Model name: model_name=MEAM_LAMMPS_AsadiZaeemNouranian_2015_Fe__MO_492310898779_001
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=4.246784762095345
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: 0.01651034929887585
Energy: 0.01693929459683139
Energy: 0.01659197067977059
Energy: 0.01693929459683139
Energy: 0.016939294598058197
Energy: 1.2762942453720418
Energy: 0.01693929459683139
Energy: 1.2762942453720418
Energy: 0.01659197067977059
Energy: 0.016939294597427264
Energy: 0.01651034929887585
Energy: 0.016939294597427264
Energy: 0.016939294597427264
Energy: 1.2762942453720418
Energy: 0.016939294597427264
Energy: 1.2762942453720418

minimum gb energy = 0.01651034929887585 eV
minimum distance =  2.48168802907066 Angstroms
sigma value = 1


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

Energy: 0.9554713963608512
Energy: 1.1091363842938582
Energy: 0.8178237435418492
Energy: 1.1091363842923276
Energy: 0.9216739471321301
Energy: 1.1023501867643655
Energy: 0.919289595768069
Energy: 1.1023501867651306
Energy: 0.9032734334840237
Energy: 1.0985199424630578
Energy: 0.914083943812851
Energy: 1.098519942462293
Energy: 0.9058309441926117
Energy: 1.1158003574823583
Energy: 0.9190142246684877
Energy: 1.1158003574815933
Energy: 0.909275957032993
Energy: 1.111928961056927
Energy: 0.9213349359692471
Energy: 1.111928961057692
Energy: 0.8648155747096261
Energy: 1.2921669082380927
Energy: 0.9045739858038817
Energy: 1.2921669082373275
Energy: 0.9245783597006905
Energy: 1.0978389826674024
Energy: 0.8663604220334967
Energy: 1.0978389826681678
Energy: 0.7916516409727099
Energy: 1.1097640947767078
Energy: 0.8937679222857692
Energy: 1.1097640947759426
Energy: 0.9150517103833159
Energy: 1.260567145593459
Energy: 0.9186734028828553
Energy: 1.2605671455965195
Energy: 0.905764944797454
Energy: 1.0986599872975766
Energy: 0.777302838556253
Energy: 1.0986599872968112
Energy: 0.9149299021038786
Energy: 1.034982211124529
Energy: 0.9150224386944305
Energy: 1.0349822111252942
Energy: 0.8687117438028648
Energy: 1.110554394372473
Energy: 0.9203404412594882
Energy: 1.110554394371708
Energy: 0.9192412291102885
Energy: 1.098314672864768
Energy: 0.9250421908118319
Energy: 1.098314672864768
Energy: 0.9147269925225613
Energy: 1.1002863353806263
Energy: 0.9146137013326155
Energy: 1.1002863353798609
Energy: 0.9181346553337881
Energy: 1.1094167403478268
Energy: 0.9126144025968924
Energy: 1.1094167403478268
Energy: 0.9061619199030204
Energy: 1.1107069292427676
Energy: 0.91182732229024
Energy: 1.1107069292427676
Energy: 0.9135448060179626
Energy: 1.0986225759891128
Energy: 0.8531505567812881
Energy: 1.0986225759875825
Energy: 0.9211160892010928
Energy: 1.0235924267095229
Energy: 0.9223061670389257
Energy: 1.0235924267095229
Energy: 0.7767126305970707
Energy: 1.1121736462522933
Energy: 0.9226329937614305
Energy: 1.1121736462515281
Energy: 0.9226642188569922
Energy: 0.917145508842087
Energy: 0.9170633946527006
Energy: 0.9171455088428523
Energy: 0.9042360972659996
Energy: 1.0983114508734473
Energy: 0.8440511429227613
Energy: 1.0983114508742122
Energy: 0.9155955521560428
Energy: 1.2237915035691411
Energy: 0.9065615678609769
Energy: 1.2237915035691411
Energy: 0.92024460782007
Energy: 1.1119675113321197
Energy: 0.850869529051126
Energy: 1.1119675113321197
Energy: 0.90687292096262
Energy: 1.1017815805514932
Energy: 0.8652012951125597
Energy: 1.1017815805514932
Energy: 0.8660631345855202
Energy: 1.2925172625165042
Energy: 0.9251674154453263
Energy: 1.2925172625165042
Energy: 0.9056451511541259
Energy: 1.1097356568064776
Energy: 0.8493603558463708
Energy: 1.1097356568057122
Energy: 0.9173510380403644
Energy: 1.299447038232677
Energy: 0.9140840496503485
Energy: 1.2994470382334422
Energy: 0.8383023130074351
Energy: 1.0971632414764811
Energy: 0.9110284371623122
Energy: 1.0971632414757162
Energy: 0.9197236177703761
Energy: 1.1038850096798103
Energy: 0.9146943242609828
Energy: 1.1038850096790451
Energy: 0.9217750431577318
Energy: 1.1100817995137358
Energy: 0.8679213837485533
Energy: 1.1100817995129706
Energy: 0.9268578430140519
Energy: 1.1015869016956759
Energy: 0.9179173403740319
Energy: 1.1015869016949107
Energy: 0.913182738473777
Energy: 1.0990540689119204
Energy: 0.9142343798844519
Energy: 1.0990540689111554
Energy: 0.9084938834290986
Energy: 1.1147224798380886
Energy: 0.921629253305475
Energy: 1.1147224798380886

