562887663
Energy: 1.0533627369514666
Energy: 1.0244059547449285
Energy: 1.2075836991192554
Energy: 0.8349948359899227
Energy: 1.2075836991192554
Energy: 0.8986233359869116
Energy: 1.1437069596450988
Energy: 0.8578437052169724
Energy: 1.143706959646551
Energy: 0.8791541320102815
Energy: 0.9362441031530822
Energy: 0.9252378408332743
Energy: 0.9362441031530822

minimum gb energy = 0.7665450871183142 eV
minimum distance =  2.31948863034221 Angstroms
sigma value = 17


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

Energy: 1.0223836418305134
Energy: 1.128171058928173
Energy: 0.6858304398095851
Energy: 1.1281710589273506
Energy: 0.9585501454067993
Energy: 0.9432022366912807
Energy: 0.9047644674514487
Energy: 0.9432022366904581
Energy: 0.9005068604587657
Energy: 1.2028668769839015
Energy: 0.8988871136768121
Energy: 1.2028668769839015
Energy: 0.9019133892354262
Energy: 1.0628675829653749
Energy: 0.8683519371476541
Energy: 1.0628675829653749
Energy: 1.0046007900139875
Energy: 1.094662640746944
Energy: 0.9190719677129119
Energy: 1.0946626407502342
Energy: 0.9334273871774008
Energy: 1.138991075754507
Energy: 0.8562087089940165
Energy: 1.1389910757068344
Energy: 0.8977896513662726
Energy: 1.0355082163856566
Energy: 0.8915357801059917
Energy: 1.0355082163848341
Energy: 0.8531683880796892
Energy: 1.2379518449333469
Energy: 0.9384263830447349
Energy: 1.2379518449300564
Energy: 0.9400976444024679
Energy: 1.1842596463114372
Energy: 0.8769495323557879
Energy: 1.1842596463081467
Energy: 0.9105984670023118
Energy: 1.0895796427722955
Energy: 0.9046872853416061
Energy: 1.0895796427196875
Energy: 0.9013088696175762
Energy: 1.1311840717403598
Energy: 0.8948394485696626
Energy: 1.1311840717387147
Energy: 0.935538617976131
Energy: 1.0632819872801553
Energy: 0.9356444823279038
Energy: 1.0632819872842683
Energy: 0.9159391862452491
Energy: 1.1284906862931632
Energy: 1.011431481307863
Energy: 1.1284906862956308
Energy: 0.9041964553363124
Energy: 1.211018798835386
Energy: 0.9208836640816523
Energy: 1.2110187988337406
Energy: 0.9128640297389251
Energy: 1.036749263224666
Energy: 0.9337855690136562
Energy: 1.0367492632230209
Energy: 0.8751196681971963
Energy: 1.242526291369075
Energy: 0.8618180683998294
Energy: 1.2425262913682524
Energy: 0.9026287564124748
Energy: 1.0811502945476037
Energy: 0.9546254245508615
Energy: 1.0811502945385554
Energy: 0.8642843558236003
Energy: 1.1015681010431055
Energy: 0.933661402404369
Energy: 1.101568101042283
Energy: 0.9569609007164097
Energy: 1.133031253243761
Energy: 0.9277181042665755
Energy: 1.1330312532454063
Energy: 0.8946218164804257
Energy: 1.0634776024322192
Energy: 0.8988998279718059
Energy: 1.0634776024067192
Energy: 0.8556624794622769
Energy: 1.1604738015718998
Energy: 0.8978330892025606
Energy: 1.1604738015718998
Energy: 0.9053333321875012
Energy: 0.8943713745027639
Energy: 0.908235894373808
Energy: 0.8943713745019414
Energy: 0.9106109734507408
Energy: 1.2060133131627744
Energy: 0.8976963326435278
Energy: 1.206013313165242
Energy: 0.9687289374124618
Energy: 1.03641627248973
Energy: 0.9007214943009081
Energy: 1.03641627248973
Energy: 1.0077500394845746
Energy: 1.202878360474263
Energy: 0.8981870265014484
Energy: 1.2028783604767306
Energy: 0.7924396743564205
Energy: 1.2047203233942934
Energy: 0.8986725050240696
Energy: 1.204720323396761
Energy: 0.9196491373803559
Energy: 1.0864110161335432
Energy: 0.9955189250597172
Energy: 1.0864110161376561
Energy: 0.8325190907278887
Energy: 1.1602030814371547
Energy: 0.8980077863216197
Energy: 1.1602030814355095
Energy: 0.9503665909262361
Energy: 1.062158264218572
Energy: 0.8983241087951115
Energy: 1.062158264218572
Energy: 0.9381289852055479
Energy: 1.1536326758029527
Energy: 0.8973478973627421
Energy: 1.1536326758037754

minimum gb energy = 0.6858304398095851 eV
minimum distance =  2.21740004473424 Angstroms
sigma value = 53


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

Energy: 0.946221309751236
Energy: 0.9464158821292443
Energy: 0.8778997756460133
Energy: 0.9464158821273505
Energy: 0.9832205094160782
Energy: 0.9417501923622937
Energy: 0.9001933322776947
Energy: 0.9417501923604001
Energy: 0.9345424795934408
Energy: 1.2044807057174174
Energy: 0.976583304785696
Energy: 1.204480705692799
Energy: 0.9345010049434309
Energy: 1.2048676604487216
Energy: 0.9071328229677682
Energy: 1.204867660446828
Energy: 0.9834172132909288
Energy: 0.9417009408652458
Energy: 0.8998435968442741
Energy: 0.9417009408614583
Energy: 0.9462213097493424
Energy: 0.9464158821254568
Energy: 0.864185546989749
Energy: 0.9464158821273505
Energy: 0.9832205094160782
Energy: 0.9417501923604001
Energy: 0.8773572700191911
Energy: 0.9417501923585064
Energy: 0.9345424795915471
Energy: 1.2044807057155238
Energy: 0.9765833047819084
Energy: 1.2044807057136302
Energy: 0.9345010049415371
Energy: 1.2048676604487216
Energy: 0.8988931139852145
Energy: 1.2048676604449344
Energy: 0.9834172132928225
Energy: 0.9417009408633521
Energy: 0.8772205918444295
Energy: 0.9417009408633521
Energy: 0.946221309751236
Energy: 0.9464158821273505
Energy: 0.8352200379766757
Energy: 0.9464158821273505
Energy: 0.9832205094160782
Energy: 0.9417501923641876
Energy: 0.8773572700172974
Energy: 0.9417501923585064
Energy: 0.9345424795934408
Energy: 1.2044807057136302
Energy: 0.976583304785696
Energy: 1.2044807057155238

minimum gb energy = 0.8352200379766757 eV
minimum distance =  2.22889122778197 Angstroms
sigma value = 9


