Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.604343503713608
cohesive_energy=4.246784762046966
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: 0.01651034906616758
Energy: 0.01705245240885771
Energy: 0.01678863509586213
Energy: 0.01705245240885771
Energy: 0.01705245240885771
Energy: 1.275782056118584
Energy: 0.017052452409488644
Energy: 1.275782056118584
Energy: 0.01678863509586213
Energy: 0.01705245240885771
Energy: 0.01651034906616758
Energy: 0.017052452409488644
Energy: 0.01705245240885771
Energy: 1.275782056118584
Energy: 0.01705245240885771
Energy: 1.2757820561179531

minimum gb energy = 0.01651034906616758 eV
minimum distance =  2.47615928307262 Angstroms
sigma value = 1


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

Energy: 0.9551416972705491
Energy: 1.1079800738510783
Energy: 0.8153470905378368
Energy: 1.1079800738503132
Energy: 0.9204805297739046
Energy: 1.0338610298871338
Energy: 0.9188814026091998
Energy: 1.0338610298878992
Energy: 0.901585059490859
Energy: 1.0971758629668193
Energy: 0.9111144150696134
Energy: 1.0971758629660544
Energy: 0.903692762339651
Energy: 1.1136896440218798
Energy: 0.9172738209230192
Energy: 1.1136896440218798
Energy: 0.9085787005523637
Energy: 1.1108655294659824
Energy: 0.9168457588727761
Energy: 1.1108655294659824
Energy: 0.863893754902266
Energy: 1.2897397077360597
Energy: 0.9018210365203184
Energy: 1.289739707736825
Energy: 0.9238852842703722
Energy: 1.0967505345767141
Energy: 0.8653789778920148
Energy: 1.0967505345774793
Energy: 0.7896433861745619
Energy: 1.1092911500999512
Energy: 0.8917844932205006
Energy: 1.1092911500999512
Energy: 0.9138609410820133
Energy: 1.25864812613963
Energy: 0.9174693090013503
Energy: 1.2586481261411606
Energy: 0.9037483498103163
Energy: 1.0969694770802152
Energy: 0.7758931793003018
Energy: 1.0969694770809801
Energy: 0.9140397134007346
Energy: 1.0319725201469687
Energy: 0.9143273662384048
Energy: 1.0319725201462036
Energy: 0.8663044057277337
Energy: 1.1096184770106319
Energy: 0.9179087223570813
Energy: 1.1096184770106319
Energy: 0.918851015386192
Energy: 1.0961688703824746
Energy: 0.9240825720055496
Energy: 1.0961688703832397
Energy: 0.923745784277101
Energy: 1.0993235525491603
Energy: 0.912693513368701
Energy: 1.0993235525499256
Energy: 0.9164120034006464
Energy: 1.1081494246211385
Energy: 0.9129928252830888
Energy: 1.1081494246211385
Energy: 0.9057823273030452
Energy: 1.108327105708218
Energy: 0.9211406620729489
Energy: 1.108327105708218
Energy: 0.9115472136336815
Energy: 1.0970402100304446
Energy: 0.8523122938404492
Energy: 1.0970402100312098
Energy: 0.9192673253398652
Energy: 1.0226311679190858
Energy: 0.9210689463116929
Energy: 1.0226311679183209
Energy: 0.7752522354934951
Energy: 1.1104395454011848
Energy: 0.9202166952323517
Energy: 1.1104395454004194
Energy: 0.921769178723981
Energy: 0.916723059205159
Energy: 0.9157187808229124
Energy: 0.9167230592066892
Energy: 0.9017633499939278
Energy: 1.0967474912940216
Energy: 0.841503351146083
Energy: 1.096747491294787
Energy: 0.916533239541361
Energy: 1.2207471123366278
Energy: 0.9056526141058765
Energy: 1.2207471123358626
Energy: 0.9178158319732472
Energy: 1.1110007410037943
Energy: 0.850021386820917
Energy: 1.1110007410045597
Energy: 0.905438803994044
Energy: 1.0965015782189478
Energy: 0.8638700982599677
Energy: 1.0965015782181826
Energy: 0.8645441756550833
Energy: 1.2894996090294584
Energy: 0.9241575094476013
Energy: 1.2894996090294584
Energy: 0.9046422764777023
Energy: 1.1086795078055822
Energy: 0.8474140878675878
Energy: 1.108679507804817
Energy: 0.9156786739403756
Energy: 1.2983364909169448
Energy: 0.9133188482267288
Energy: 1.2983364909169448
Energy: 0.8368778219262913
Energy: 1.0957565089137948
Energy: 0.9114126906702179
Energy: 1.0957565089137948
Energy: 0.9194654400699679
Energy: 1.1032454229261939
Energy: 0.9138088637001472
Energy: 1.1032454229261939
Energy: 0.9221631197374646
Energy: 1.1088305464838812
Energy: 0.8663217208649009
Energy: 1.1088305464838812
Energy: 0.9256899951983938
Energy: 1.1005953224961758
Energy: 0.9186301538526126
Energy: 1.1005953224946454
Energy: 0.9112230161834904
Energy: 1.0975734561183141
Energy: 0.9136611558820422
Energy: 1.0975734561190793
Energy: 0.9081126029506529
Energy: 1.1128547703157712
Energy: 0.9203177302702488
Energy: 1.1128547703150058

minimum gb energy = 0.7752522354934951 eV
minimum distance =  2.2399346326367 Angstroms
sigma value = 1


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

Energy: 1.0385908988064523
Energy: 1.1921676227640245
Energy: 0.8768297304172645
Energy: 1.1921676227614073
Energy: 0.9772365448804536
Energy: 1.1124660727529252
Energy: 0.977800494551907
Energy: 1.11246607275118
Energy: 0.8982098905801983
Energy: 1.1912169532303403
Energy: 0.9933158373066051
Energy: 1.1912169532285952
Energy: 0.9802699732707636
Energy: 1.0972479863080942
Energy: 0.9283156496180457
Energy: 1.0972479863089664
Energy: 0.9791800329606978
Energy: 1.17127443969809
Energy: 0.9806601868171363
Energy: 1.1712744396954726
Energy: 0.9559505137225612
Energy: 1.1712875139599328
Energy: 0.9476465416882237
Energy: 1.1712875139608052
Energy: 0.9814408472534751
Energy: 0.9864643780095911
Energy: 0.988364163416503
Energy: 0.9864643780087187
Energy: 0.8301689938200145
Energy: 1.19156301956977
Energy: 0.9066891198989325
Energy: 1.1915630195680254
Energy: 0.9822239195458755
Energy: 0.9909856594950424
Energy: 0.9771500699312295
Energy: 0.99098565949417
Energy: 0.9835374582041722
Energy: 1.1914765095334066
Energy: 0.8768938230886529
Energy: 1.1914765095351516
Energy: 0.9817084740800492
Energy: 1.0925113167369174
Energy: 0.9872932725071487
Energy: 1.0925113167377898
Energy: 0.9067885074858997
Energy: 1.181166497286675
Energy: 0.9932034260334855
Energy: 1.1811664972875475
Energy: 0.9860990425408374
Energy: 1.17197851496141
Energy: 0.9765732325556071
Energy: 1.1719785149605373
Energy: 0.9966155387647542
Energy: 1.1720217527177017
Energy: 0.9805673045602435
Energy: 1.1720217527194465
Energy: 0.9067680333284301
Energy: 1.1811542632526026
Energy: 0.9931434654132973
Energy: 1.1811542632526026
Energy: 0.9815855578838427
Energy: 1.0925318181391803
Energy: 0.9882587714262092
Energy: 1.0925318181417976
Energy: 0.9835481578240285
Energy: 1.1913968890982292
Energy: 0.8473447505841372
Energy: 1.1913968890982292
Energy: 0.982101452578448
Energy: 0.9905533666863039
Energy: 0.9771399784224822
Energy: 0.990553366682814
Energy: 0.8301928895077352
Energy: 1.191563892236262
Energy: 0.9368658704949185
Energy: 1.1915638922353895
Energy: 0.9813364220531728
Energy: 0.9864979945713036
Energy: 0.9254261883226607
Energy: 0.986497994572176
Energy: 0.9559966177942245
Energy: 1.1710723064001312
Energy: 0.9797138841113908
Energy: 1.1710723064010036
Energy: 0.9801477164119609
Energy: 1.1712299761060567
Energy: 0.9721320464695404
Energy: 1.1712299761078016
Energy: 0.9765185394095963
Energy: 1.0974687529998428
Energy: 0.9886336876336692
Energy: 1.0974687529989704
Energy: 0.8980862495806037
Energy: 1.19128685627277
Energy: 0.9931822690149448
Energy: 1.1912868562718975
Energy: 0.9778387908389804
Energy: 1.1124145922187105
Energy: 0.977721435801405
Energy: 1.1124145922169657
Energy: 1.0385908988090695
Energy: 1.1921676227631521
Energy: 0.8999063908270571
Energy: 1.1921676227605347
Energy: 0.977236544883071
Energy: 1.1124660727529252
Energy: 0.9778004945536517
Energy: 1.11246607275118
Energy: 0.8982098905801983
Energy: 1.1912169532294679
Energy: 0.9730096520604111
Energy: 1.1912169532285952
Energy: 0.9802699732725083
Energy: 1.0972479863072215
Energy: 0.9179932635424468
Energy: 1.0972479863098388

minimum gb energy = 0.8301689938200145 eV
minimum distance =  2.24454711288788 Angstroms
sigma value = 25