minimum gb energy = 0.7767126305970707 eV
minimum distance =  2.23918079293572 Angstroms
sigma value = 1


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

Energy: 1.0384572590318093
Energy: 1.193819644487076
Energy: 0.8778552924794139
Energy: 1.193819644487076
Energy: 0.9782851375210877
Energy: 1.1140073461612459
Energy: 0.9786225991726613
Energy: 1.1140073461621183
Energy: 0.8993724401605746
Energy: 1.198264832749735
Energy: 0.9963984493102082
Energy: 1.1982648327506074
Energy: 0.9804705976600856
Energy: 1.0993568781387435
Energy: 0.9297680975980462
Energy: 1.0993568781404883
Energy: 0.9812807016387415
Energy: 1.172133056770857
Energy: 0.9826671082929913
Energy: 1.172133056770857
Energy: 0.9583570123874386
Energy: 1.1723873507459275
Energy: 0.94949872970344
Energy: 1.1723873507476728
Energy: 0.9832738906589632
Energy: 0.9883576544080125
Energy: 0.9901142785675867
Energy: 0.9883576544071401
Energy: 0.8317757447084496
Energy: 1.193057906581374
Energy: 0.9088488035611673
Energy: 1.1930579065822462
Energy: 0.9765826913132482
Energy: 0.9921735466325008
Energy: 0.9781555355543429
Energy: 0.9921735466307559
Energy: 0.9858216326003418
Energy: 1.196924024621095
Energy: 0.8792694756012098
Energy: 1.1969240246202226
Energy: 0.9834494215503335
Energy: 1.0930240665831688
Energy: 0.9877296199712449
Energy: 1.093024066581424
Energy: 0.9071955918807005
Energy: 1.1825117538637404
Energy: 0.9980567057373776
Energy: 1.1825117538637404
Energy: 0.9866271945623819
Energy: 1.1735104801005314
Energy: 0.9784143615325706
Energy: 1.173510480097914
Energy: 0.9863078887488401
Energy: 1.1734647804278626
Energy: 0.9829016536770504
Energy: 1.17346478043048
Energy: 0.9066403862018236
Energy: 1.182533628399704
Energy: 0.9976400512829635
Energy: 1.182533628397959
Energy: 0.9833265467183319
Energy: 1.0939334837615675
Energy: 0.9903090023319672
Energy: 1.0939334837598624
Energy: 0.9863106344102899
Energy: 1.1972042968066212
Energy: 0.8490447308447568
Energy: 1.1972042968066212
Energy: 0.97667298325406
Energy: 0.9897903172238147
Energy: 0.9781292644092585
Energy: 0.98979031722207
Energy: 0.8318107159215645
Energy: 1.192705911264445
Energy: 0.9387474602754632
Energy: 1.192705911264445
Energy: 0.9834958787319997
Energy: 0.9884232156107243
Energy: 0.9265098004334256
Energy: 0.9884232156115966
Energy: 0.9575745245559757
Energy: 1.1724069826132522
Energy: 0.9804131087791439
Energy: 1.1724069826123797
Energy: 0.9811467774849187
Energy: 1.1721488111181184
Energy: 0.9741654738099146
Energy: 1.1721488111181184
Energy: 0.9805210412989523
Energy: 1.099873784433931
Energy: 0.9917673964576282
Energy: 1.0998737844348034
Energy: 0.8992835958234904
Energy: 1.1982811882194442
Energy: 0.9956917387781278
Energy: 1.1982811882176994
Energy: 0.9783186467458806
Energy: 1.1137066741461092
Energy: 0.9784862663658702
Energy: 1.1137066741469817
Energy: 1.038457259035299
Energy: 1.193819644487076
Energy: 0.9024368924368764
Energy: 1.193819644487076
Energy: 0.9782851375193428
Energy: 1.1140073461621183
Energy: 0.9786225991709164
Energy: 1.1140073461612459
Energy: 0.8993724401588299
Energy: 1.1982648327506074
Energy: 0.9737959585077913
Energy: 1.1982648327506074
Energy: 0.9804705976600856
Energy: 1.099356878139616
Energy: 0.9195182988637567
Energy: 1.0993568781387435