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

Energy: 1.0391494508732855
Energy: 1.2468235365187148
Energy: 0.781074966458853
Energy: 1.2468235365173128
Energy: 0.976511047353072
Energy: 0.951310981722257
Energy: 0.946950005014595
Energy: 0.9513109817215561
Energy: 0.9282677978462769
Energy: 1.1995439400519874
Energy: 0.9034960419279957
Energy: 1.1995439400596972
Energy: 0.8431002671121152
Energy: 1.2326902944382105
Energy: 0.9397339831346668
Energy: 1.2326902945734204
Energy: 0.908920872964202
Energy: 1.0041775772892036
Energy: 0.899706386062051
Energy: 1.0041775772906052
Energy: 1.0170883652541918
Energy: 1.0173165408497935
Energy: 0.8212616813035886
Energy: 1.0173165408511955
Energy: 0.9428842947874359
Energy: 0.9905569279545222
Energy: 0.9297119617201769
Energy: 0.9905569279538212
Energy: 0.9493032831177248
Energy: 1.2597314653941114
Energy: 0.8588085255734819
Energy: 1.259731465388504
Energy: 0.9060795432472986
Energy: 1.2517841584236242
Energy: 1.023829676900645
Energy: 1.2517841584180172
Energy: 0.899712714768081
Energy: 0.9952479745104104
Energy: 0.9286740345054215
Energy: 0.9952479745146157
Energy: 0.942390156752863
Energy: 1.2632303899089579
Energy: 0.868491831638526
Energy: 1.263230389906154
Energy: 0.8999506353669099
Energy: 1.276038401771795
Energy: 0.8997558699097489
Energy: 1.276038402945991
Energy: 0.9187723902555105
Energy: 1.273991583749708
Energy: 0.8478489371324619
Energy: 1.2739915837476052
Energy: 0.9473098645136732
Energy: 1.2557005988941166
Energy: 1.0431106419539466
Energy: 1.2557005988625765
Energy: 0.9267323944617573
Energy: 1.1263903178391674
Energy: 0.8778834167280523
Energy: 1.1263903178384667
Energy: 0.9186618020039682
Energy: 1.2818230084830262
Energy: 0.8209528507421188
Energy: 1.2818230084872317
Energy: 0.9110180673940036
Energy: 1.1276879025920445
Energy: 0.9268614230889503
Energy: 1.1276879028246154
Energy: 0.944351201421596
Energy: 1.0457269534322156
Energy: 0.9275565275858575
Energy: 1.0457269534329166
Energy: 0.9127294140755348
Energy: 1.1296672352733836
Energy: 1.0185715473495758
Energy: 1.1296672352677766
Energy: 0.8994628011406135
Energy: 1.0311703303137076
Energy: 0.9554596803345059
Energy: 1.0311703303123059
Energy: 0.85089143353539
Energy: 1.2295075785332794
Energy: 0.8484216239675119
Energy: 1.2295075785073462
Energy: 0.9534158634080728
Energy: 0.9869670729008679
Energy: 0.8995547288704198
Energy: 0.9869670729029707
Energy: 1.0222264579160112
Energy: 1.0897188135844593
Energy: 0.9070490291611566
Energy: 1.0897188135886648
Energy: 0.9001200785704934
Energy: 1.2483244634328592
Energy: 0.9413106678277481
Energy: 1.2483244633670385
Energy: 0.9303832787570945
Energy: 1.0894863048110484
Energy: 0.9364530128384834
Energy: 1.0894863048159547
Energy: 0.8610086196981354
Energy: 1.1542167789623874
Energy: 0.9184265542355466
Energy: 1.1542167789651911
Energy: 0.9235080930748019
Energy: 1.1398328550339394
Energy: 0.8431140068904309
Energy: 1.1398328550304349
Energy: 0.9971379086869024
Energy: 1.1669755553446433
Energy: 0.8448974022570283
Energy: 1.1669755552906738
Energy: 0.8700002114592786
Energy: 1.1566585556759579
Energy: 0.9180898269011384
Energy: 1.1566585556717524
Energy: 0.9570348064625256
Energy: 1.143312516110302
Energy: 0.9506478665792033
Energy: 1.1433125159547661
Energy: 0.986285108823543
Energy: 1.2405126211728241
Energy: 0.9408684480927288
Energy: 1.2405126211686188
Energy: 0.9671988531269331
Energy: 0.9907096776006928
Energy: 0.8995354232088058
Energy: 0.9907096775971883
Energy: 0.9716835691730724
Energy: 0.9895837033632805
Energy: 0.9000086441238632
Energy: 0.9895837033681868
Energy: 0.8494985151788224
Energy: 1.2331210725544937
Energy: 0.8476686683881027
Energy: 1.233121072560802
Energy: 0.8872305362080556
Energy: 1.0390205660611729
Energy: 0.903700398583273
Energy: 1.0390205660611729

minimum gb energy = 0.781074966458853 eV
minimum distance =  2.25993882236404 Angstroms
sigma value = 73


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

Energy: 1.0777476370295471
Energy: 1.1588651238324148
Energy: 0.8370516673452918
Energy: 1.1588651238324148
Energy: 1.0397602453226649
Energy: 1.1234715957872972
Energy: 0.9977018200318891
Energy: 1.1234715958084258
Energy: 0.9274798883945049
Energy: 1.1745944140382925
Energy: 0.9589381215354283
Energy: 1.1745944140894458
Energy: 0.8714069209243539
Energy: 1.1804590402548356
Energy: 0.9777677529081648
Energy: 1.1804590402570596
Energy: 0.8757472692733287
Energy: 1.0810564485801488
Energy: 0.9578133047487382
Energy: 1.0810564485768128
Energy: 0.9797984628618902
Energy: 1.293395130653107
Energy: 0.7870755421105154
Energy: 1.293395130658667
Energy: 1.0041168316898637
Energy: 1.1838371025337648
Energy: 0.9339655884826136
Energy: 1.1838371025293164
Energy: 0.9233308249594212
Energy: 1.2065184932827415
Energy: 0.8859850390690859
Energy: 1.2065184932860775
Energy: 0.8914003364273708
Energy: 1.0464315966291755
Energy: 1.0458878019262625
Energy: 1.0464315966302873
Energy: 0.9272614699534338
Energy: 0.9963263813269934
Energy: 0.9271882222636472
Energy: 0.9963263813258812
Energy: 0.9225263875644998
Energy: 1.15200020157708
Energy: 0.8509865908845422
Energy: 1.152000201578192
Energy: 0.9378940143717329
Energy: 1.1485537968587778
Energy: 0.8696975300455153
Energy: 1.148553796862114
Energy: 0.9789896573648292
Energy: 0.9902244064402783
Energy: 0.9372922118472752
Energy: 0.9902244064413903
Energy: 0.738446508055346
Energy: 1.2864444566680122
Energy: 0.9798491297630466
Energy: 1.286444456665788
Energy: 0.9518818481164228
Energy: 1.1484457658884686
Energy: 0.9600519564053244
Energy: 1.1484457658817966
Energy: 0.8508199093806019
Energy: 1.2073335408981902
Energy: 0.9237341387858272
Energy: 1.2073335408970782
Energy: 1.0311283381855059
Energy: 1.1806470919462773
Energy: 0.9274150970135241
Energy: 1.1806471016922548
Energy: 1.0059486984325452
Energy: 1.1847075077230813
Energy: 0.9280277704538091
Energy: 1.1847075077241933
Energy: 0.8439984344354822
Energy: 1.151327424642025
Energy: 0.9221080716852136
Energy: 1.1513274246398264
Energy: 1.0002750311510689
Energy: 1.2267034139189958
Energy: 0.9935126301689038
Energy: 1.2267034139112114
Energy: 0.9104374052899568
Energy: 1.1637047873117023
Energy: 0.9782413416099752
Energy: 1.1636863658526964
Energy: 0.977795236493434
Energy: 1.071381846945641
Energy: 0.8943364310929187
Energy: 1.071381846944529

minimum gb energy = 0.738446508055346 eV
minimum distance =  2.25727250547698 Angstroms
sigma value = 7