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

Energy: 1.1080426926057956
Energy: 1.2700135764371039
Energy: 0.9521399349320132
Energy: 1.2700135764371039
Energy: 1.074343998115282
Energy: 1.1837146117197108
Energy: 1.0678546283142516
Energy: 1.183714611720725
Energy: 0.9752042846940207
Energy: 1.2979939495031267
Energy: 1.073590974066536
Energy: 1.2979939495031267
Energy: 1.054893069034388
Energy: 1.2073575242209111
Energy: 0.9995906347031558
Energy: 1.2073575242209111
Energy: 1.000018731586262
Energy: 1.2684479586634663
Energy: 1.0203650316331596
Energy: 1.2684479586644806
Energy: 1.0511129200771923
Energy: 1.2978392934896934
Energy: 1.0700514741396832
Energy: 1.2978392934907077
Energy: 1.0722994817516973
Energy: 1.0770431258474396
Energy: 1.032121606665911
Energy: 1.0770431258474396
Energy: 0.9839496654825655
Energy: 1.274107235725624
Energy: 0.9293939203825665
Energy: 1.274107235725624
Energy: 1.0325547174545913
Energy: 1.1837825800958557
Energy: 1.074720151429074
Energy: 1.1837825800958557
Energy: 1.0769330184767143
Energy: 1.2982998996430721
Energy: 0.9878862995706948
Energy: 1.2982998996430721
Energy: 1.0595037595894987
Energy: 1.2697443254515908
Energy: 1.0656256458422542
Energy: 1.2697443254515908
Energy: 1.0032233877438321
Energy: 1.2710022488046808
Energy: 1.067957095996015
Energy: 1.2710022488046808
Energy: 1.0730808423421516
Energy: 1.2034827171305371
Energy: 0.9876286622653896
Energy: 1.2034827171305371
Energy: 1.0294498688163936
Energy: 1.0705659608353781
Energy: 1.0732947219710511
Energy: 1.0705659608363922
Energy: 0.917694640315814
Energy: 1.2699834689148504
Energy: 0.927106956975357
Energy: 1.2699834689138363
Energy: 1.0701625453544372
Energy: 1.0761776126618268
Energy: 1.0049011510915704
Energy: 1.076177612662841
Energy: 0.8971360367197089
Energy: 1.2982441731558898
Energy: 0.8975934453870766
Energy: 1.2982441731558898
Energy: 1.00012154068568
Energy: 1.1957990013775088
Energy: 1.0499500616428143
Energy: 1.1957990013795374
Energy: 1.0539158067193966
Energy: 1.2025319482011447
Energy: 1.0011588033708185
Energy: 1.2025319482011447
Energy: 1.0694883949246115
Energy: 1.2977594129588657
Energy: 1.074496698935721
Energy: 1.2977594129588657
Energy: 1.0847749459293514
Energy: 1.1833010036739562
Energy: 1.0687810028626632
Energy: 1.183301003672942
Energy: 1.1046151918502467
Energy: 1.2715480996267046
Energy: 1.0228071334443052
Energy: 1.2715480996277186
Energy: 1.068361566436296
Energy: 1.1918303574039948
Energy: 1.0686354976983228
Energy: 1.1918303574039948
Energy: 0.9717018961168903
Energy: 1.3028002986935165
Energy: 1.0764436638773645
Energy: 1.3028002986935165
Energy: 1.0673556641904764
Energy: 1.012962297132549
Energy: 1.0041049459574103
Energy: 1.012962297132549

minimum gb energy = 0.8971360367197089 eV
minimum distance =  2.2482837859339 Angstroms
sigma value = 9


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

Energy: 1.2555483540275303
Energy: 1.2069088652379723
Energy: 1.0426921176904143
Energy: 1.2069088652379723
Energy: 1.1319400674306546
Energy: 1.298000998585429
Energy: 1.17560166641738
Energy: 1.298000998586639
Energy: 1.0614809752544783
Energy: 1.1967531250485839
Energy: 1.0933404348663305
Energy: 1.1967531250485839
Energy: 1.201245780262053
Energy: 1.2980618137151534
Energy: 1.021951484103015
Energy: 1.2980618137151534
Energy: 1.1649116108780126
Energy: 1.2956588976143557
Energy: 1.1068043004132477
Energy: 1.2956588976155654
Energy: 0.9735628947359156
Energy: 1.1915603266144792
Energy: 1.102447832241682
Energy: 1.1915603266156891
Energy: 1.2064421250138861
Energy: 1.022452705368538
Energy: 1.0281043562070225
Energy: 1.0224527053673282
Energy: 1.0423223900800915
Energy: 1.1913139338364633
Energy: 1.0196832697713534
Energy: 1.1913139338364633
Energy: 1.1977768438220555
Energy: 1.2980964138565636
Energy: 1.1732028540715136
Energy: 1.2980964138553537
Energy: 1.2029912862717989
Energy: 1.2102512537435839
Energy: 1.1016810043882777
Energy: 1.2102512537447938
Energy: 1.0880323202200186
Energy: 1.340119351299394
Energy: 1.0928473348657943
Energy: 1.340119351299394
Energy: 1.2013980443095627
Energy: 1.2095228549138992
Energy: 1.021816272120787
Energy: 1.209522854915109
Energy: 0.9753784921608232
Energy: 1.1980184935665938
Energy: 0.9739380732774281
Energy: 1.1980184935665938
Energy: 1.0907050513895031
Energy: 1.1982351520867218
Energy: 1.1791919246676454
Energy: 1.1982351520867218
Energy: 0.9753708765524306
Energy: 1.1981092664682673
Energy: 1.0425633606543578
Energy: 1.1981092664682673
Energy: 1.199995308003778
Energy: 1.2086076714068597
Energy: 1.0220255510790561
Energy: 1.2086076714068597
Energy: 1.088276427002799
Energy: 1.3400352049081288
Energy: 1.092838704360938
Energy: 1.3400352049093387
Energy: 1.2030306541509566
Energy: 1.2260224925134173
Energy: 1.101964388075254
Energy: 1.2260224925122072
Energy: 1.1975212966060858
Energy: 1.2980417268114095
Energy: 1.1064608410953374
Energy: 1.2980417268101994
Energy: 1.0423193960214479
Energy: 1.191213258200466
Energy: 1.0202049941820925
Energy: 1.191213258200466
Energy: 1.206433874526686
Energy: 1.022565959033331
Energy: 1.0280819145413282
Energy: 1.022565959032121

minimum gb energy = 0.9735628947359156 eV
minimum distance =  2.30796095929804 Angstroms
sigma value = 25


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

Energy: 1.113015908976577
Energy: 1.4426609580722767
Energy: 1.160034360920332
Energy: 1.4426609580722767
Energy: 1.0883345959551796
Energy: 1.2938028359838567
Energy: 1.0652118063922866
Energy: 1.2938028359838567
Energy: 1.0678498084984593
Energy: 1.4707359037201853
Energy: 1.0649887346372984
Energy: 1.4707359037201853
Energy: 1.1077149909295652
Energy: 1.4433109643219522
Energy: 1.1447315853186018
Energy: 1.4433109643219522
Energy: 1.1477354693044601
Energy: 1.086040083248999
Energy: 1.163164116220576
Energy: 1.086040083248999
Energy: 1.0715936844399503
Energy: 1.467710623849525
Energy: 1.0667433197627523
Energy: 1.467710623849525
Energy: 1.1132736383868524
Energy: 1.275279355098234
Energy: 1.0660347500491187
Energy: 1.275279355098234
Energy: 1.1439267480693471
Energy: 1.4400001591177836
Energy: 1.1058480367189516
Energy: 1.4400001591162872
Energy: 1.0649153964822107
Energy: 1.2836213093411917
Energy: 1.0894874305058007
Energy: 1.2836213093411917
Energy: 1.2022868684205867
Energy: 1.3073585199558309
Energy: 1.0674997148375565
Energy: 1.3073585199543347
Energy: 1.09820199564544
Energy: 1.442091832102757
Energy: 1.2158085981384097
Energy: 1.442091832102757
Energy: 1.0652110234744285
Energy: 1.1201617935284427
Energy: 1.2088681151045715
Energy: 1.1201617935284427
Energy: 1.1614476832987461
Energy: 1.4712342330782093
Energy: 1.0672129639939731
Energy: 1.4712342330782093
Energy: 1.0655554121948967
Energy: 1.442146760441092
Energy: 1.1073643609241133
Energy: 1.442146760441092
Energy: 1.0649349786418176
Energy: 1.4417895823524933
Energy: 1.1480138284837935
Energy: 1.4417895823524933
Energy: 1.086715106464293
Energy: 1.3072968879959197
Energy: 1.0702493859696431
Energy: 1.3072968879959197
Energy: 1.0658011278919104
Energy: 1.1706055240269535
Energy: 1.205420194339979
Energy: 1.1706055240269535

minimum gb energy = 1.0649153964822107 eV
minimum distance =  2.29524178950411 Angstroms
sigma value = 17