minimum gb energy = 0.8317757447084496 eV
minimum distance =  2.24142640578864 Angstroms
sigma value = 25


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

Energy: 1.1124447197669889
Energy: 1.2714108905333246
Energy: 0.9533272650323062
Energy: 1.2714108905333246
Energy: 1.0756884874324129
Energy: 1.1854322225119776
Energy: 1.0704303363286098
Energy: 1.1854322225129916
Energy: 0.9764178032877571
Energy: 1.2994161150191206
Energy: 1.0756446266816455
Energy: 1.2994161150191206
Energy: 1.0574928700086044
Energy: 1.2092476100455718
Energy: 1.0012720042594114
Energy: 1.2092476100455718
Energy: 1.001663697373649
Energy: 1.2693999863058119
Energy: 1.0213462657556533
Energy: 1.2693999863058119
Energy: 1.0530604559727077
Energy: 1.2994965085426895
Energy: 1.0726977177860617
Energy: 1.2994965085437036
Energy: 1.073912487039591
Energy: 1.0794890283146112
Energy: 1.032208187526523
Energy: 1.0794890283156255
Energy: 0.9858503272789778
Energy: 1.27545339505754
Energy: 0.9312781365476818
Energy: 1.27545339505754
Energy: 1.0327777497187638
Energy: 1.1858790049411054
Energy: 1.0743970415521158
Energy: 1.1858790049411054
Energy: 1.0803520468213026
Energy: 1.2990718460179365
Energy: 0.9901709417494989
Energy: 1.2990718460189505
Energy: 1.0609878677464681
Energy: 1.271287452834468
Energy: 1.0671025671691465
Energy: 1.271287452834468
Energy: 1.0050866430996739
Energy: 1.2724690676996857
Energy: 1.071371092387312
Energy: 1.2724690676996857
Energy: 1.0752546938398182
Energy: 1.205557741220714
Energy: 0.988912671413274
Energy: 1.2055577412217282
Energy: 1.0316326268201208
Energy: 1.073598670726176
Energy: 1.07564424881889
Energy: 1.073598670726176
Energy: 0.9194582838931659
Energy: 1.271238857373146
Energy: 0.9288366046617849
Energy: 1.271238857373146
Energy: 1.0719427860422452
Energy: 1.0791163773256018
Energy: 1.006798384460773
Energy: 1.0791163773256018
Energy: 0.8988124818193349
Energy: 1.299327325546784
Energy: 0.89934267961484
Energy: 1.299327325546784
Energy: 1.0015359528167447
Energy: 1.1980740294309051
Energy: 1.051864019104518
Energy: 1.1980740294319194
Energy: 1.056171088854356
Energy: 1.2097961433050022
Energy: 1.0016485925603795
Energy: 1.209796143303988
Energy: 1.0718335230692408
Energy: 1.2994567986540524
Energy: 1.0768340717608
Energy: 1.2994567986540524
Energy: 1.0865404509751426
Energy: 1.1841452551255747
Energy: 1.0713371161104817
Energy: 1.1841452551255747
Energy: 1.1100885814230632
Energy: 1.2727586058679514
Energy: 1.0253200025927731
Energy: 1.2727586058669373
Energy: 1.0696547427467655
Energy: 1.194448685647117
Energy: 1.0717668668928788
Energy: 1.194448685647117
Energy: 0.9727146956047701
Energy: 1.3043577225190113
Energy: 1.08014980971762
Energy: 1.3043577225190113
Energy: 1.0689298998966748
Energy: 1.0848620582589188
Energy: 1.005898290340861
Energy: 1.0848620582609472