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

Energy: 1.067745728163571
Energy: 1.069121004747626
Energy: 0.8317375461643003
Energy: 1.0691210047421218
Energy: 0.8900657005243963
Energy: 1.210132339841034
Energy: 0.982475622342412
Energy: 1.2101323446716465
Energy: 0.9283569766528345
Energy: 1.169507276891972
Energy: 0.863514658408152
Energy: 1.1695072769014079
Energy: 0.8067007813306262
Energy: 1.1153653135947703
Energy: 0.9844878732339382
Energy: 1.115365313589302
Energy: 0.9079439774532738
Energy: 1.0515262334150834
Energy: 0.8765631718691669
Energy: 1.0515262334111517
Energy: 0.9504828677617221
Energy: 1.1858585875506278
Energy: 0.80137026414581
Energy: 1.18585858754591
Energy: 0.965062267116005
Energy: 1.17351896370504
Energy: 0.8844107559128177
Energy: 1.1735189893734592
Energy: 0.9502679564348925
Energy: 1.0689171651617202
Energy: 0.9906463984440446
Energy: 1.0689171651640792
Energy: 0.9390530340737326
Energy: 0.9860445577666446
Energy: 0.9776639624881917
Energy: 0.9860445577690035
Energy: 0.9066488901779644
Energy: 1.0325269351245272
Energy: 0.9386528400747178
Energy: 1.0325269351276727
Energy: 0.8133788207084601
Energy: 1.2187983294698361
Energy: 0.8699603958517407
Energy: 1.2187983294816311
Energy: 0.9936183066716916
Energy: 1.0516765500120466
Energy: 0.8526578943889651
Energy: 1.0516765500065424
Energy: 0.9787405002341182
Energy: 0.8830130975835444
Energy: 0.8532508487988617
Energy: 0.8830130975914076
Energy: 0.8602263425720714
Energy: 1.1531188255943523
Energy: 0.867447037775722
Energy: 1.1531188255998568
Energy: 0.9508585540236446
Energy: 1.2014391112796312
Energy: 0.9784483391292631
Energy: 1.2014391112882807
Energy: 1.0443387151922239
Energy: 1.0458499200895415
Energy: 0.974981436492541
Energy: 1.045849920084037
Energy: 0.9005765217497764
Energy: 1.0114271296850168
Energy: 0.8969198056999835
Energy: 1.0114271296779398
Energy: 0.8845739681004404
Energy: 1.182119734276153
Energy: 0.8534081290043316
Energy: 1.182119734353177
Energy: 0.9504394457463046
Energy: 1.1009119164529941
Energy: 0.8531300108107885
Energy: 1.1009119164483119
Energy: 0.90654805151921
Energy: 1.0513477640635691
Energy: 0.8533599073764335
Energy: 1.0513477640698599
Energy: 0.8082778779764824
Energy: 1.1977637508447234
Energy: 0.977735801614316
Energy: 1.1977637501876413
Energy: 0.9070945392687877
Energy: 1.1695143403438835
Energy: 0.9178108604119394
Energy: 1.1695143394038314
Energy: 0.9118953888621119
Energy: 1.1879077543361845
Energy: 0.9243429139223833
Energy: 1.187907754630127
Energy: 1.0701394273183846
Energy: 1.0685732272648973
Energy: 0.8920348295510233
Energy: 1.0685732272586066
Energy: 0.9702516762317657
Energy: 1.0515317610736612
Energy: 0.9106880491912278
Energy: 1.0515317610846697
Energy: 0.814314237430081
Energy: 1.2106841740966812
Energy: 0.8523258810709632
Energy: 1.210684174098254
Energy: 0.9081939930202718
Energy: 1.0216835687243173
Energy: 0.9110447711596927
Energy: 1.0216835687203858
Energy: 0.8060225760374229
Energy: 1.0120548534148188
Energy: 0.9402393332367326
Energy: 1.0120548534093143
Energy: 0.9473283126449736
Energy: 1.1820372022528005
Energy: 0.8892327071907997
Energy: 1.1820372022323562
Energy: 1.0460806326557317
Energy: 1.0134295850136257
Energy: 0.9823023483252666
Energy: 1.013429585014412
Energy: 0.9473710483826936
Energy: 1.1827755652052334
Energy: 1.056734281354957
Energy: 1.182775565209165

minimum gb energy = 0.80137026414581 eV
minimum distance =  2.20228853606694 Angstroms
sigma value = 29


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

Energy: 1.1067982129700953
Energy: 0.6999106102270843
Energy: 0.9171724875941298
Energy: 0.6999106102268409
Energy: 0.7500351983412167
Energy: 0.9578172149287685
Energy: 0.9573361573613351
Energy: 0.9578166712691533
Energy: 0.8922535087663859
Energy: 0.9900983844909809
Energy: 0.9185325608193313
Energy: 0.9900983844914982
Energy: 0.9576062184457974
Energy: 0.9370575897037339
Energy: 0.9574034868689718
Energy: 0.9370572845350466
Energy: 1.1071230844888706
Energy: 0.9377432940235891
Energy: 0.9444009788142382
Energy: 0.9377432940235891
Energy: 0.6792019859111189
Energy: 1.1260112818741492
Energy: 0.6789130287436724
Energy: 1.1260112818738754
Energy: 0.8926980413581906
Energy: 0.9383052598390498
Energy: 1.1068059509132346
Energy: 0.9383052598387759
Energy: 0.9573195228054935
Energy: 0.937084188107006
Energy: 0.9575425596011067
Energy: 0.9370841867281047
Energy: 0.7540344147559185
Energy: 0.9901729806049997
Energy: 0.7500576911372343
Energy: 0.9901729806055476

minimum gb energy = 0.6789130287436724 eV
minimum distance =  2.31611615534765 Angstroms
sigma value = 5


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

Energy: 0.9164185630880618
Energy: 0.7759550783993162
Energy: 0.674457220344818
Energy: 0.7759550783985734
Energy: 0.9349624876865406
Energy: 1.2944397061728914
Energy: 0.7322526506736872
Energy: 1.2944397062286002
Energy: 0.748958373333619
Energy: 0.8243194424789242
Energy: 0.8945193283955577
Energy: 0.8243194424922942
Energy: 0.7171575871596192
Energy: 0.781929209138621
Energy: 0.8742117133138135
Energy: 0.7819292113822865
Energy: 0.7858533721485499
Energy: 1.0503207428788826
Energy: 0.9207232781667911
Energy: 1.0503207428781398
Energy: 0.6786435028607078
Energy: 0.803866809185919
Energy: 0.7792391057496016
Energy: 0.8038668091844333
Energy: 0.7464184601719498
Energy: 0.9595481248696343
Energy: 0.7530072018196015
Energy: 0.9595481248688914
Energy: 0.7449420404542849
Energy: 1.1157295907971654
Energy: 0.7508780534482203
Energy: 1.1157295995053735
Energy: 0.7848387445907021
Energy: 1.049320751319798
Energy: 0.7477769869821193
Energy: 1.0493207513190552
Energy: 0.7835550729293985
Energy: 0.9076814538744803
Energy: 0.7017687300346319
Energy: 0.9076814538759658
Energy: 0.766762527876597
Energy: 1.2690222549286896
Energy: 0.7497331499320319
Energy: 1.2690222548752095
Energy: 0.7446493118686549
Energy: 0.779891618950357
Energy: 0.8383484799301218
Energy: 0.7798916231756227
Energy: 0.6816914975448876
Energy: 0.7782454962358294
Energy: 0.9366674819920603
Energy: 0.7782454962350865
Energy: 0.7826511273736011
Energy: 1.0123394016814333
Energy: 0.9741977663939348
Energy: 1.0123394016762337
Energy: 0.8608248543962883
Energy: 1.2458547855915787
Energy: 0.7490994267284308
Energy: 1.2458547857549227
Energy: 0.8839176092698143
Energy: 0.7211325806376341
Energy: 0.8001873427534076
Energy: 0.7211325806368913
Energy: 0.9364477493685336
Energy: 1.139381998948093
Energy: 0.7657913619780826
Energy: 1.1393820585000087
Energy: 0.7867011474389145
Energy: 0.8032088623326702
Energy: 0.7298402263540061
Energy: 0.8032088623319275
Energy: 0.7589011330973389
Energy: 0.9049223241308679
Energy: 0.741646595765355
Energy: 0.9049223241301251
Energy: 0.7489937458403911
Energy: 1.1507251705112227
Energy: 0.7935822988578657
Energy: 1.1507251670454828
Energy: 0.6952802761982575
Energy: 1.068552647156017
Energy: 0.8241128075663047
Energy: 1.0721021131795891
Energy: 0.7862521326292078
Energy: 0.9082787644480301
Energy: 0.786258127681771
Energy: 0.9082787644465447
Energy: 0.7337756081055066
Energy: 1.0676315895646047
Energy: 0.6967045161378601
Energy: 1.067630723355576
Energy: 0.8361723392071396
Energy: 1.15389825620992
Energy: 0.7493370282524152
Energy: 1.1540745838832112
Energy: 0.8954409813473766
Energy: 0.8362201322264199
Energy: 0.7524453261817259
Energy: 0.8362201322293911
Energy: 0.8069408270759261
Energy: 0.9795996514148656
Energy: 0.7880185334828544
Energy: 0.9795996514044668
Energy: 0.8397461964445906
Energy: 0.7590351009521655
Energy: 0.762040979982026
Energy: 0.7590350784834329
Energy: 0.6443930316242084
Energy: 1.2707133419348449
Energy: 0.8842168518124648
Energy: 1.270713341432996
Energy: 0.743476082004675
Energy: 1.2864501319298756
Energy: 0.9688999384980758
Energy: 1.286174033418066
Energy: 0.7864264289670715
Energy: 0.776468478530857
Energy: 0.786902138014182
Energy: 0.7764684785775845
Energy: 0.8008938436229276
Energy: 0.7503685864208467
Energy: 0.7834756915062795
Energy: 0.7503685864178756
Energy: 1.0385011349077988
Energy: 1.1314635905301738
Energy: 0.7448387839880465
Energy: 1.1314635902368435
Energy: 0.8820152644029952
Energy: 1.255973431396666
Energy: 0.6977982865455136
Energy: 1.2559734472716804

minimum gb energy = 0.6443930316242084 eV
minimum distance =  2.15311711373749 Angstroms
sigma value = 1