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

Energy: 1.2869266102126136
Energy: 1.282892563710325
Energy: 1.2626627952731717
Energy: 1.282892563710325
Energy: 1.2515525053576395
Energy: 1.2601469315412637
Energy: 1.1105918375457973
Energy: 1.260146931542111
Energy: 1.1841717253671509
Energy: 1.2651393645097064
Energy: 1.1102174784541172
Energy: 1.2651393645105538
Energy: 1.1147195992651893
Energy: 1.278178597011899
Energy: 1.2481516088352451
Energy: 1.2781785970110513
Energy: 1.2298483026612073
Energy: 1.36772510760227
Energy: 1.1742632833448203
Energy: 1.36772510760227
Energy: 1.135443633362323
Energy: 1.2773306077750344
Energy: 1.1606873356836651
Energy: 1.2773306077750344
Energy: 1.1166923477343316
Energy: 1.2584658006331877
Energy: 1.1144907983240337
Energy: 1.2584658006331877
Energy: 1.1632614512864248
Energy: 1.2849875243669664
Energy: 1.1281205083142116
Energy: 1.2849875243669664
Energy: 1.13000693397059
Energy: 1.3304959787988293
Energy: 1.2117364548902871
Energy: 1.3304959787988293
Energy: 1.2658111257769578
Energy: 1.2311114361108557
Energy: 1.1114288856181562
Energy: 1.2311114361108557
Energy: 1.1183530050033044
Energy: 1.283734381750256
Energy: 1.1884347685574335
Energy: 1.2837343817511035
Energy: 1.1315187090503604
Energy: 1.258675152691933
Energy: 1.1319591130388122
Energy: 1.258675152691933
Energy: 1.2419039090947237
Energy: 1.2830387692071983
Energy: 1.2852139152874156
Energy: 1.2830387692080458
Energy: 1.110430177089717
Energy: 1.4526612772591516
Energy: 1.2013394034036378
Energy: 1.4526612772583043
Energy: 1.2079924578531855
Energy: 1.260121123207791
Energy: 1.1316650161873252
Energy: 1.2601211232060963
Energy: 1.1796574040820362
Energy: 1.2848713169676291
Energy: 1.1626349870729527
Energy: 1.2848713169676291
Energy: 1.114269681737132
Energy: 1.3261485487942404
Energy: 1.3102402351414248
Energy: 1.3261485487942404
Energy: 1.1848145173551055
Energy: 1.26986359927446
Energy: 1.1351528646151812
Energy: 1.2698635992736125
Energy: 1.2014041480368856
Energy: 1.3380578169769415
Energy: 1.1730185416038272
Energy: 1.3380578169769415
Energy: 1.2630616812045132
Energy: 1.2789168535132052
Energy: 1.1150676222416562
Energy: 1.2789168535140525
Energy: 1.1372399236465347
Energy: 1.2702963713880113
Energy: 1.183751776995836
Energy: 1.2702963713880113
Energy: 1.1133493894291477
Energy: 1.2711022541672499
Energy: 1.273627920408365
Energy: 1.271102254165555
Energy: 1.2274165274714601
Energy: 1.2833802999647161
Energy: 1.11324367013113
Energy: 1.2833802999638688
Energy: 1.2172736578620726
Energy: 1.336463903884106
Energy: 1.1847263628638882
Energy: 1.336463903884106
Energy: 1.2839680360009746
Energy: 1.264854287014602
Energy: 1.1832061889075889
Energy: 1.264854287014602
Energy: 1.2661170775654094
Energy: 1.2788201438419404
Energy: 1.1142454178547851
Energy: 1.2788201438419404
Energy: 1.2021707974895603
Energy: 1.2708780309204382
Energy: 1.3090083940752621
Energy: 1.2708780309195906
Energy: 1.1605185868524885
Energy: 1.2776089126163956
Energy: 1.1853541845779145
Energy: 1.2776089126172432
Energy: 1.317306379047176
Energy: 1.4396434499282595
Energy: 1.1171887614670621
Energy: 1.4396434499282595
Energy: 1.1281528749507348
Energy: 1.3388554924699592
Energy: 1.185217683899808
Energy: 1.3388554924691116

minimum gb energy = 1.1102174784541172 eV
minimum distance =  2.23280399369784 Angstroms
sigma value = 53


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

Energy: 1.1139400045398071
Energy: 1.1113115921641734
Energy: 1.214455266325135
Energy: 1.1113115921641734
Energy: 1.2532381221444542
Energy: 1.229002649950894
Energy: 1.1325621072152523
Energy: 1.2290026499528446
Energy: 1.1146410757842418
Energy: 1.1108910124282152
Energy: 1.2508748306602977
Energy: 1.110891012430166
Energy: 1.114561403669745
Energy: 1.1110253881952625
Energy: 1.1715340926000433
Energy: 1.1110253881952625
Energy: 1.253373942577499
Energy: 1.2288803183367782
Energy: 1.1124005555032244
Energy: 1.2288803183367782
Energy: 1.1139400045398071
Energy: 1.1113115921641734
Energy: 1.2397675008440041
Energy: 1.1113115921641734
Energy: 1.2532381221464048
Energy: 1.229002649950894
Energy: 1.172054758389861
Energy: 1.229002649950894
Energy: 1.1146410757842418
Energy: 1.110891012430166
Energy: 1.2508772470590999
Energy: 1.110891012430166
Energy: 1.114561403669745
Energy: 1.1110253881952625
Energy: 1.204633308806657
Energy: 1.1110253881952625
Energy: 1.2533739425755481
Energy: 1.2288803183367782
Energy: 1.1523264724456967
Energy: 1.2288803183367782
Energy: 1.1139400045398071
Energy: 1.1113115921641734
Energy: 1.2399030093610652
Energy: 1.1113115921641734
Energy: 1.2532381221444542
Energy: 1.229002649950894
Energy: 1.2046462443729093
Energy: 1.229002649950894
Energy: 1.1146410757861926
Energy: 1.1108910124282152
Energy: 1.2508731308635228
Energy: 1.110891012430166

minimum gb energy = 1.1108910124282152 eV
minimum distance =  2.28509671419277 Angstroms
sigma value = 9


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

Energy: 1.216448632467247
Energy: 1.2543555580285066
Energy: 1.4425049815579616
Energy: 1.2543555580285066
Energy: 1.331197933450081
Energy: 1.2374161383337463
Energy: 1.187295484722615
Energy: 1.2374161383337463
Energy: 1.1427866268193616
Energy: 1.1973327488115706
Energy: 1.161531949598354
Energy: 1.1973327488122925
Energy: 1.1999754121278674
Energy: 1.2871914703904694
Energy: 1.151616218296165
Energy: 1.287191470392636
Energy: 1.2422923445747478
Energy: 1.2627575408049818
Energy: 1.159272358117204
Energy: 1.2627575408057037
Energy: 1.1999612391506556
Energy: 1.1967452691849492
Energy: 1.1821472075079624
Energy: 1.1967452691849492
Energy: 1.3607654255577377
Energy: 1.2558586710689947
Energy: 1.1879283755721322
Energy: 1.2558586710689947
Energy: 1.158840927550134
Energy: 1.2716964456263307
Energy: 1.2583814473343204
Energy: 1.2716964456270528
Energy: 1.145674638518447
Energy: 1.309495491687041
Energy: 1.203983861374488
Energy: 1.309495491688485
Energy: 1.1438971457747218
Energy: 1.2336353507282816
Energy: 1.1882933588559141
Energy: 1.2336353507290034
Energy: 1.1605260966991162
Energy: 1.2887050615948121
Energy: 1.2953730619311377
Energy: 1.2887050615940903
Energy: 1.3220529390234275
Energy: 1.3283456100378876
Energy: 1.1481392376958244
Energy: 1.3283456100378876
Energy: 1.1450362302437636
Energy: 1.2288607974216146
Energy: 1.2835967739481644
Energy: 1.2288607974208925
Energy: 1.2053049240749796
Energy: 1.5401636650538206
Energy: 1.2224734170026483
Energy: 1.5401636650545425
Energy: 1.1898416129239353
Energy: 1.2546192883500982
Energy: 1.2246018218653694
Energy: 1.2546192883500982
Energy: 1.148619656398587
Energy: 1.3091149427923359
Energy: 1.188585948021256
Energy: 1.3091149427923359
Energy: 1.2001758699640097
Energy: 1.2540051609032519
Energy: 1.204160749855172
Energy: 1.2540051608996419
Energy: 1.163753577400596
Energy: 1.256351710832502
Energy: 1.3014574973744768
Energy: 1.256351710833224
Energy: 1.303119426990292
Energy: 1.2280051680747228
Energy: 1.2020669165891433
Energy: 1.2280051680754447
Energy: 1.1774910709909432
Energy: 1.249652286534298
Energy: 1.2217019370054205
Energy: 1.249652286534298
Energy: 1.2056104679170134
Energy: 1.2872042973674875
Energy: 1.201969985074603
Energy: 1.2872042973682094
Energy: 1.2204053082608664
Energy: 1.2741256174121907
Energy: 1.143618196581796
Energy: 1.274125617412913
Energy: 1.20424329634927
Energy: 1.27346839349981
Energy: 1.146131173093698
Energy: 1.273468393500532
Energy: 1.351623433913607
Energy: 1.1985119396136736
Energy: 1.1584221435654427
Energy: 1.1985119396136736
Energy: 1.1872334387955752
Energy: 1.3269782296075594
Energy: 1.4008342656180117
Energy: 1.3269782296118915
Energy: 1.1627701587397332
Energy: 1.1971835958040054
Energy: 1.1434446057056977
Energy: 1.1971835958040054
Energy: 1.1948888563329547
Energy: 1.2684765190074003
Energy: 1.1994370777956551
Energy: 1.2684765190066782
Energy: 1.2086212381447148
Energy: 1.2871947082598865
Energy: 1.2001853507162685
Energy: 1.2871947082613306
Energy: 1.1916797673596111
Energy: 1.196525867106262
Energy: 1.1424092614119017
Energy: 1.196525867106262
Energy: 1.1870531447781432
Energy: 1.3293037532902994
Energy: 1.4029173770892125
Energy: 1.3293037532902994
Energy: 1.3488384158644509
Energy: 1.2565841373971292
Energy: 1.1576173901710578
Energy: 1.2565841373978512
Energy: 1.2264823866921686
Energy: 1.2575541978029012
Energy: 1.1438144271018647
Energy: 1.2575541978029012
Energy: 1.1876210044022613
Energy: 1.2745277167823474
Energy: 1.1429669934329794
Energy: 1.2745277167830698
Energy: 1.1957172278261117
Energy: 1.2870884895441221
Energy: 1.199811753121971
Energy: 1.2870884895419563
Energy: 1.1592683956356846
Energy: 1.304624051621919
Energy: 1.3605111871727167
Energy: 1.304624051621197

minimum gb energy = 1.1424092614119017 eV
minimum distance =  2.29470093943786 Angstroms
sigma value = 73