minimum gb energy = 0.8988124818193349 eV
minimum distance =  2.24875989870988 Angstroms
sigma value = 9


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

Energy: 1.2559316596180952
Energy: 1.2101244792593229
Energy: 1.043723366048147
Energy: 1.2101244792593229
Energy: 1.1364763189404907
Energy: 1.3006607170721705
Energy: 1.1793332126054226
Energy: 1.3006607170733802
Energy: 1.0623885201847565
Energy: 1.1998770442626885
Energy: 1.0951478867509314
Energy: 1.1998770442626885
Energy: 1.2043737806496004
Energy: 1.3039992916911103
Energy: 1.0231613625671532
Energy: 1.3039992916923202
Energy: 1.1655535486576594
Energy: 1.2979020068379445
Energy: 1.1069460583837833
Energy: 1.2979020068379445
Energy: 0.9751110022087749
Energy: 1.1949452409512304
Energy: 1.1038032933384265
Energy: 1.1949452409524401
Energy: 1.2097289643370133
Energy: 1.0238995680117386
Energy: 1.0296517316835436
Energy: 1.0238995680117386
Energy: 1.0436003830973755
Energy: 1.1948242059984304
Energy: 1.0215048486718015
Energy: 1.1948242059984304
Energy: 1.2004044581968067
Energy: 1.3007788857845246
Energy: 1.174594469115345
Energy: 1.3007788857845246
Energy: 1.2055842912233685
Energy: 1.1998758223120078
Energy: 1.1028725765475151
Energy: 1.1998758223107981
Energy: 1.0908877644515573
Energy: 1.3396299598370456
Energy: 1.0951560022837656
Energy: 1.3396299598394652
Energy: 1.203280732671801
Energy: 1.2140104352011145
Energy: 1.023316835307572
Energy: 1.2140104352011145
Energy: 0.9768646296262158
Energy: 1.2110991523085992
Energy: 0.9752273477434599
Energy: 1.2110991523085992
Energy: 1.091383190843292
Energy: 1.201009024205876
Energy: 1.1830142636978902
Energy: 1.201009024205876
Energy: 0.9768461705281957
Energy: 1.2109492987234853
Energy: 1.0439640287275684
Energy: 1.2109492987222756
Energy: 1.2029556334494724
Energy: 1.2138069485018232
Energy: 1.0233556943411366
Energy: 1.2138069485018232
Energy: 1.0907798371650033
Energy: 1.3397917175605667
Energy: 1.0952875976503083
Energy: 1.3397917175605667
Energy: 1.2057288079805168
Energy: 1.1987138949447773
Energy: 1.1029131742778773
Energy: 1.1987138949447773
Energy: 1.200804680542864
Energy: 1.300816064699693
Energy: 1.1070984181661465
Energy: 1.300816064699693
Energy: 1.043506898065309
Energy: 1.1955064660369092
Energy: 1.021940936429347
Energy: 1.1955064660356993
Energy: 1.2097475886744788
Energy: 1.0237505205395139
Energy: 1.0296808960637047
Energy: 1.0237505205407236

minimum gb energy = 0.9751110022087749 eV
minimum distance =  2.3080325924339 Angstroms
sigma value = 25