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

Energy: 0.8944681826477517
Energy: 0.8971287374561159
Energy: 0.7861930160474871
Energy: 0.8971287374581699
Energy: 0.9405509976305055
Energy: 1.29178832021973
Energy: 0.7977999162581854
Energy: 1.2917883091914053
Energy: 0.7312763288554242
Energy: 0.8735228420181959
Energy: 0.8595458054654617
Energy: 0.873522842021277
Energy: 0.7230881405730999
Energy: 1.0557977348352972
Energy: 0.7775592965842177
Energy: 1.0557827986218689
Energy: 0.7010712795354691
Energy: 1.1192737639177348
Energy: 0.9468078909257933
Energy: 1.1186559454069878
Energy: 0.7075585315964517
Energy: 1.0372230840982322
Energy: 0.7976386137429774
Energy: 1.0499471727369574
Energy: 0.7009607216613636
Energy: 0.947489506046322
Energy: 0.722569611089
Energy: 0.947489506043241
Energy: 0.7045623636825086
Energy: 1.0501193281192787
Energy: 0.7465757847907208
Energy: 1.047815975581767
Energy: 0.8389002291349271
Energy: 1.1218521973030162
Energy: 0.7281553175045978
Energy: 1.1218521980657619
Energy: 0.839335421709574
Energy: 1.1138985670151411
Energy: 0.7528243558611905
Energy: 1.1138993109381137
Energy: 0.7037571347954827
Energy: 1.0768290105427683
Energy: 0.7284888689462814
Energy: 1.0769344963090357
Energy: 0.7007771866042543
Energy: 0.947127881334914
Energy: 0.739500250579109
Energy: 0.9471278813462113
Energy: 0.7075493630022904
Energy: 1.0468381914654592
Energy: 0.7979940592278512
Energy: 1.0683204735533431
Energy: 0.7010434570018845
Energy: 1.1282391441349582
Energy: 0.8060321410377266
Energy: 1.128239144132904
Energy: 0.7232088992078274
Energy: 1.0572135533269889
Energy: 0.7776819442689588
Energy: 1.0573257036226464
Energy: 0.731446196708195
Energy: 0.8736263904153371
Energy: 0.8749230539922828
Energy: 0.873626390419445
Energy: 0.9187875639818744
Energy: 1.3077151413295485
Energy: 0.7978050444911065
Energy: 1.3077151412720822
Energy: 0.8944681826477517
Energy: 0.8971287374561159
Energy: 0.786193551803687
Energy: 0.8971287374591971
Energy: 0.9405509976294786
Energy: 1.2917882126322138
Energy: 0.7977999162581854
Energy: 1.2917882342741354
Energy: 0.7312763288585051
Energy: 0.8735228420192228
Energy: 0.8596623293917885
Energy: 0.873522842022304
Energy: 0.723088140576181
Energy: 1.0509832057801025
Energy: 0.7775592965842177
Energy: 1.0471794422310325
Energy: 0.7010712795354691
Energy: 1.119273739359323
Energy: 0.9468078909257933
Energy: 1.1192737770330479
Energy: 0.7075585315985057
Energy: 1.043437494050669
Energy: 0.7976386137440045
Energy: 1.0540103026415848
Energy: 0.7009607216623907
Energy: 0.9474895060442681
Energy: 0.722569611091054
Energy: 0.9474895060422139

minimum gb energy = 0.7007771866042543 eV
minimum distance =  2.26713355945273 Angstroms
sigma value = 17


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

Energy: 0.8520479228175406
Energy: 0.730649812879636
Energy: 0.4455956743932764
Energy: 0.7306498128809056
Energy: 0.7804988794454855
Energy: 1.0413763594625538
Energy: 0.6967773231376257
Energy: 1.041375703293934
Energy: 0.6991309130437663
Energy: 0.686777160281557
Energy: 0.8932448482688994
Energy: 0.6867771602669571
Energy: 0.6037860237511694
Energy: 0.9717571339134153
Energy: 0.6885500433923128
Energy: 0.9717558026289388
Energy: 0.6591520725328863
Energy: 1.131980054502504
Energy: 0.9523505449217551
Energy: 1.1319800545037737
Energy: 0.6043279479449825
Energy: 1.1396919652691142
Energy: 0.7759951527176618
Energy: 1.1396919635629483
Energy: 0.6904937808882395
Energy: 0.9934244350964035
Energy: 0.6846005372901844
Energy: 0.9934244351002123
Energy: 0.6737263740166497
Energy: 0.8969162425037601
Energy: 0.6576216718738017
Energy: 0.8969162425012209
Energy: 0.6757328450524259
Energy: 0.9718903519729881
Energy: 0.6575486994562223
Energy: 0.9718903519748924
Energy: 0.6755443364311335
Energy: 1.1874966677567735
Energy: 0.6915190647403198
Energy: 1.1874966678068635
Energy: 0.6984883468578935
Energy: 1.0887374574255724
Energy: 0.6603439879310049
Energy: 1.0887374570087547
Energy: 0.691835268616623
Energy: 0.7536631934548044
Energy: 0.6433650952383227
Energy: 0.7536631934567087
Energy: 0.605103221903446
Energy: 1.1651966412548984
Energy: 0.6886296349927751
Energy: 1.165196639742282
Energy: 0.6529745083002431
Energy: 1.0046877203658349
Energy: 0.7423363804192432
Energy: 1.0046877205028888
Energy: 0.6444392793362392
Energy: 1.1766028442584662
Energy: 0.7329154131108471
Energy: 1.1766028442768748
Energy: 0.7032418388642017
Energy: 0.8892258529171146
Energy: 0.9963942159057263
Energy: 0.889225852921558
Energy: 0.6660184900090556
Energy: 0.8998546515273209
Energy: 0.6960470447086733
Energy: 0.8998546515266861
Energy: 0.6875842968206574
Energy: 0.7306372149443403
Energy: 0.597607105548955
Energy: 0.7306372149487839
Energy: 0.9101322559814407
Energy: 1.2342125131960187
Energy: 0.6899757064067276
Energy: 1.2342125141845401
Energy: 0.7842838088570582
Energy: 0.6870412868350505
Energy: 0.445159838084272
Energy: 0.687041286833146
Energy: 0.7609586015199015
Energy: 1.0173710005793308
Energy: 0.6973555464554553
Energy: 1.0173710351884868
Energy: 0.6992773392744215
Energy: 1.1260230163313718
Energy: 1.0090115753857805
Energy: 1.1312076831986433
Energy: 0.7680868770273442
Energy: 1.0212098348440133
Energy: 0.7844481600593032
Energy: 1.021209829946937
Energy: 0.7846081262723013
Energy: 1.1150353126282273
Energy: 0.829932123999716
Energy: 1.1150345763431508
Energy: 0.5166258026927113
Energy: 0.7274463316796029
Energy: 0.6857539426297574
Energy: 0.7274463316783333
Energy: 0.6991705301015539
Energy: 0.8350747991575792
Energy: 0.672226794673902
Energy: 0.8350747991537707
Energy: 0.8081004838430638
Energy: 1.1245329974519636
Energy: 0.6918048844459752
Energy: 1.1245330163916412
Energy: 0.7337101116215208
Energy: 1.1694524396004458
Energy: 0.646832154729372
Energy: 1.169452439604889
Energy: 0.7423373236380317
Energy: 0.9887404975726428
Energy: 0.6598473957575416
Energy: 0.9887404975104345
Energy: 0.6999135969388149
Energy: 0.9187460270441016
Energy: 0.6488082150073718
Energy: 0.9187459957247659
Energy: 0.6593092827980142
Energy: 0.8131685033318151
Energy: 0.6971869371806473
Energy: 0.8131685033311803
Energy: 0.6608385352461512
Energy: 1.107299353106463
Energy: 0.7230349369364143
Energy: 1.1072993539446
Energy: 0.6918664728269441
Energy: 1.2219576201324551
Energy: 0.8288916048702455
Energy: 1.2219576202745877
Energy: 0.6493085364510003
Energy: 0.9642573642847035
Energy: 0.763741014641619
Energy: 0.9642573642859731
Energy: 0.6609703845798883
Energy: 0.7370723705037036
Energy: 0.6759244174208967
Energy: 0.7370723705062427
Energy: 0.6863273521255215
Energy: 0.9100550257404199
Energy: 0.7223384543114763
Energy: 0.9100447832878548
Energy: 0.7835239176764778
Energy: 1.1654811976013473
Energy: 0.6026780929103693
Energy: 1.1655004130333846
Energy: 1.0106053902042635
Energy: 1.1707056934325604
Energy: 0.7005369960462935
Energy: 1.1707056934344648