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

Energy: 1.305738325298129
Energy: 1.2510322569498993
Energy: 1.2979592932052637
Energy: 1.2510322569498993
Energy: 1.2937113261771829
Energy: 1.3170445959417123
Energy: 1.200185516026412
Energy: 1.3170445959417123
Energy: 1.1596567241531732
Energy: 1.1957606379523649
Energy: 1.1786562402347855
Energy: 1.1957606379512196
Energy: 1.1248508888566389
Energy: 1.319572199668209
Energy: 1.1808041845740362
Energy: 1.319572199668209
Energy: 1.1696174622978772
Energy: 1.2931668181578468
Energy: 1.1792208535671642
Energy: 1.2931668181578468
Energy: 1.1826122230767224
Energy: 1.4723777932709228
Energy: 1.2054502455576455
Energy: 1.4723777932697772
Energy: 1.380257984366837
Energy: 1.3437429472919784
Energy: 1.1546114671901402
Energy: 1.3437429472919784
Energy: 1.1493687541948356
Energy: 1.2120641168724917
Energy: 1.3246133349684566
Energy: 1.2120641168713462
Energy: 1.2744695654809566
Energy: 1.2132706163005456
Energy: 1.2105929601726417
Energy: 1.2132706162994
Energy: 1.157026818103826
Energy: 1.2515008469753675
Energy: 1.1981089664765552
Energy: 1.251500846976513
Energy: 1.14490535553491
Energy: 1.21332081756492
Energy: 1.2450351848220649
Energy: 1.2133208175660655
Energy: 1.2586770867878747
Energy: 1.3230348630512279
Energy: 1.1244770601495848
Energy: 1.3230348630523736
Energy: 1.1811814609124103
Energy: 1.2879845857582817
Energy: 1.3537171386830202
Energy: 1.2879845857582817
Energy: 1.2629241982877706
Energy: 1.2971187946477092
Energy: 1.1823935381685287
Energy: 1.2971187946488545
Energy: 1.1672887499398599
Energy: 1.3306529173744344
Energy: 1.3525981490811037
Energy: 1.3306529173767256
Energy: 1.2445662223155471
Energy: 1.212440719190361
Energy: 1.1493551365377672
Energy: 1.212440719190361
Energy: 1.2563033772433325
Energy: 1.2528859546902504
Energy: 1.1592520998835325
Energy: 1.2528859546902504
Energy: 1.2539000926670332
Energy: 1.4183187520218723
Energy: 1.1563507972770828
Energy: 1.4183187520207268
Energy: 1.1530208167532447
Energy: 1.2124429441412092
Energy: 1.1487858760754934
Energy: 1.2124429441412092
Energy: 1.2003449584135502
Energy: 1.2705311011115863
Energy: 1.424700571767833
Energy: 1.2705311011127318
Energy: 1.2841656076250305
Energy: 1.4384405221439023
Energy: 1.187839948259441
Energy: 1.4384405221439023
Energy: 1.2020168413508059
Energy: 1.3004709429522123
Energy: 1.2737181634648542
Energy: 1.3004709429533579

minimum gb energy = 1.1244770601495848 eV
minimum distance =  2.26559379443013 Angstroms
sigma value = 7


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

Energy: 1.242365745778778
Energy: 1.2373741957748
Energy: 1.3069473613962754
Energy: 1.2373741957764202
Energy: 1.3325101896031142
Energy: 1.2617687495000809
Energy: 1.196246453264902
Energy: 1.2617687495000809
Energy: 1.1667640206718133
Energy: 1.4529464438493949
Energy: 1.1604959177634335
Energy: 1.4529464438461546
Energy: 1.1353365246472902
Energy: 1.3141949428556
Energy: 1.1947599527646833
Energy: 1.3141949428564097
Energy: 1.1782422694702213
Energy: 1.2737811571652013
Energy: 1.1788297261527736
Energy: 1.2737811571652013
Energy: 1.1701223888970196
Energy: 1.2374339528251985
Energy: 1.255266208534247
Energy: 1.2374339528243887
Energy: 1.3673851511815944
Energy: 1.285394847021748
Energy: 1.178632437549052
Energy: 1.285394847021748
Energy: 1.1700382784440708
Energy: 1.237990891022824
Energy: 1.3860278506540678
Energy: 1.237990891024444
Energy: 1.2775575362687153
Energy: 1.296393261488882
Energy: 1.1917275575699706
Energy: 1.2963932614864517
Energy: 1.1744380890632795
Energy: 1.282181447665866
Energy: 1.2619483217426888
Energy: 1.2821814476634357
Energy: 1.1409625830137642
Energy: 1.4493256329769098
Energy: 1.1558243054646407
Energy: 1.44932563298015
Energy: 1.2165835246125025
Energy: 1.2737116629840604
Energy: 1.1527636432375512
Energy: 1.2737116629824403
Energy: 1.2342968321497547
Energy: 1.2384538250781436
Energy: 1.1562985684475802
Energy: 1.2384538250789534
Energy: 1.1609552946331587
Energy: 1.2223164484190343
Energy: 1.1519942099833111
Energy: 1.2223164484222744
Energy: 1.1752586269847247
Energy: 1.3596690476093536
Energy: 1.3663616378850219
Energy: 1.3596690476085433
Energy: 1.3069579303790289
Energy: 1.2228520977505746
Energy: 1.1879805398954981
Energy: 1.2228520977489548
Energy: 1.1772882030312946
Energy: 1.2806780329873746
Energy: 1.310044816498729
Energy: 1.2806780329865644
Energy: 1.1788805909319937
Energy: 1.231634204395409
Energy: 1.152386139554352
Energy: 1.2316342043937891
Energy: 1.1738423862289316
Energy: 1.2375197960027646
Energy: 1.155955944753862
Energy: 1.2375197960027646
Energy: 1.1740012499599144
Energy: 1.2736722967319127
Energy: 1.1533014734783145
Energy: 1.2736722967351528
Energy: 1.1404070808721032
Energy: 1.3139010855753244
Energy: 1.191727541181963
Energy: 1.3139010855769446
Energy: 1.1751056916207763
Energy: 1.3320899158252506
Energy: 1.3309242742456415
Energy: 1.3320899158244404
Energy: 1.3188580633219247
Energy: 1.2682019451844362
Energy: 1.174702095145564
Energy: 1.2682019451844362
Energy: 1.2454438852638166
Energy: 1.2382633066533824
Energy: 1.245375188195718
Energy: 1.2382633066541924
Energy: 1.1987163729771588
Energy: 1.2735998135124436
Energy: 1.1736038135732407
Energy: 1.2735998135124436
Energy: 1.1354614438866661
Energy: 1.4504618856594866
Energy: 1.1467666717168197
Energy: 1.4504618856586766
Energy: 1.1668768206415252
Energy: 1.282498250846469
Energy: 1.2179202481420313
Energy: 1.282498250845659
Energy: 1.1355551526802095
Energy: 1.2802471321687996
Energy: 1.195155791544633
Energy: 1.2802471321720397
Energy: 1.166546681831422
Energy: 1.237839375405443
Energy: 1.272764611052511
Energy: 1.237839375406253
Energy: 1.3839746776308424
Energy: 1.2116997133211245
Energy: 1.1930802296583187
Energy: 1.2116997133219345
Energy: 1.166501014919231
Energy: 1.2378104551484688
Energy: 1.3334319142539082
Energy: 1.237810455150089

minimum gb energy = 1.1353365246472902 eV
minimum distance =  2.24839822439881 Angstroms
sigma value = 29


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

Energy: 1.1727935957971973
Energy: 1.1647209291660487
Energy: 1.1157375693483917
Energy: 1.1647209291657667
Energy: 1.115099310834481
Energy: 1.1861561816818689
Energy: 1.187781243827132
Energy: 1.1861561816810224
Energy: 1.1355725155978658
Energy: 1.2731924308613658
Energy: 1.1158545427889905
Energy: 1.2731924308613658
Energy: 1.1849543914314207
Energy: 1.241331883448266
Energy: 1.1882308735254004
Energy: 1.2413318834477018
Energy: 1.1834525770002198
Energy: 1.2446632318570743
Energy: 1.2554901967534875
Energy: 1.2446632318573252
Energy: 1.067812521232647
Energy: 1.2774099156372245
Energy: 1.0678632529084078
Energy: 1.2774099156369425
Energy: 1.1365545896079214
Energy: 1.2446025769079068
Energy: 1.1834515296507957
Energy: 1.2446025769081888
Energy: 1.18812872894654
Energy: 1.2413779901807138
Energy: 1.1849715617724335
Energy: 1.2413779901663549
Energy: 1.1158435670139975
Energy: 1.273132520309474
Energy: 1.132246928107338
Energy: 1.2731325203097565

minimum gb energy = 1.067812521232647 eV
minimum distance =  2.26742717294965 Angstroms
sigma value = 5


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

Energy: 1.1375202727063234
Energy: 1.1421976453551788
Energy: 1.2599769847972861
Energy: 1.1421976453544136
Energy: 1.370061318325045
Energy: 1.1147524983649073
Energy: 1.082628998549278
Energy: 1.114752498364142
Energy: 1.074283560010233
Energy: 1.1250501235310717
Energy: 1.2558879185432474
Energy: 1.1250501235310717
Energy: 1.066879095550563
Energy: 1.1860278024110613
Energy: 1.1087444815677245
Energy: 1.1860278024102962
Energy: 1.10287595986247
Energy: 1.1936348776341519
Energy: 1.251413631790151
Energy: 1.1936348776341519
Energy: 1.1087849471616509
Energy: 1.1451039826939395
Energy: 1.0869592629998983
Energy: 1.1451039826939395
Energy: 1.0764840206287667
Energy: 1.193268324689627
Energy: 1.0764106619541671
Energy: 1.1932683246903923
Energy: 1.0765264718692993
Energy: 1.145031992399947
Energy: 1.0796714907737603
Energy: 1.1450319923991819
Energy: 1.1029329149083529
Energy: 1.1921005028616602
Energy: 1.0755869819078931
Energy: 1.1921005028608949
Energy: 1.1062566543690122
Energy: 1.196368848232731
Energy: 1.0600952951520475
Energy: 1.196368848232731
Energy: 1.0986087147563703
Energy: 1.1863794125057923
Energy: 1.0772844732542575
Energy: 1.1863794125057923
Energy: 1.0764676954821268
Energy: 1.1186451944507965
Energy: 1.1565872216358302
Energy: 1.118645194450031
Energy: 1.1099600866424253
Energy: 1.1430339243554908
Energy: 1.1406187519743838
Energy: 1.143033924356256
Energy: 1.1078808715567368
Energy: 1.142147424568169
Energy: 1.363183799816325
Energy: 1.1421474245658736
Energy: 1.280718992914825
Energy: 1.1004695581364023
Energy: 1.0770201559147665
Energy: 1.1004695581364023
Energy: 1.106453195274813
Energy: 1.1249311886159779
Energy: 1.0831106961401045
Energy: 1.1249311886159779
Energy: 1.2536083722643232
Energy: 1.1203406674186125
Energy: 1.0902903612714994
Energy: 1.1203406674178473
Energy: 1.1025697994542485
Energy: 1.1433516005126667
Energy: 1.1533823575359559
Energy: 1.1433516005111364
Energy: 1.0965615401804067
Energy: 1.197871744074421
Energy: 1.0833859134349715
Energy: 1.197871744074421
Energy: 1.0757150936484818
Energy: 1.217094116414017
Energy: 1.1153956067743112
Energy: 1.217094116414017
Energy: 1.063574620475327
Energy: 1.1813758829202756
Energy: 1.1101210243212007
Energy: 1.1813758829210408
Energy: 1.10308313852489
Energy: 1.1927970022122316
Energy: 1.101869664228998
Energy: 1.192797002212997
Energy: 1.0847687992255444
Energy: 1.1437714780037345
Energy: 1.0644582070836233
Energy: 1.1437714780037345
Energy: 1.1575715931768404
Energy: 1.186452608579555
Energy: 1.0762188789308225
Energy: 1.18645260858032
Energy: 1.1541252384951706
Energy: 1.1374692591338287
Energy: 1.082383790659417
Energy: 1.137469259134594
Energy: 1.1276499466683285
Energy: 1.1422698956445492
Energy: 1.103199913515018
Energy: 1.1422698956453146
Energy: 1.0991583862709946
Energy: 1.086477741421336
Energy: 1.1191751654009543
Energy: 1.0864777414243967
Energy: 1.0793004377406574
Energy: 1.188928566186015
Energy: 1.106401866587491
Energy: 1.1889285661867803
Energy: 1.0824928212740308
Energy: 1.112317356505195
Energy: 1.4084075817462849
Energy: 1.11231735650596
Energy: 1.224426394604231
Energy: 1.1428401808858586
Energy: 1.1004488802378092
Energy: 1.1428401808858586
Energy: 1.0973380003294328
Energy: 1.1134065161492948
Energy: 1.2252209197861668
Energy: 1.1134065161492948
Energy: 1.2530035471943881
Energy: 1.1377997100424295
Energy: 1.076338422828464
Energy: 1.1377997100431947
Energy: 1.106999779885418
Energy: 1.186963439511869
Energy: 1.0732876586729745
Energy: 1.1869634395103386