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

Energy: 1.1136642305952131
Energy: 1.4436250083956466
Energy: 1.1607845075347256
Energy: 1.4436250083956466
Energy: 1.0898225869092324
Energy: 1.45510045834523
Energy: 1.06645281136008
Energy: 1.4551004583467262
Energy: 1.0693000936394799
Energy: 1.472056669494377
Energy: 1.06611698744958
Energy: 1.472056669492881
Energy: 1.1087575309659679
Energy: 1.4443372282548426
Energy: 1.146202472832024
Energy: 1.4443372282548426
Energy: 1.1496967168778485
Energy: 1.0873628241190727
Energy: 1.1640411180432562
Energy: 1.0873628241175766
Energy: 1.0666888572823454
Energy: 1.4684022841918527
Energy: 1.0680309544121138
Energy: 1.468402284193349
Energy: 1.1171242817802696
Energy: 1.2768510942370865
Energy: 1.0672909034326215
Energy: 1.276851094238583
Energy: 1.147375125061949
Energy: 1.4408256148533913
Energy: 1.1077330358413129
Energy: 1.4408256148533913
Energy: 1.066221643016783
Energy: 1.284973994978364
Energy: 1.090845988133261
Energy: 1.284973994978364
Energy: 1.2043379913523395
Energy: 1.3087349098113632
Energy: 1.0688290602193293
Energy: 1.3087349098113632
Energy: 1.1002191115163091
Energy: 1.443198300656646
Energy: 1.2175957272621134
Energy: 1.4431983006551499
Energy: 1.066293461664123
Energy: 1.1215316940256133
Energy: 1.2104649885997145
Energy: 1.1215316940256133
Energy: 1.1624322244161076
Energy: 1.4720971001346401
Energy: 1.0686696681914842
Energy: 1.4720971001346401
Energy: 1.0670140309364433
Energy: 1.4428014927819646
Energy: 1.1093640437520638
Energy: 1.4428014927819646
Energy: 1.066127107722096
Energy: 1.4428335723909007
Energy: 1.1490461603405269
Energy: 1.4428335723909007
Energy: 1.0880435287825483
Energy: 1.3082300113665726
Energy: 1.0717460632610623
Energy: 1.3082300113665726
Energy: 1.0669221911026507
Energy: 1.1720319329743527
Energy: 1.2067556751593158
Energy: 1.1720319329743527

minimum gb energy = 1.06611698744958 eV
minimum distance =  2.2958818234039 Angstroms
sigma value = 17