minimum gb energy = 0.445159838084272 eV
minimum distance =  2.17977987758057 Angstroms
sigma value = 89


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

Energy: 0.6963284228307816
Energy: 0.6981912047170057
Energy: 0.7481825843665545
Energy: 0.6981912047170057
Energy: 0.6476998287550328
Energy: 0.7297588770500109
Energy: 0.6299410489761125
Energy: 0.7297588770500109
Energy: 0.6404417041642139
Energy: 1.112960792087457
Energy: 0.8777069443356139
Energy: 1.1129607920575606
Energy: 0.5622395554124685
Energy: 0.7265554340254737
Energy: 0.6382368275918222
Energy: 0.726555434023813
Energy: 0.6517857604332377
Energy: 1.0333017333005539
Energy: 0.9444477161687238
Energy: 1.033302165287723
Energy: 0.6343140487998754
Energy: 0.6555251290799102
Energy: 0.7002323552635651
Energy: 0.6555251290782492
Energy: 0.640376369644581
Energy: 0.8514756795209512
Energy: 0.6593794456318319
Energy: 0.8514756795209512
Energy: 0.48613205025284745
Energy: 0.8420449435773119
Energy: 0.6464195038788001
Energy: 0.8420449437018419
Energy: 0.6522845459137516
Energy: 0.7146528996990755
Energy: 0.558112700154266
Energy: 0.7146528997007365
Energy: 0.7288517338952567
Energy: 0.6410187577262942
Energy: 0.6712590717624415
Energy: 0.6410187573128798
Energy: 0.637734524570306
Energy: 0.7293948403189123
Energy: 0.6747264109193553
Energy: 0.7293948403189123
Energy: 0.6538320338361965
Energy: 0.8501027874222845
Energy: 0.6289629637411913
Energy: 0.8501027874239454
Energy: 0.6807242120778041
Energy: 1.019935848058765
Energy: 0.5590883651673341
Energy: 1.0199358625387211
Energy: 0.6724903455616835
Energy: 0.6993137820989803
Energy: 0.6724207142035599
Energy: 0.6993137820973194
Energy: 0.483047619535339
Energy: 1.032825174646794
Energy: 0.6805768392731103
Energy: 1.0328251899967247

minimum gb energy = 0.483047619535339 eV
minimum distance =  2.17689703353873 Angstroms
sigma value = 13


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

Energy: 0.6923082335158994
Energy: 1.0374297825416696
Energy: 0.0691473010804751
Energy: 1.037429782547935
Energy: 0.6744846044171943
Energy: 1.020543529679283
Energy: 0.6080323002021155
Energy: 1.0205435296764984
Energy: 0.6465829753830572
Energy: 1.0510130078522402
Energy: 0.294008217442
Energy: 1.0510130075516313
Energy: 0.5275623521382022
Energy: 1.0176441660116613
Energy: 0.620479264849632
Energy: 1.0176441686649282
Energy: 0.6415437012623767
Energy: 1.1339876385759209
Energy: 0.5864809417854286
Energy: 1.1339876385550365
Energy: 0.2584212296624181
Energy: 0.8694898091834735
Energy: 0.6550728316606069
Energy: 0.8694954621507626
Energy: 0.6409682355685759
Energy: 1.1680778545138706
Energy: 0.8254795012194689
Energy: 1.168079736588085
Energy: 0.13899845081636358
Energy: 1.0493228236316519
Energy: 0.6557209864239557
Energy: 1.0493228237708176
Energy: 0.6410046725581334
Energy: 1.0219836687013513
Energy: 0.6589937585852615
Energy: 1.0269877934458775
Energy: 0.19399900866738679
Energy: 0.884712221280612
Energy: 0.6209954005133654
Energy: 0.8847122123063997
Energy: 0.6412847008165519
Energy: 0.8635401062836913
Energy: 0.1697590094687468
Energy: 0.8635401061528789
Energy: 0.8239942685601055
Energy: 0.8718758164775059
Energy: 0.2549719453824908
Energy: 0.8718758164719367
Energy: 0.6875753898786637
Energy: 1.0042960395739557
Energy: 0.1321192295869698
Energy: 1.0042960510608132
Energy: 0.8714105663632798
Energy: 0.8661760675790481
Energy: 0.5472105498644066
Energy: 0.8661760696505264
Energy: 0.6379525866610176
Energy: 0.9935728420165956
Energy: 0.08154004936488563
Energy: 0.9935728233987946
Energy: 0.4694775739828763
Energy: 0.8774091237260164
Energy: 0.2985161475896931
Energy: 0.8774091237920871
Energy: 0.31531242059808806
Energy: 1.125365029826626
Energy: 0.309097259116516
Energy: 1.1253650270440025
Energy: 0.31818491344850897
Energy: 0.996904405205972
Energy: 0.5527631205540107
Energy: 0.9969044051990106
Energy: 0.3174546025089298
Energy: 0.9859609168475624
Energy: 0.5440322826360596
Energy: 0.985960912860416
Energy: 0.31395289428576595
Energy: 0.9902204394166323
Energy: 0.5471541872043642
Energy: 0.9902204394124554
Energy: 0.34154763685579725
Energy: 0.9984883586689305
Energy: 0.5536289806082555
Energy: 0.9984883586703228
Energy: 0.3216570221968865
Energy: 1.124767294639766
Energy: 0.25888480467091246
Energy: 1.1247672947726666
Energy: 0.4695916857702202
Energy: 0.8847893381533085
Energy: 0.31764512947067597
Energy: 0.8847893347430142
Energy: 0.6406468270550727
Energy: 0.994317379312922
Energy: 0.26865969201361695
Energy: 0.9943173794437341
Energy: 0.926797555499357
Energy: 0.8703724603225622
Energy: 0.5483408207992543
Energy: 0.870372464728599
Energy: 0.6878465786573945
Energy: 1.0184896179696168
Energy: 0.26197267424930953
Energy: 1.0184896179779706
Energy: 0.8235912474570621
Energy: 0.8693626462006603
Energy: 0.2582869705457099
Energy: 0.8693814570150626
Energy: 0.6416297668437918
Energy: 0.8604656006963367
Energy: 0.17182066293228102
Energy: 0.8604656007415862
Energy: 0.20366058476736631
Energy: 0.8483368635860599
Energy: 0.6209440066548265
Energy: 0.8500089439641018
Energy: 0.6411806261790529
Energy: 1.10533542314755
Energy: 0.7046942523103631
Energy: 1.1053354231489423
Energy: 0.13928205627463114
Energy: 0.8608234986857302
Energy: 0.6547651703168992
Energy: 0.8605983030949088
Energy: 0.6409677563983313
Energy: 1.1730792476455436
Energy: 0.9001098788104567
Energy: 1.1730792478668548
Energy: 0.2583834026989226
Energy: 0.8685025729517617
Energy: 0.6548452106740492
Energy: 0.8685025730575127
Energy: 0.6414648884339227
Energy: 1.1378903585878046
Energy: 0.5591300476371711
Energy: 1.137890358097971
Energy: 0.5300049754799243
Energy: 1.0385958535695752
Energy: 0.6203798023078104
Energy: 1.0385958533983863

minimum gb energy = 0.0691473010804751 eV
minimum distance =  2.17511360605896 Angstroms
sigma value = 37