minimum gb energy = 1.0600952951520475 eV
minimum distance =  2.26429855324934 Angstroms
sigma value = 1


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

Energy: 1.0915994631327899
Energy: 1.0870063982908178
Energy: 1.0259668771461294
Energy: 1.0870063982929339
Energy: 1.300526876488026
Energy: 1.0457955355774047
Energy: 1.0525882953163415
Energy: 1.0457955355795208
Energy: 1.0110814467154365
Energy: 1.0872280672995498
Energy: 1.4464533060854865
Energy: 1.0872280672995498
Energy: 1.056171954075521
Energy: 1.1434322687877914
Energy: 1.0507965557946528
Energy: 1.1434322687877914
Energy: 1.0125119040713395
Energy: 1.085083567403866
Energy: 1.2594244311282936
Energy: 1.085083567405982
Energy: 1.0136306668456765
Energy: 1.1445001311793221
Energy: 1.0510775189822594
Energy: 1.1445001311803804
Energy: 1.0123697346493452
Energy: 1.190763985668281
Energy: 1.0618434011150526
Energy: 1.190763985668281
Energy: 1.0133313303811176
Energy: 1.0913271113772651
Energy: 1.0604358014707398
Energy: 1.0913271113783232
Energy: 1.0816134945255984
Energy: 1.0893808811496513
Energy: 1.0639900426574327
Energy: 1.0893808811496513
Energy: 1.081459985226086
Energy: 1.0894396674101552
Energy: 1.0605615934679655
Energy: 1.0894396674101552
Energy: 1.0133661517496795
Energy: 1.091338018313609
Energy: 1.062367317577306
Energy: 1.091338018313609
Energy: 1.0122514535652078
Energy: 1.1907740723174491
Energy: 1.0631241604033033
Energy: 1.190774072316391
Energy: 1.013651352845517
Energy: 1.1443882187287977
Energy: 1.0510803404568796
Energy: 1.1443882187287977
Energy: 1.0122679110285582
Energy: 1.0851650197645772
Energy: 1.1053372844482492
Energy: 1.0851650197645772
Energy: 1.0479273097539892
Energy: 1.143464144371094
Energy: 1.0507701625842472
Energy: 1.1434641443721516
Energy: 1.0110399804641097
Energy: 1.087175376331734
Energy: 1.0678188583358508
Energy: 1.087175376331734
Energy: 1.3003929808164185
Energy: 1.045834274159525
Energy: 1.0523420555115646
Energy: 1.045834274157409
Energy: 1.0915994631317318
Energy: 1.0870063982908178
Energy: 1.2278827552654017
Energy: 1.0870063982929339
Energy: 1.300526876489084
Energy: 1.0457955355774047
Energy: 1.0525882953163415
Energy: 1.0457955355795208
Energy: 1.0110814467154365
Energy: 1.0872280672995498
Energy: 1.4464533060876024
Energy: 1.0872280672995498
Energy: 1.056171954076579
Energy: 1.1434322687877914
Energy: 1.0507965557946528
Energy: 1.1434322687877914
Energy: 1.0125119040723976
Energy: 1.0850835674049242
Energy: 1.2594244311282936
Energy: 1.085083567405982
Energy: 1.0136306668456765
Energy: 1.1445001311803804
Energy: 1.0510775189822594
Energy: 1.1445001311793221
Energy: 1.0123697346493452
Energy: 1.190763985668281
Energy: 1.0618434011150526
Energy: 1.190763985668281

minimum gb energy = 1.0110399804641097 eV
minimum distance =  2.27881004557499 Angstroms
sigma value = 17


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

Energy: 1.0677942937755451
Energy: 1.0636718306498527
Energy: 1.301077215742678
Energy: 1.0636718306511606
Energy: 1.178738295772293
Energy: 1.0503278867487098
Energy: 1.0255475256447624
Energy: 1.0503278867460941
Energy: 1.024233365065101
Energy: 1.0466004380692258
Energy: 1.2881196643923727
Energy: 1.0466004380692258
Energy: 1.0381233885508219
Energy: 1.0166307303014475
Energy: 1.0206749736803176
Energy: 1.0166307303007935
Energy: 1.0078742065630484
Energy: 1.1277270401621717
Energy: 1.2875534896349923
Energy: 1.1277270401621717
Energy: 0.9939266303126943
Energy: 1.2652198405958042
Energy: 1.04215280025748
Energy: 1.2652198405958042
Energy: 1.0245172212181186
Energy: 1.1081702214102456
Energy: 1.077051339216993
Energy: 1.1081702214095916
Energy: 1.0054429822801145
Energy: 1.2685945505999054
Energy: 1.005407001419098
Energy: 1.2685945506012135
Energy: 1.0596863883189165
Energy: 1.2721810403922484
Energy: 1.0330531305674657
Energy: 1.2721810403909406
Energy: 1.0668198787776186
Energy: 1.0990125716940566
Energy: 1.0271637970844563
Energy: 1.0990125716888253
Energy: 1.0249554289909135
Energy: 1.2461271869688038
Energy: 1.006501441473649
Energy: 1.2461271869688038
Energy: 1.0271957746414775
Energy: 1.1044110997410779
Energy: 1.0098880963673482
Energy: 1.1044110997410779
Energy: 0.9932897442005169
Energy: 1.2625686216070493
Energy: 1.023302815503035
Energy: 1.2625686216070493
Energy: 1.0098936863248826
Energy: 1.1274787497589998
Energy: 1.0781460936626528
Energy: 1.1274787497596537
Energy: 1.0092348486156526
Energy: 1.2544770792799331
Energy: 1.0736520730351953
Energy: 1.2544770792799331
Energy: 1.0239323788230896
Energy: 1.047198466659375
Energy: 1.284761713539446
Energy: 1.047198466659375
Energy: 1.0311095374474182
Energy: 1.2582376001797186
Energy: 1.023061900632387
Energy: 1.2582376001790647
Energy: 1.0205113761036835
Energy: 1.0642306370875427
Energy: 1.0165975184357041
Energy: 1.0642306370875427
Energy: 1.186533959109493
Energy: 1.1051784773597828
Energy: 1.0272035240010913
Energy: 1.1051784773591289
Energy: 1.0411081277039322
Energy: 1.0466321324973094
Energy: 1.1777408633291047
Energy: 1.0466321324966554
Energy: 1.2935797335756836
Energy: 1.0410131356363952
Energy: 1.0232704818134348
Energy: 1.0410131356357413
Energy: 1.0247880712257738
Energy: 1.0646848572003589
Energy: 1.2994924871962898
Energy: 1.0646848572029746
Energy: 1.1763511087086138
Energy: 1.0358527542857792
Energy: 1.0419296762223496
Energy: 1.035852754286433
Energy: 1.0236186579169115
Energy: 1.110216555761624
Energy: 1.198626291099722
Energy: 1.110216555761624
Energy: 1.0247859224070868
Energy: 1.065039592906285
Energy: 1.020032897396786
Energy: 1.0650395929075929
Energy: 1.023849830587981
Energy: 1.1297498406083375
Energy: 1.0301288616450526
Energy: 1.1297498406070299
Energy: 1.1598838801356937
Energy: 1.090236123182073
Energy: 1.0251141253333966
Energy: 1.0902361231827267
Energy: 1.0767484377101766
Energy: 1.2548598629504872
Energy: 1.0072847251817862
Energy: 1.2548598629511414
Energy: 1.0789718347692308
Energy: 1.127442062467129
Energy: 1.0076952266289163
Energy: 1.1274420624664752
Energy: 1.0238549246655426
Energy: 1.2632922444435861
Energy: 1.043406643629492
Energy: 1.2632922444455479
Energy: 1.0089970600303606
Energy: 1.1280663025922533
Energy: 1.0314220100424143
Energy: 1.1280663025929072
Energy: 1.0070763232609137
Energy: 1.2448921087033744
Energy: 1.0224517810327634
Energy: 1.2448921087033744
Energy: 1.0251830095729049
Energy: 1.099630451056441
Energy: 1.1865325262684652
Energy: 1.0996304510551331
Energy: 1.0457663429793
Energy: 1.2745542119296442
Energy: 1.0454886348310906
Energy: 1.274554211930952
Energy: 1.0065472999108152
Energy: 1.0649660813929642
Energy: 1.0361923851786987
Energy: 1.0649660813929642
Energy: 1.0770346478738604
Energy: 1.1105765010348638
Energy: 1.0231813155012226
Energy: 1.11057650103421
Energy: 1.0420781391050704
Energy: 1.2661058313018514
Energy: 0.993764638827946
Energy: 1.2661058313025053
Energy: 1.2891542301850476
Energy: 1.129454126203903
Energy: 1.0242013673493484
Energy: 1.1294541262032491

minimum gb energy = 0.9932897442005169 eV
minimum distance =  2.27459001770593 Angstroms
sigma value = 89