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

Energy: 1.2885644475134999
Energy: 1.2846384616979605
Energy: 1.2639886971800265
Energy: 1.2846384616979605
Energy: 1.2522199241634595
Energy: 1.2622262558760535
Energy: 1.1119995164671033
Energy: 1.2622262558760535
Energy: 1.1856015461301
Energy: 1.2664256476955338
Energy: 1.1115045508265793
Energy: 1.2664256476955338
Energy: 1.1161489140934497
Energy: 1.2798900024243085
Energy: 1.2486451577171185
Energy: 1.2798900024243085
Energy: 1.2311332216787454
Energy: 1.369161736007971
Energy: 1.1756435421227955
Energy: 1.3691617360071235
Energy: 1.1366872030403952
Energy: 1.2794613608591705
Energy: 1.1623348022938398
Energy: 1.2794613608591705
Energy: 1.1189214814454076
Energy: 1.2610544984667758
Energy: 1.1161286139382562
Energy: 1.2610544984642338
Energy: 1.164552822948208
Energy: 1.2862685878014004
Energy: 1.1294215280539557
Energy: 1.286268587802248
Energy: 1.1311233343278968
Energy: 1.3323390904981907
Energy: 1.212858942905711
Energy: 1.3323390904981907
Energy: 1.2679896429233228
Energy: 1.232794373401914
Energy: 1.1121577036227306
Energy: 1.2327943734010667
Energy: 1.1196462674306569
Energy: 1.2848580715893998
Energy: 1.1898693869827748
Energy: 1.2848580715902471
Energy: 1.1328048838197022
Energy: 1.2604156253950103
Energy: 1.1335630575466833
Energy: 1.2604156253950103
Energy: 1.2427743441574093
Energy: 1.2805022788170795
Energy: 1.2864510771913704
Energy: 1.280502278818774
Energy: 1.1116403662937453
Energy: 1.4541507949261931
Energy: 1.2020520079390056
Energy: 1.4541507949270405
Energy: 1.209173161959798
Energy: 1.3337008115225475
Energy: 1.133048375981971
Energy: 1.3337008115225475
Energy: 1.1806889354601302
Energy: 1.2857685043446212
Energy: 1.1640283472210906
Energy: 1.2857685043454685
Energy: 1.1163494515065855
Energy: 1.3279065418502518
Energy: 1.311035177198496
Energy: 1.3279065418502518
Energy: 1.1859579591436897
Energy: 1.2712548870674767
Energy: 1.1365937316873447
Energy: 1.2712548870674767
Energy: 1.2017212598584786
Energy: 1.3396363291748135
Energy: 1.172697889888898
Energy: 1.3396363291756608
Energy: 1.2652744316323306
Energy: 1.280838385807254
Energy: 1.116513055623773
Energy: 1.2808383858064065
Energy: 1.1384759540995943
Energy: 1.2713740366101758
Energy: 1.184947761947903
Energy: 1.2713740366101758
Energy: 1.1146043271624293
Energy: 1.273853803720027
Energy: 1.27513609242711
Energy: 1.2738538037208746
Energy: 1.2293874841477692
Energy: 1.285307679123582
Energy: 1.114514307387309
Energy: 1.2853076791227345
Energy: 1.219157630579081
Energy: 1.3378859123599365
Energy: 1.1860505268986743
Energy: 1.3378859123599365
Energy: 1.2857540717696436
Energy: 1.2663417836263064
Energy: 1.1846812243138016
Energy: 1.2663417836263064
Energy: 1.2662218603423694
Energy: 1.2803760191072744
Energy: 1.1156988971758561
Energy: 1.280376019108122
Energy: 1.203518560907455
Energy: 1.2749371032233185
Energy: 1.3104959415767294
Energy: 1.2749371032241659
Energy: 1.1618357497151532
Energy: 1.2937742242999992
Energy: 1.1863809814546415
Energy: 1.2937742242999992
Energy: 1.3190766396816282
Energy: 1.4408407644688583
Energy: 1.1187538297881185
Energy: 1.4408407644688583
Energy: 1.1295020249723287
Energy: 1.3403525754224468
Energy: 1.1865503184775676
Energy: 1.3403525754215995

minimum gb energy = 1.1115045508265793 eV
minimum distance =  2.23105716879105 Angstroms
sigma value = 53


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

Energy: 1.1152987199172002
Energy: 1.1126665354618857
Energy: 1.2161949537555028
Energy: 1.1126665354638365
Energy: 1.2545366765675718
Energy: 1.2300563135005318
Energy: 1.1334199173330384
Energy: 1.2300563135005318
Energy: 1.115961378215389
Energy: 1.112350345884691
Energy: 1.2509461519176377
Energy: 1.112350345884691
Energy: 1.1159541422767634
Energy: 1.112223066434197
Energy: 1.1729961914029623
Energy: 1.112223066434197
Energy: 1.2548928940873108
Energy: 1.2299716054887928
Energy: 1.1137642186682692
Energy: 1.2299716054887928
Energy: 1.1152987199172002
Energy: 1.1126665354618857
Energy: 1.240613164367594
Energy: 1.1126665354638365
Energy: 1.2545366765675718
Energy: 1.2300563135005318
Energy: 1.1733025111776767
Energy: 1.2300563135005318
Energy: 1.115961378215389
Energy: 1.112350345884691
Energy: 1.251006416211451
Energy: 1.112350345884691
Energy: 1.1159541422767634
Energy: 1.112223066434197
Energy: 1.2055752533290094
Energy: 1.112223066434197
Energy: 1.2548928940873108
Energy: 1.2299716054887928
Energy: 1.1536974068590975
Energy: 1.2299716054887928
Energy: 1.1152987199172002
Energy: 1.1126665354618857
Energy: 1.240632055772618
Energy: 1.1126665354618857
Energy: 1.2545366765695225
Energy: 1.2300563135005318
Energy: 1.2055361579813249
Energy: 1.2300563135005318
Energy: 1.115961378213438
Energy: 1.112350345884691
Energy: 1.2509845055281308
Energy: 1.112350345884691