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

Energy: 0.6191229208230633
Energy: 0.5801290257912026
Energy: 0.47486751713296516
Energy: 0.580129025790005
Energy: 0.7714127313162347
Energy: 0.868271570124849
Energy: 0.5161583567195883
Energy: 0.8682715701344305
Energy: 0.5457008758294103
Energy: 1.1207332683781221
Energy: 0.5362686424595884
Energy: 1.1207332683781221
Energy: 0.4541562981248394
Energy: 0.8812802441083473
Energy: 0.4427996774016117
Energy: 0.881280367834016
Energy: 0.5275288149121018
Energy: 0.8802091324138114
Energy: 0.4463388789727213
Energy: 0.8802092120431646
Energy: 0.3272289558647656
Energy: 0.880412549768289
Energy: 0.504969032898818
Energy: 0.8804125740730955
Energy: 0.5090961193407687
Energy: 1.2178213412135737
Energy: 0.772514322312479
Energy: 1.2178213412135737
Energy: 0.4480488813907649
Energy: 0.5905712829611107
Energy: 0.6187633278026822
Energy: 0.5905712829611107
Energy: 0.5277353689336113
Energy: 0.9252122097966597
Energy: 0.7788842524428099
Energy: 0.925212209795462
Energy: 0.5398022058673299
Energy: 0.8779401143634502
Energy: 0.5055247586031838
Energy: 0.8779405690797409
Energy: 0.5556821241441006
Energy: 1.2206066940506346
Energy: 0.41982954324966076
Energy: 1.2206066940506346
Energy: 0.8002756332890235
Energy: 0.8792467021789334
Energy: 0.4456311711220423
Energy: 0.8792467022399887
Energy: 0.5269525024347999
Energy: 0.9250676109898485
Energy: 0.33114267564211336
Energy: 0.9250676109898485
Energy: 0.7802362275606168
Energy: 1.2173770847955578
Energy: 0.43466894209471274
Energy: 1.217377084797953
Energy: 0.5966202859085857
Energy: 0.6570280015330289
Energy: 0.4238264058711459
Energy: 0.6570280015330289
Energy: 0.627309360295735
Energy: 0.9244682948348699
Energy: 0.44695384943175515
Energy: 0.9244682948348699
Energy: 0.44387562565066463
Energy: 1.1296666006231983
Energy: 0.1351951093536399
Energy: 1.1296666006231983
Energy: 0.4386082893626535
Energy: 1.2164587890144447
Energy: 0.4341421911494322
Energy: 1.2164587890132472
Energy: 0.46577097333749834
Energy: 0.873005836602906
Energy: 0.42244155612217593
Energy: 0.8730058366292553
Energy: 0.4242652858676792
Energy: 0.9262262747685771
Energy: 0.4260678781125786
Energy: 0.9262262747685771

minimum gb energy = 0.1351951093536399 eV
minimum distance =  2.31139567137522 Angstroms
sigma value = 25


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

Energy: 0.5216973152588028
Energy: 0.9292952253137167
Energy: 0.13039190830166136
Energy: 0.9292952252698028
Energy: 0.631290574936459
Energy: 0.9618689621249181
Energy: 0.4660375222155463
Energy: 0.9618689621230477
Energy: 0.4640465079516388
Energy: 0.45654246002675347
Energy: 0.1173994637396021
Energy: 0.4565424600276887
Energy: 0.3859039965155202
Energy: 0.9467628334899482
Energy: 0.4653159128487835
Energy: 0.9467628335544374
Energy: 0.45720799534229795
Energy: 0.9401793414639225
Energy: 0.2760854319176229
Energy: 0.9401793414181382
Energy: 0.13902330297501891
Energy: 0.9589904948808158
Energy: 0.46594634386722605
Energy: 0.9589904948798804
Energy: 0.46324065347939225
Energy: 0.7070882348507049
Energy: 0.5047054841746387
Energy: 0.7070882538744405
Energy: -0.14703454192270923
Energy: 0.7638255421606674
Energy: 0.462448661564755
Energy: 0.7638255419232007
Energy: 0.46683959108584483
Energy: 0.950617753446437
Energy: 0.7851203069515135
Energy: 0.9506177533865814
Energy: 0.14034068764401803
Energy: 0.9302109484380251
Energy: 0.5196391350838473
Energy: 0.9302109502001504
Energy: 0.4653565468607269
Energy: 0.708913765770776
Energy: 0.6541100139353052
Energy: 0.7089137629485103
Energy: 0.09402110119613222
Energy: 0.9680387246851079
Energy: 0.46218306488198924
Energy: 0.9680387246776259
Energy: 0.46621405808263583
Energy: 0.9487093363772776
Energy: 0.3517844476757163
Energy: 0.9487093363688603
Energy: 0.5377937408797678
Energy: 0.9207986343981122
Energy: 0.46641997018483916
Energy: 0.9207986344626014
Energy: 0.46509564714260065
Energy: 0.7017593665323041
Energy: 0.13899115254771763
Energy: 0.7017598163677009
Energy: 0.4351371620683882
Energy: 1.0100764973051695
Energy: 0.46274530458145835
Energy: 1.0100764973107383
Energy: 0.45577483303087574
Energy: 0.7483184075513747
Energy: -0.13398328252892844
Energy: 0.7483184101389796
Energy: 0.6676612404519345
Energy: 0.9479543236344034
Energy: 0.4668314927998149
Energy: 0.9479543230968934
Energy: 0.5282129582792104
Energy: 0.9282650155563602
Energy: 0.1389092772400597
Energy: 0.928265015441368
Energy: 0.6447586226422288
Energy: 0.9670117062260387
Energy: 0.4629612930699726
Energy: 0.9670117062194921
Energy: 0.4588206957530045
Energy: 1.0163744461137696
Energy: -0.2830405728965325
Energy: 1.0163744461147048
Energy: 0.3294690602595503
Energy: 0.9457185337930886
Energy: 0.465959578359837
Energy: 0.9457185337987001
Energy: 0.4641002247457898
Energy: 0.9406547676411194
Energy: 0.5095636577560901
Energy: 0.9406547676429899
Energy: 0.14194534116459206
Energy: 0.9691914575124762
Energy: 0.46298885738732914
Energy: 0.9691914575096703
Energy: 0.457500162238099
Energy: 1.0101162969244117
Energy: 0.43255332861467277
Energy: 1.0101162969019657
Energy: 0.0548366803337361
Energy: 0.7497759189614956
Energy: 0.4447611995402393
Energy: 0.7497759189643013

minimum gb energy = -0.2830405728965325 eV
minimum distance =  2.18089683775328 Angstroms
sigma value = 41