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

Energy: 0.9367017866712603
Energy: 0.9339662144937734
Energy: 1.3266484561089944
Energy: 0.9339662144937734
Energy: 0.9384444762279158
Energy: 0.9729649020920169
Energy: 0.9400043751266306
Energy: 0.9729649020920169
Energy: 0.9394387761133821
Energy: 1.1029074248661888
Energy: 1.3262792186400625
Energy: 1.1029074248661888
Energy: 0.9075968226789884
Energy: 0.9730545655703744
Energy: 0.9400172263059847
Energy: 0.9730545655703744
Energy: 0.939567182383338
Energy: 1.0233382475968722
Energy: 1.5391542538672323
Energy: 1.0233382475968722
Energy: 0.9349127958278055
Energy: 0.9354317426556543
Energy: 0.9400619313513483
Energy: 0.9354317426556543
Energy: 0.9395791948229191
Energy: 1.102221650100205
Energy: 0.9419272663940021
Energy: 1.102221650100205
Energy: 0.893822334200995
Energy: 1.360165332024387
Energy: 0.9402842798589747
Energy: 1.360165332024387
Energy: 0.939811322135689
Energy: 1.0243048507843615
Energy: 0.9120232585301326
Energy: 1.0243048507843615
Energy: 0.971403042762992
Energy: 1.2905577712151093
Energy: 0.9343927372749866
Energy: 1.2905577712168204
Energy: 0.9297367675854106
Energy: 0.9736951358886691
Energy: 0.9391095129412057
Energy: 0.9736951358886691
Energy: 0.9296488593495128
Energy: 1.1020882212444065
Energy: 0.9402304898788753
Energy: 1.1020882212444065
Energy: 0.9351113709129969
Energy: 0.9369388615347607
Energy: 0.8898721837231054
Energy: 0.9369388615347607
Energy: 0.937313638721909
Energy: 1.0220667106692534
Energy: 0.9370938327541956
Energy: 1.0220667106692534
Energy: 0.9117958939389712
Energy: 0.9369285439644021
Energy: 0.9353718106685842
Energy: 0.9369285439644021

minimum gb energy = 0.8898721837231054 eV
minimum distance =  2.29341144065661 Angstroms
sigma value = 13


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

Energy: 0.9062101154904373
Energy: 0.8656295551639415
Energy: 0.8333589690042
Energy: 0.8656295551625072
Energy: 1.3344917686851039
Energy: 0.8927258668512699
Energy: 0.8497618299136541
Energy: 0.8927258668541386
Energy: 0.8691949988853727
Energy: 0.8661209555902131
Energy: 1.2808867835514157
Energy: 0.8661209555880617
Energy: 0.8722268400598364
Energy: 0.892453980848399
Energy: 0.8466589928963364
Energy: 0.8924539808505505
Energy: 0.8761507498155012
Energy: 0.9308215301121572
Energy: 0.8748607863222956
Energy: 0.9308215301143088
Energy: 0.8526117113101124
Energy: 0.8930735023333034
Energy: 0.8789735388957203
Energy: 0.8930735023333034
Energy: 0.8758765563424313
Energy: 0.9384308582536975
Energy: 1.1786112546003489
Energy: 0.9384308582529804
Energy: 0.835051390159768
Energy: 0.8931371010606843
Energy: 0.8790149661576546
Energy: 0.8931371010649872
Energy: 0.8759146831603045
Energy: 0.9370768581108422
Energy: 1.0285014624209785
Energy: 0.9370768581108422
Energy: 1.0362004033729972
Energy: 0.95615043506185
Energy: 0.846821705982249
Energy: 0.9561504350604157
Energy: 0.8762859885436266
Energy: 0.9570308293732263
Energy: 0.8494709687823533
Energy: 0.9570308293753778
Energy: 1.1739230141253802
Energy: 0.9559474327222794
Energy: 0.8504903523435037
Energy: 0.9559474327251483
Energy: 0.9137088827852923
Energy: 0.8844791653765689
Energy: 0.8509104144248751
Energy: 0.8844791653787203
Energy: 1.2017731015547841
Energy: 0.9564358960214911
Energy: 0.8454979549584284
Energy: 0.9564358960229254
Energy: 0.8764987916677791
Energy: 0.8663627339458914
Energy: 0.8376242532922303
Energy: 0.8663627339451742
Energy: 0.8712204113510094
Energy: 0.9569087345320371
Energy: 0.8527233108820572
Energy: 0.9569087345334714
Energy: 0.8655927387218951
Energy: 0.8649468909963324
Energy: 0.8502470136370233
Energy: 0.8649468909999181
Energy: 0.8617164192973523
Energy: 0.9347367011826127
Energy: 0.8852259107157805
Energy: 0.9347367011811785
Energy: 0.8657037534574588
Energy: 0.9351886611849101
Energy: 0.8858773847710618
Energy: 0.9351886611899302
Energy: 0.865697041648517
Energy: 0.9350984176582845
Energy: 0.8857943900390227
Energy: 0.9350984176590017
Energy: 0.8620153598968097
Energy: 0.9349207185420944
Energy: 0.8856435009753699
Energy: 0.9349207185420944
Energy: 0.8655233940985528
Energy: 0.8650406922082865
Energy: 0.8503965454507312
Energy: 0.865040692206135
Energy: 0.8704356738482764
Energy: 0.956438914095322
Energy: 0.8525172653783534
Energy: 0.9564389140946049
Energy: 0.8767009262706388
Energy: 0.8663339831106641
Energy: 0.8437457143592697
Energy: 0.8663339831113812
Energy: 1.2017739731637427
Energy: 0.956581175593168
Energy: 0.8458412437086693
Energy: 0.9565811755888652
Energy: 0.9136261798224942
Energy: 0.884476593397181
Energy: 0.8524639628270819
Energy: 0.884476593391509
Energy: 1.1744651247409532
Energy: 0.9560278897564028
Energy: 0.8505639658040952
Energy: 0.95602788975712
Energy: 0.8764368000066342
Energy: 0.9572047572655349
Energy: 0.8520336237349306
Energy: 0.9572047572633835
Energy: 1.0359741393525472
Energy: 0.9563345280113026
Energy: 0.8467870213713091
Energy: 0.9563345280105854
Energy: 0.875918960326391
Energy: 0.9369599605063107
Energy: 1.0297958034403722
Energy: 0.9369599605063107
Energy: 0.8341378347900653
Energy: 0.8930630995038993
Energy: 0.8791862053277909
Energy: 0.8930630995017478
Energy: 0.8758634809115848
Energy: 0.9389586762453322
Energy: 1.1915855699798974
Energy: 0.9389586762460495
Energy: 0.8520978379060439
Energy: 0.8934593845724329
Energy: 0.8791817341344047
Energy: 0.8934593845688471
Energy: 0.8761555797632922
Energy: 0.9308072747558761
Energy: 1.1952331019196742
Energy: 0.930807274755159
Energy: 0.8720433548181609
Energy: 0.892542492010615
Energy: 0.8466685149327835
Energy: 0.892542492010615

minimum gb energy = 0.8333589690042 eV
minimum distance =  2.307005932016 Angstroms
sigma value = 37


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

Energy: 0.9901363698935631
Energy: 0.848297605877999
Energy: 0.7349600674219089
Energy: 0.848297605879233
Energy: 1.3477336534239153
Energy: 0.8218986916068712
Energy: 0.7630679364807573
Energy: 0.8218986916068712
Energy: 0.8114527395570265
Energy: 0.9257477420333454
Energy: 1.0902094295819327
Energy: 0.9257477420333454
Energy: 0.9068913806091711
Energy: 0.8226679540842485
Energy: 0.7771301674642472
Energy: 0.8226679540842485
Energy: 0.7777566539765169
Energy: 0.8216294535166243
Energy: 0.7922269538128257
Energy: 0.8216294535166243
Energy: 0.7454792147556438
Energy: 0.8222693474667184
Energy: 0.9212478329417254
Energy: 0.8222693474667184
Energy: 0.7925680068140388
Energy: 0.8711889619756701
Energy: 1.2022652355989347
Energy: 0.871188961948554
Energy: 0.7586988939955231
Energy: 0.8240868781105404
Energy: 0.8270115023704787
Energy: 0.8240868781117742
Energy: 0.7625136538667089
Energy: 0.8218502823733607
Energy: 1.0527868289348452
Energy: 0.8218502823733607
Energy: 1.1052158270839965
Energy: 0.915906000941606
Energy: 0.9206540180250572
Energy: 0.9159060009428399
Energy: 0.7940408035266141
Energy: 0.8915879261845717
Energy: 0.9174298447856117
Energy: 0.8915879261845717
Energy: 1.126626088745678
Energy: 0.8223660579052244
Energy: 0.7788449737259705
Energy: 0.8223660579052244
Energy: 0.9212485105779803
Energy: 0.8216653819289054
Energy: 0.87878563829626
Energy: 0.8216653819301393
Energy: 1.2126404633698344
Energy: 0.8639570235280423
Energy: 0.7569100907156995
Energy: 0.8639570235280423
Energy: 0.9899079760313758
Energy: 0.8651346309044116
Energy: 0.7580544999521593
Energy: 0.8651346309056455
Energy: 0.9892564840856821
Energy: 0.8222588311618704
Energy: 0.7649575128457545
Energy: 0.8222588311631042
Energy: 0.921440074255492
Energy: 0.9180589158355529
Energy: 0.7288579846202278
Energy: 0.9180589158355529
Energy: 0.9182306670118191
Energy: 0.892199805049532
Energy: 0.7743753922232807
Energy: 0.8921998050482982
Energy: 0.7744852038583844
Energy: 0.824091692281252
Energy: 0.770883753359853
Energy: 0.8240916922800183
Energy: 0.7706712576509062
Energy: 0.8224304019078003
Energy: 0.9236214089032875
Energy: 0.822430401909034

minimum gb energy = 0.7288579846202278 eV
minimum distance =  2.31811364016576 Angstroms
sigma value = 25


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

Energy: 0.7383188215588363
Energy: 0.6847212906615897
Energy: 0.9600661317170329
Energy: 0.68472129066067
Energy: 1.3144094413109673
Energy: 0.7089035748798725
Energy: 0.6893090726626927
Energy: 0.708903574880836
Energy: 0.6850037734570185
Energy: 0.6836954607383143
Energy: 0.9590662599142982
Energy: 0.6836954607373509
Energy: 0.8840817295853926
Energy: 0.7091546588677949
Energy: 0.6892055633539403
Energy: 0.7091546588687583
Energy: 0.6885126403638447
Energy: 0.709310023011429
Energy: 0.6441867901510904
Energy: 0.709310023011429
Energy: 0.644233619008856
Energy: 0.7087334516496441
Energy: 0.6891958719144873
Energy: 0.7087334516496441
Energy: 0.6890567322137415
Energy: 0.6834811072092972
Energy: 0.8846000254003246
Energy: 0.6834811072083338
Energy: 0.6329715971706955
Energy: 0.736208075657587
Energy: 0.6859037069839314
Energy: 0.736208075657587
Energy: 0.6886219892112625
Energy: 0.7098028990197638
Energy: 1.0952130914166978
Energy: 0.7098028990207274
Energy: 0.6444823329614214
Energy: 0.6836566288082823
Energy: 0.7392528063093514
Energy: 0.6836566288073187
Energy: 0.6914646059489149
Energy: 0.6833079076447157
Energy: 1.1287994793175289
Energy: 0.6833079076456792
Energy: 0.9244034900725052
Energy: 1.0421784467785107
Energy: 0.6860200612519244
Energy: 1.0421784467785107
Energy: 0.6886881926081224
Energy: 0.7096747689916801
Energy: 0.886179824091393
Energy: 0.7096747689916801
Energy: 0.9509328987796462
Energy: 0.6835108010688015
Energy: 0.6894408776571412
Energy: 0.6835108010697648
Energy: 0.6914599561154704
Energy: 0.683305959721013
Energy: 0.6442980244132972
Energy: 0.683305959721013
Energy: 0.9360816769475397
Energy: 0.8096352369238443
Energy: 0.6903241842231828
Energy: 0.8096352369219175
Energy: 0.6888287186702781
Energy: 0.7360698562079969
Energy: 0.631114767833085
Energy: 0.7360698562079969
Energy: 0.9286959137972748
Energy: 0.7094339535535101
Energy: 0.6895845873431797
Energy: 0.7094339535535101
Energy: 0.7431894541678546
Energy: 0.6834876466486329
Energy: 0.6556151255120464
Energy: 0.6834876466495964
Energy: 1.126727704985743
Energy: 0.8135852800634663
Energy: 0.690171461658741
Energy: 0.8135852800634663
Energy: 0.6889037264480505
Energy: 0.7364135722997702
Energy: 0.6223421056612627
Energy: 0.7364135722988069
Energy: 0.6815622312862742
Energy: 0.709279485059602
Energy: 0.689892276100909
Energy: 0.709279485059602
Energy: 0.6883648284813193
Energy: 0.6835796738829988
Energy: 0.9488999314981565
Energy: 0.6835796738849257
Energy: 0.6530489556069845
Energy: 0.8136227803983109
Energy: 0.6901672012856203
Energy: 0.8136227803983109
Energy: 0.6937728177826734
Energy: 1.0412685324331123
Energy: 0.9351802409657098
Energy: 1.0412685324331123
Energy: 0.6443487510310948
Energy: 0.7364015242591538
Energy: 0.6896963523730955
Energy: 0.7364015242591538

minimum gb energy = 0.6223421056612627 eV
minimum distance =  2.32487691116031 Angstroms
sigma value = 41


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

Energy: 1.0022361768089598
Energy: 0.6276425517630623
Energy: 0.5683049828448328
Energy: 0.6276425517630623
Energy: 1.3017243914089873
Energy: 0.6098691985446055
Energy: 0.5957965859994931
Energy: 0.6098691985446055
Energy: 0.6281749470842518
Energy: 0.5936143711415878
Energy: 0.5756865958232545
Energy: 0.5936143711415878
Energy: 0.9783794420987991
Energy: 0.6097960250911415
Energy: 0.5960231444819425
Energy: 0.6097960250903516
Energy: 0.5932728478901976
Energy: 0.6469586160913807
Energy: 0.5797550044035006
Energy: 0.6469586160913807
Energy: 0.7819596993604668
Energy: 0.6106455827117796
Energy: 0.5957920395840083
Energy: 0.6106455827109897
Energy: 0.5952626070044458
Energy: 0.6100473903613615
Energy: 0.8568312242158341
Energy: 0.6100473903621514
Energy: 0.5811178342387008
Energy: 0.6274649323187141
Energy: 0.5938344842076763
Energy: 0.6274649323187141
Energy: 0.5970060508216476
Energy: 0.627362604548905
Energy: 0.9501981492183459
Energy: 0.6273626032264434
Energy: 0.5597948834036439
Energy: 0.5931561475513583
Energy: 0.6287625070112891
Energy: 0.5931561475497785
Energy: 0.5955235743777634
Energy: 0.6099988421371927
Energy: 1.1439073564956694
Energy: 0.6099988421371927
Energy: 0.5805498745025107
Energy: 0.6278978363695495
Energy: 0.9995702099708195
Energy: 0.6278978363695495
Energy: 0.5972037510623496
Energy: 0.6310246322959423
Energy: 1.1441951143496127
Energy: 0.6310246322943626
Energy: 0.8220088311691947
Energy: 0.6926939820021796
Energy: 0.6288476598996882
Energy: 0.6926939820037594
Energy: 0.5953646304230874
Energy: 0.6102961656334032
Energy: 0.9759214439331504
Energy: 0.6102961656326132
Energy: 0.8286373530790547
Energy: 0.626740914226845
Energy: 0.5939144378583565
Energy: 0.6267409142276349
Energy: 0.5973004315945761
Energy: 0.6300088368408883
Energy: 0.7824832073474645
Energy: 0.6300088368400986
Energy: 0.8210806213400801
Energy: 0.6933859465807679
Energy: 0.5960072835019666
Energy: 0.6933859465791882
Energy: 0.5953155028661197
Energy: 0.6272995760965733
Energy: 0.5783702935291319
Energy: 0.6272995760965733
Energy: 0.8468021127220535
Energy: 0.6266642656519811
Energy: 0.5994820534664521
Energy: 0.6266642656511912
Energy: 0.6305726053240277
Energy: 0.6275826428157709
Energy: 0.571097832046164
Energy: 0.6275826428149811
Energy: 1.1447787292659413
Energy: 0.6456855535030874
Energy: 0.5959779120142435
Energy: 0.6456855535062471
Energy: 0.9977557645171183
Energy: 0.6274349321136145
Energy: 0.5785315165667284
Energy: 0.6274349321144044
Energy: 1.0056782988963817
Energy: 0.6288847534886836
Energy: 0.5995036593975375
Energy: 0.6288847534894734
Energy: 0.630754680140123
Energy: 0.6913725576029283
Energy: 0.5696331845858044
Energy: 0.6913725576037181
Energy: 0.9758112278890497
Energy: 0.6456976009490109
Energy: 0.5959939484796538
Energy: 0.6456976009490109
Energy: 0.5956841900797912
Energy: 0.6266737482862772
Energy: 0.8270716244041534
Energy: 0.6266737482862772
Energy: 0.6087934903544633
Energy: 0.628972916093638
Energy: 0.5995588338811336
Energy: 0.628972916093638
Energy: 0.5976470672884195
Energy: 0.6917141781060213
Energy: 0.8202302666112282
Energy: 0.6917141781068112
Energy: 0.5787207765462228
Energy: 0.6673614812165076
Energy: 0.5981157235451469
Energy: 0.6673614812165076
Energy: 0.6026060328272183
Energy: 0.626620963605023
Energy: 0.8450142337948586
Energy: 0.626620963604233
Energy: 0.580287174808183
Energy: 0.6297661819714823
Energy: 0.6335476601641679
Energy: 0.6297661819706925

minimum gb energy = 0.5597948834036439 eV
minimum distance =  2.31765852004169 Angstroms
sigma value = 15