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

Energy: 0.8330365769180963
Energy: 0.8218497193995647
Energy: -0.24543265955275728
Energy: 0.8218497197252924
Energy: 0.41891644181796284
Energy: 0.8136514420999269
Energy: 0.347874923482468
Energy: 0.8136514423214118
Energy: 0.39677180472590634
Energy: 0.7835605750882965
Energy: -0.21538952016148774
Energy: 0.7835605869284917
Energy: 0.17303608248636632
Energy: 0.8081351126519225
Energy: 0.34662989823081514
Energy: 0.808135121646445
Energy: 0.3522353120687929
Energy: 0.8480035545648397
Energy: -0.038476363106079325
Energy: 0.8480035543356873
Energy: -0.022228335881586368
Energy: 0.8130163718249304
Energy: 0.34865853750889514
Energy: 0.8130163717996626
Energy: 0.36626227366083314
Energy: 0.7914348012404268
Energy: 0.03750474350508477
Energy: 0.7914346239003159
Energy: -0.3680395809614942
Energy: 0.6646441646194109
Energy: 0.35417183856680945
Energy: 0.6646441646270783
Energy: 0.348477603612996
Energy: 0.8568796084542935
Energy: 0.10368435413645774
Energy: 0.8568796084611943
Energy: -0.02334831446141412
Energy: 0.7989400832606239
Energy: 0.40453156686347036
Energy: 0.7989400911975247
Energy: 0.3647129252395492
Energy: 0.827137655826952
Energy: 0.3215030443436684
Energy: 0.8271376558215847
Energy: -0.3675766311258371
Energy: 0.8369106202395953
Energy: 0.8369699505690378
Energy: 0.8369106202357617
Energy: 0.3487241931808673
Energy: 0.8391703222223614
Energy: 0.3740004514352666
Energy: 0.8391703221012852
Energy: -0.3502785948468434
Energy: 0.8832109781959274
Energy: 0.40443049426787303
Energy: 0.8832109781943939
Energy: 0.36511083112666753
Energy: 0.7847577916528994
Energy: 0.2244334003340717
Energy: 0.7847577919295902
Energy: -0.13513927425043346
Energy: 0.8662519083944158
Energy: 0.35444345967714475
Energy: 0.866251908379081
Energy: 0.348828954122211
Energy: 0.8639239856769421
Energy: -0.019660650697523267
Energy: 0.8639239856746419
Energy: -0.10560502811703676
Energy: 0.8385639711649864
Energy: 0.348845546840112
Energy: 0.8385639711649864
Energy: 0.35399997225453794
Energy: 0.639077906510638
Energy: -0.3705189886503624
Energy: 0.6390779061343399
Energy: 0.09481595198462432
Energy: 0.8519002621448019
Energy: 0.3498549062443843
Energy: 0.8519002621946056
Energy: 0.404834197077758
Energy: 0.8386202445932744
Energy: -0.036179185635100655
Energy: 0.8386202446024753
Energy: 0.2857686027941375
Energy: 0.8795965330762184
Energy: 0.34898945687464455
Energy: 0.8795965331014861
Energy: 0.8362359904919056
Energy: 0.8261389680776732
Energy: -0.3704166488652865
Energy: 0.8261389680807403
Energy: 0.4526606476331452
Energy: 0.8417035787228906
Energy: 0.3504869877278849
Energy: 0.8417035783412254
Energy: 0.4059863578189768
Energy: 0.8386906747777845
Energy: -0.09747050369723724
Energy: 0.8386906747831168
Energy: 0.22914513821027643
Energy: 0.8788353819105488
Energy: 0.349429648766533
Energy: 0.8788353819120823
Energy: 0.36386204714411696
Energy: 0.8543462218778599
Energy: -0.14359540784944372
Energy: 0.8543462151649295
Energy: -0.1159635613449779
Energy: 0.8405890427165286
Energy: 0.3495924872279516
Energy: 0.8405890427264961
Energy: 0.34985989389807387
Energy: 0.8345162494412232
Energy: -0.16727519787693504
Energy: 0.8345162494726248
Energy: -0.3605629814289651
Energy: 0.8752253690426978
Energy: 0.36672786895898524
Energy: 0.8752253690472983
Energy: 0.35143174507613706
Energy: 0.8564230606484462
Energy: 0.4402976398873862
Energy: 0.8564230606668481
Energy: 0.09099128411931628
Energy: 0.8394123969650646
Energy: 0.40634821089660655
Energy: 0.8394123969405636

minimum gb energy = -0.3705189886503624 eV
minimum distance =  2.17068521317004 Angstroms
sigma value = 15


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

Energy: 0.7438827377016779
Energy: 0.753723657907073
Energy: -0.5587311824853413
Energy: 0.7537236579090217
Energy: 0.19262854487221404
Energy: 0.7556705236784836
Energy: 0.32056938490393816
Energy: 0.7556705236687405
Energy: 0.36363477816259254
Energy: 0.7093218210708467
Energy: -0.7319565899091989
Energy: 0.7093218210708467
Energy: 0.009993935784976328
Energy: 0.7242543932000599
Energy: 0.3192511767160155
Energy: 0.724254392776736
Energy: 0.32922561877681195
Energy: 0.7544532789875615
Energy: -0.38606916393715957
Energy: 0.7544532789836643
Energy: -0.17971964118762312
Energy: 0.7608979817260515
Energy: 0.3205353311659543
Energy: 0.7608979880238294
Energy: 0.3220218660994939
Energy: 0.7458898748664712
Energy: -0.2937997951116834
Energy: 0.7458898750086617
Energy: -0.4458081898850386
Energy: 0.7182788764094458
Energy: 0.319077022110273
Energy: 0.7182788763568919
Energy: 0.3200390637227826
Energy: 0.7676480453364427
Energy: -0.17895182620439914
Energy: 0.7676480453344943
Energy: 0.013863136187614422
Energy: 0.7495808288665498
Energy: 0.31852299331450346
Energy: 0.7495808288678488
Energy: 0.3194603129224104
Energy: 0.7494256909303743
Energy: 0.028967814636387732
Energy: 0.7494256909342716
Energy: -0.1837416282102239
Energy: 0.7188053894286809
Energy: 0.3613982594095902
Energy: 0.7188053880184672
Energy: 0.32078120653826137
Energy: 0.7634605701275232
Energy: 0.052252064434592994
Energy: 0.7634605701255746
Energy: 0.012430802310104417
Energy: 0.75190348163518
Energy: 0.7454438955913516
Energy: 0.7519034816357705
Energy: 0.32052150338807883
Energy: 0.7334567874916211
Energy: 0.20364102542718263
Energy: 0.733456785282176
Energy: -0.7133671558960535
Energy: 0.6774909885195901
Energy: 0.3616473322733109
Energy: 0.6774742727312237
Energy: 0.32114133498440695
Energy: 0.7660312926357116
Energy: 0.0602083233572627
Energy: 0.7660312926370106
Energy: 0.023353277646800737
Energy: 0.7600862696924172
Energy: 0.31807182171964826
Energy: 0.7600862696885199
Energy: 0.3189902010750757
Energy: 0.7561772007458015
Energy: -0.1597046152619405
Energy: 0.7561772007386567
Energy: 0.012341998169274828
Energy: 0.7060848360840224
Energy: 0.3208230973658556
Energy: 0.7060848266490771
Energy: 0.3214356272759172
Energy: 0.7855649597402103
Energy: -0.37312194502840274
Energy: 0.7855649597298177
Energy: -0.3148359824246259
Energy: 0.7667486729617845
Energy: 0.312189782495476
Energy: 0.7667486729669809
Energy: 0.31966031441324616
Energy: 0.72807102122015
Energy: 0.015202609220554514
Energy: 0.7280710212259959
Energy: 0.02566934288610754
Energy: 0.7608975987387551
Energy: 0.31921406665449525
Energy: 0.760897598682304
Energy: 0.3568147609696029
Energy: 0.7741421352769463
Energy: -0.175520404683917
Energy: 0.7741421352873391
Energy: 0.18990566845375087
Energy: 0.7628148772976697
Energy: 0.31319605214375007
Energy: 0.7628148772957212
Energy: 0.7486508916169665
Energy: 0.7824626074436504
Energy: 0.006001431034052285
Energy: 0.7824626074449496
Energy: 0.19249697712006042
Energy: 0.7100224718287655
Energy: 0.3191799933031909
Energy: 0.7100224712223888
Energy: 0.35680778883001485
Energy: 0.7746330565766603
Energy: -0.17839857633561254
Energy: 0.7746330567123554
Energy: 0.040927762184175355
Energy: 0.7637422245125326
Energy: 0.3125475483366129
Energy: 0.7637422245112335
Energy: 0.3205134731579961
Energy: 0.7496710728689925
Energy: 0.08065692117669557
Energy: 0.7496710728631467
Energy: -0.14271138182017865
Energy: 0.7258010726414017
Energy: 0.31878261807446834
Energy: 0.7258010726465981
Energy: 0.32040220835309957
Energy: 0.8064854206692635
Energy: -0.49871366430685743
Energy: 0.8064854206705626
Energy: 0.07286137938119669
Energy: 0.7556901311806135
Energy: 0.31291059230540863
Energy: 0.755690131172819
Energy: 0.27460108891890533
Energy: 0.7472423123173421
Energy: 0.32646177917157515
Energy: 0.7472423123140943
Energy: -0.010313353556756813
Energy: 0.7271980657326453
Energy: 0.3196246855948639
Energy: 0.727198065751482
Energy: 0.3195463913210428
Energy: 0.805199559291852
Energy: 0.05074379159397795
Energy: 0.8051995592931511

minimum gb energy = -0.7319565899091989 eV
minimum distance =  2.22410612071258 Angstroms
sigma value = 85


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

Energy: 0.7616916623701453
Energy: 0.7384278819865623
Energy: -0.475419372505402
Energy: 0.7384278819814921
Energy: 1.068833038010161
Energy: 0.6772668918905846
Energy: 0.27895415414212316
Energy: 0.6772663462600381
Energy: 0.7253744940097597
Energy: 0.6789187491231573
Energy: -0.15977889793619915
Energy: 0.6789187491434379
Energy: 0.8416555704983063
Energy: 0.6773763673208204
Energy: 0.27903990676901136
Energy: 0.6773763672583143
Energy: 0.4447544432402573
Energy: 0.6516238822341255
Energy: -0.054765944043541556
Energy: 0.651623882230182
Energy: 0.48712214533470327
Energy: 0.6837041422037435
Energy: 0.2835927867914096
Energy: 0.6837041422606162
Energy: 0.39373448744388756
Energy: 0.6625826407474016
Energy: 0.1460105878878834
Energy: 0.6625826409833422
Energy: 0.33243352500111834
Energy: 0.6874739825399895
Energy: 0.29622915640335923
Energy: 0.6874739826999038
Energy: 0.297071107377392
Energy: 0.6184033626846751
Energy: 0.3191344551996693
Energy: 0.6184033603466762
Energy: 0.10704816281081712
Energy: 0.6893495956584104
Energy: 0.3840294522956163
Energy: 0.6893495956133681
Energy: 0.28507231112842546
Energy: 0.6819839327132824
Energy: 0.4799423682575808
Energy: 0.6819839327172259
Energy: -0.059847832478720976
Energy: 0.7174637776624597
Energy: 0.4402376329297074
Energy: 0.7174637776872215
Energy: 0.2725101552954421
Energy: 0.6181938521987774
Energy: 0.5866031232848526
Energy: 0.618193854454553
Energy: -0.29824295269296186
Energy: 0.6897087647266775
Energy: 0.7257890435091958
Energy: 0.6897087648241113
Energy: 0.2844064213227628
Energy: 0.6927246660789887
Energy: 0.9757262777182549
Energy: 0.6927246660750455
Energy: -0.4587143450796604
Energy: 0.6401780265189213
Energy: 0.6989574811312083
Energy: 0.6401780265059641
Energy: 0.27227228506290213
Energy: 0.638113542272862
Energy: 0.9100642374577773
Energy: 0.638113537833957
Energy: -0.3620757046948298
Energy: 0.6920185929226377
Energy: 0.7259643627632741
Energy: 0.6920185928916536
Energy: 0.2846239147110406
Energy: 0.6792955324503229
Energy: 0.8434960962383045
Energy: 0.6792955323737331
Energy: 0.050738263501659796
Energy: 0.7198924379822836
Energy: 0.4405679095292264
Energy: 0.7198924379789037
Energy: 0.2790966565328317
Energy: 0.6051019606243271
Energy: 0.44218616645784675
Energy: 0.6051019606282706
Energy: 0.07921868349744154
Energy: 0.6230229403012632
Energy: 0.38308305491729505
Energy: 0.6216076952545512
Energy: 0.2982560247515258
Energy: 0.697007361665973
Energy: 0.2821813906220363
Energy: 0.697007361699774
Energy: 0.2783335695809511
Energy: 0.7405081825181982
Energy: 0.2968564608588472
Energy: 0.7405081825153814
Energy: 0.380778995904157
Energy: 0.5894368248178201
Energy: 0.11702773535433089
Energy: 0.5894368143492676
Energy: 0.4984936947345913
Energy: 0.7006141234362482
Energy: 0.2853341480585906
Energy: 0.7006141234638522
Energy: 0.44211785977411355
Energy: 0.7109054328537922
Energy: -0.10923207583978253
Energy: 0.7109054328684392
Energy: 0.76345172262757
Energy: 0.7301149400169736
Energy: 0.27857714148216484
Energy: 0.7301149400552813
Energy: 0.7282957491727533
Energy: 0.6581932784283386
Energy: -0.28210540276968255
Energy: 0.6581932754202623
Energy: 0.9788083078962296
Energy: 0.6744774381459481
Energy: 0.2846501121585833
Energy: 0.6744774381048236
Energy: 0.7651418742270406
Energy: 0.7347846549249539
Energy: -0.4070044897293164
Energy: 0.7347846549215736
Energy: 0.8934692331760554
Energy: 0.7391652073994837
Energy: 0.2782976631853326
Energy: 0.73916520739385
Energy: 0.7272718891213097
Energy: 0.667190953068316
Energy: -0.5152019856150258
Energy: 0.6671909522765809
Energy: 0.8399647003940062
Energy: 0.6886617936702039
Energy: 0.28503096360472013
Energy: 0.6886617934489103
Energy: 0.44083525742664303
Energy: 0.7135602691496002
Energy: 0.02601735303342933
Energy: 0.7135602691439668
Energy: 0.4624757320474784
Energy: 0.7394964508758598
Energy: 0.2784374202160577
Energy: 0.739496450856706
Energy: 0.3781301546837224
Energy: 0.6304967247039551
Energy: 0.10439339031689546
Energy: 0.6311559067092941
Energy: 0.27032005491012856
Energy: 0.6830423426542177
Energy: 0.29592692961098804
Energy: 0.6830423426564711
Energy: 0.2976909466392644
Energy: 0.7311702194048976
Energy: 0.3625845774007521
Energy: 0.7311702194026698
Energy: 0.06679159058099882
Energy: 0.736288316492422
Energy: 0.40163049925853295
Energy: 0.7362883164969287
Energy: 0.28280891967511657
Energy: 0.6931709134796245
Energy: 0.6974274505994567
Energy: 0.6931709134846946
Energy: -0.0553490619855827
Energy: 0.702990514566531
Energy: 0.440977108643019
Energy: 0.7029905145670944
Energy: 0.28184353305657533
Energy: 0.731529719037874
Energy: 0.7675991454306031
Energy: 0.7315297190373108

minimum gb energy = -0.5152019856150258 eV
minimum distance =  2.21611054468167 Angstroms
sigma value = 113


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

Energy: 0.017133799100187443
Energy: 0.01945657635489838
Energy: 0.5342005721406395
Energy: 0.01945657635489838
Energy: 0.5330550833198464
Energy: -5.251905407953686
Energy: -5.251865330609448
Energy: -5.251905407954961
Energy: 0.01713379910100547
Energy: 0.019456576357015632
Energy: -0.33449346419933523
Energy: 0.019456576355716407
Energy: 0.5330550833210975
Energy: -5.251905407953686
Energy: -5.2518653306073295
Energy: -5.251905407954961
Energy: 0.01713379910100547
Energy: 0.01945657635489838
Energy: 0.5341705334307348
Energy: 0.019456576355331455
Energy: 0.5330550833219637
Energy: -5.251905407954094
Energy: -5.251865330610291
Energy: -5.251905407955371

minimum gb energy = -5.251905407955371 eV
minimum distance =  2.45604545965181 Angstroms
sigma value = 1