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

Energy: 0.9772534245526333
Energy: 0.5646770206243861
Energy: 0.9631634227284321
Energy: 0.5646770200258164
Energy: 1.3088956515643113
Energy: 0.5548343119373683
Energy: 0.5548176144058609
Energy: 0.5548343115293798
Energy: 0.6712427988962395
Energy: 0.5620396904385834
Energy: 0.5277322032795859
Energy: 0.5620396904379142
Energy: 1.0818443577939807
Energy: 0.564651208850294
Energy: 0.554784111311893
Energy: 0.5646512088496248
Energy: 0.6452174531960024
Energy: 0.8229111685671182
Energy: 0.5347471567612327
Energy: 0.822911168561765
Energy: 0.9390797102055409
Energy: 0.5535421938275911
Energy: 0.555227369508684
Energy: 0.5535421938269218
Energy: 0.5620319258604605
Energy: 0.5669582729320928
Energy: 0.8661128831185586
Energy: 0.5669582729314238
Energy: 0.7869314450685266
Energy: 0.5633170993345663
Energy: 0.5628250670802015
Energy: 0.5633170993338972
Energy: 0.5555305069205229
Energy: 0.5678254157333659
Energy: 0.9947029092950499
Energy: 0.5678254157333659
Energy: 0.6164440963083392
Energy: 0.5548740051693998
Energy: 0.6445007419433245
Energy: 0.5548740051647157
Energy: 0.5546836887685873
Energy: 0.5533812242561778
Energy: 1.0830439324941212
Energy: 0.553381224257516
Energy: 0.5228818240703419
Energy: 0.5644995711419644
Energy: 0.6737623155603303
Energy: 0.5644995707861075
Energy: 0.5557104914384603
Energy: 0.5732234926292512
Energy: 1.2311749347473417
Energy: 0.5732234926285822
Energy: 0.5266346103169224
Energy: 0.5542956406254608
Energy: 0.9090936627290607
Energy: 0.5542956406234533
Energy: 0.5546601315609645
Energy: 0.5550326958199756
Energy: 1.1535049684831153
Energy: 0.5550326958213139
Energy: 0.7460817516347688
Energy: 0.561105447166912
Energy: 0.671631908059073
Energy: 0.5611054471675812
Energy: 0.5558453529107803
Energy: 0.5755443681419238
Energy: 1.0794611212370548
Energy: 0.5755443680843785
Energy: 0.7496723106902955
Energy: 0.6081647988462436
Energy: 0.6448148087572593
Energy: 0.6081647988382748
Energy: 0.5558909268767601
Energy: 0.553784924496304
Energy: 0.9409785434510474
Energy: 0.5537849245377294
Energy: 0.82374136507068
Energy: 0.5536493521364413
Energy: 0.5628682170669508
Energy: 0.5536493521351639
Energy: 0.5634861517938287
Energy: 0.5809605278494093
Energy: 0.7843500074097518
Energy: 0.5809605278567699
Energy: 0.8439428856405748
Energy: 0.5668135223434505
Energy: 0.5572589904135092
Energy: 0.5668135223488034
Energy: 0.6448614020918587
Energy: 0.5543278428772727
Energy: 0.6137352615116198
Energy: 0.5543278429160824
Energy: 1.1227710664903041
Energy: 0.5531838087139356
Energy: 0.5549970260037261
Energy: 0.5531838087139356
Energy: 0.6720734619599278
Energy: 0.5811048178128295
Energy: 0.598944889489488
Energy: 0.5811048180315752
Energy: 1.1015167398245658
Energy: 0.5666004294563657
Energy: 0.5573966096375947
Energy: 0.5666004294597113
Energy: 0.980094555525414
Energy: 0.5638085241255442
Energy: 0.5262488595558263
Energy: 0.5638085240285806
Energy: 1.2246927505342664
Energy: 0.5531658831551886
Energy: 0.5551675743322505
Energy: 0.5531658831712477
Energy: 0.6720096853572592
Energy: 0.6343520374758632
Energy: 0.5151547126471758
Energy: 0.6343520374845619
Energy: 0.9598220028864728
Energy: 0.575207048928938
Energy: 0.5574731850403812
Energy: 0.5752070489122096
Energy: 0.6450118461510485
Energy: 0.8203254103736036
Energy: 0.7494436587185379
Energy: 0.8203254103742726
Energy: 0.9378806387822463
Energy: 0.553004918104376
Energy: 0.5566656637629724
Energy: 0.553004918104376
Energy: 0.5642767175028764
Energy: 0.6361796121075992
Energy: 0.8229115526223112
Energy: 0.6361796121069302
Energy: 0.634607078041005
Energy: 0.5802659293157364
Energy: 0.5667772942377797
Energy: 0.5802659292729119
Energy: 0.5452456657172842
Energy: 0.610268242699085
Energy: 0.8415139084491435
Energy: 0.6102682427111294
Energy: 0.6107956639944335
Energy: 0.553763573674969
Energy: 0.6460485502183867
Energy: 0.5537635736769764
Energy: 0.5564743344037114
Energy: 0.6369140161661465
Energy: 1.1204321081698028
Energy: 0.6369140161668155

minimum gb energy = 0.5151547126471758 eV
minimum distance =  2.31649710692195 Angstroms
sigma value = 85


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

Energy: 0.855023872592295
Energy: 0.5465190965456072
Energy: 0.6479742789984431
Energy: 0.5465190965461874
Energy: 1.2756373721095275
Energy: 0.5455922250601813
Energy: 0.5044229257470347
Energy: 0.5455922250607353
Energy: 0.8224162314709693
Energy: 0.54451643237192
Energy: 0.6482308750518915
Energy: 0.54451643237192
Energy: 1.0121606112432269
Energy: 0.5450369054866074
Energy: 0.5043073266722662
Energy: 0.5450369054866074
Energy: 0.5441095018044895
Energy: 0.5027902748582287
Energy: 0.4320272460035019
Energy: 0.5027902748582287
Energy: 0.881251080678863
Energy: 0.5443538210859216
Energy: 0.5043094585281372
Energy: 0.5443538210859216
Energy: 0.5030560707348259
Energy: 0.5629141688412567
Energy: 0.46867556696271856
Energy: 0.5629141688406764
Energy: 0.7501340030555925
Energy: 0.5450871926079498
Energy: 0.504220077045159
Energy: 0.5450871926027268
Energy: 0.5040061456339234
Energy: 0.5236216017932155
Energy: 0.6282110783965793
Energy: 0.5236216017932155
Energy: 0.5926556916751164
Energy: 0.5633391836421313
Energy: 0.503330254870189
Energy: 0.5633391836415509
Energy: 0.5050579404687535
Energy: 0.544273311468369
Energy: 0.9551486252890525
Energy: 0.5442733114695296
Energy: 0.43214811904713285
Energy: 0.5449245621119281
Energy: 0.5446240313019363
Energy: 0.5449245621125084
Energy: 0.5042298434041211
Energy: 0.52379431856655
Energy: 1.0152410324355283
Energy: 0.52379431856655
Energy: 0.4253058513124512
Energy: 0.5446776557937896
Energy: 0.8197529147054414
Energy: 0.54467765579437
Energy: 0.5051756969473633
Energy: 0.5447968022967654
Energy: 1.1513599804843995
Energy: 0.5447968022961851
Energy: 0.4313506608735163
Energy: 0.5437648800698771
Energy: 0.8533304547356757
Energy: 0.5437648800710378
Energy: 0.5040872507925831
Energy: 0.5237291038291695
Energy: 1.145061656710915
Energy: 0.5237291038285892
Energy: 0.6305370475004848
Energy: 0.5446651632630003
Energy: 0.8197523972191053
Energy: 0.5446651632630003
Energy: 0.505071915274406
Energy: 0.5456052296697768
Energy: 1.0119977184113098
Energy: 0.5456052296680357
Energy: 0.6340577309753971
Energy: 0.5440622057670262
Energy: 0.5445940057878054
Energy: 0.5440622059056748
Energy: 0.5043114022505066
Energy: 0.5238274412326654
Energy: 0.8815537179661093
Energy: 0.523827441232085
Energy: 0.6218550370260699
Energy: 0.5444150219461643
Energy: 0.5034638420326089
Energy: 0.5444150219461643
Energy: 0.5051019147306584
Energy: 0.5449714692139593
Energy: 0.7505333917231175
Energy: 0.5449714692162806
Energy: 0.654135380713228
Energy: 0.5633017443555353
Energy: 0.5043444799625262
Energy: 0.5633017443566959
Energy: 0.5041854952488836
Energy: 0.5439999751252536
Energy: 0.5924359675678885
Energy: 0.5439999751264142
Energy: 0.9283274600299593
Energy: 0.5444152439042625
Energy: 0.50630007201117
Energy: 0.5444152439042625
Energy: 0.5458283087959226
Energy: 0.5445418519018896
Energy: 0.43131843244862145
Energy: 0.5445418519030504
Energy: 0.9533037995305073
Energy: 0.5627522657292254
Energy: 0.5044375778993297
Energy: 0.5627522657269042
Energy: 0.8185395321227645
Energy: 0.5437537753429139
Energy: 0.4260527778384923
Energy: 0.5437537753434943
Energy: 1.1499702795662647
Energy: 0.5457238432039969
Energy: 0.5064146949318459
Energy: 0.5457238432045773
Energy: 0.8519911315930233
Energy: 0.5436394045237563
Energy: 0.4312991253276862
Energy: 0.543639404526658
Energy: 1.042344660808858
Energy: 0.5628602453169134
Energy: 0.5044819743719454
Energy: 0.5628602453174937
Energy: 0.8185748423744175
Energy: 0.5437939550487139
Energy: 0.4222948598495605
Energy: 0.5437939550492942
Energy: 1.0178460642755787
Energy: 0.5451382761297309
Energy: 0.5064681660962814
Energy: 0.5451382761297309
Energy: 0.5459888369390616
Energy: 0.544315393314456
Energy: 0.6319493173358793
Energy: 0.544315393301715
Energy: 0.7822605727341434
Energy: 0.5629662687864567
Energy: 0.5045792949222011
Energy: 0.5629662687847158
Energy: 0.5043702890851897
Energy: 0.5436151015719091
Energy: 0.6225323042524128
Energy: 0.5436151015707483
Energy: 0.7500885815784114
Energy: 0.5442342439274159
Energy: 0.5064539351308713
Energy: 0.5442342439285766
Energy: 0.5052463244441371
Energy: 0.784891156999441
Energy: 0.6544897703724281
Energy: 0.784891156999441
Energy: 0.46018112563718583
Energy: 0.5813518335947433
Energy: 0.505548855276402
Energy: 0.5813518335953237
Energy: 0.5079345368462644
Energy: 0.5435814673954572
Energy: 0.9270910457043926
Energy: 0.5435814673948769
Energy: 0.43131062299498235
Energy: 0.5445611617608432
Energy: 0.5480083411058256
Energy: 0.5445611617608432
Energy: 0.505390432497926
Energy: 0.7855086177776739
Energy: 0.9603997369460587
Energy: 0.7855086177776739

minimum gb energy = 0.4222948598495605 eV
minimum distance =  2.2520331669945 Angstroms
sigma value = 113


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

Energy: 0.018682401144765323
Energy: 0.019503636516524196
Energy: 0.7103092403156228
Energy: 0.019503636516524196
Energy: 0.7096283020986653
Energy: -0.5425801660370568
Energy: -0.5426369677630428
Energy: -0.5425801660375029
Energy: 0.018682401144765323
Energy: 0.019503636516970332
Energy: 0.710308294104825
Energy: 0.019503636516524196
Energy: 0.7096283020986653
Energy: -0.5425801660379491
Energy: -0.5426369677625965
Energy: -0.5425801660379491
Energy: 0.018682401144765323
Energy: 0.019503636516970332
Energy: 0.7102981452536237
Energy: 0.019503636516524196
Energy: 0.7096283020982191
Energy: -0.5425801660383952
Energy: -0.5426369677630428
Energy: -0.5425801660388414

minimum gb energy = -0.5426369677630428 eV
minimum distance =  2.45663464891761 Angstroms
sigma value = 1