minimum gb energy = 1.112223066434197 eV
minimum distance =  2.28190636700979 Angstroms
sigma value = 9


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

Energy: 1.2178112275840631
Energy: 1.254612023868091
Energy: 1.4444196052969238
Energy: 1.254612023867369
Energy: 1.3322022140322425
Energy: 1.238068751558297
Energy: 1.1882081822529975
Energy: 1.238068751558297
Energy: 1.1436565598430788
Energy: 1.1984966468803548
Energy: 1.1968212593593974
Energy: 1.198496646879633
Energy: 1.2005633417218304
Energy: 1.2875629105160233
Energy: 1.1524602648699551
Energy: 1.2875629105160233
Energy: 1.2432831972935596
Energy: 1.263339441329968
Energy: 1.159878694407819
Energy: 1.263339441329246
Energy: 1.2012291383014153
Energy: 1.198207421338407
Energy: 1.182956201468551
Energy: 1.198207421338407
Energy: 1.3614760221879225
Energy: 1.2568834390118664
Energy: 1.1885802202442672
Energy: 1.2568834390111445
Energy: 1.1593562454760955
Energy: 1.2723382037720024
Energy: 1.2592881254355321
Energy: 1.2723382037698363
Energy: 1.1464310067454366
Energy: 1.30951105324654
Energy: 1.205168911811146
Energy: 1.3095110532486407
Energy: 1.144692160884532
Energy: 1.2348753055480644
Energy: 1.1891012167718624
Energy: 1.2348753055480644
Energy: 1.161435239789364
Energy: 1.2193350267547316
Energy: 1.2962649028513407
Energy: 1.219335026479766
Energy: 1.283505451524671
Energy: 1.3292124972560857
Energy: 1.1490359994658257
Energy: 1.3292124972575299
Energy: 1.1458064373101804
Energy: 1.2303552334313794
Energy: 1.284029250626099
Energy: 1.2303552334313794
Energy: 1.2061377988140027
Energy: 1.5439512031601783
Energy: 1.222514267813194
Energy: 1.5439512031601783
Energy: 1.205206922908689
Energy: 1.2558306548082734
Energy: 1.2250252900896608
Energy: 1.2558306548075515
Energy: 1.1494216421783428
Energy: 1.3097764063600357
Energy: 1.189542397049636
Energy: 1.3097764063585913
Energy: 1.2007816882799807
Energy: 1.2560983007130766
Energy: 1.2028979710425032
Energy: 1.2560983006776965
Energy: 1.1651489639543555
Energy: 1.257505934148819
Energy: 1.3020230232067216
Energy: 1.257505934148819
Energy: 1.3041720563540944
Energy: 1.228892672115539
Energy: 1.2030998339276782
Energy: 1.228892672115539
Energy: 1.1902845925366359
Energy: 1.2508413714760842
Energy: 1.2224389881872435
Energy: 1.2508413714760842
Energy: 1.2059487001935147
Energy: 1.2874729766313635
Energy: 1.2027008267013088
Energy: 1.2874729766313635
Energy: 1.220935306406959
Energy: 1.2750841929521082
Energy: 1.1446789975984941
Energy: 1.2750841929521082
Energy: 1.205671510030864
Energy: 1.274580053375868
Energy: 1.146642983471203
Energy: 1.2745800533780338
Energy: 1.35260130010339
Energy: 1.1992057434853423
Energy: 1.1590415424445635
Energy: 1.1992057434831762
Energy: 1.188446573465402
Energy: 1.3281941662551433
Energy: 1.402320851227887
Energy: 1.3281941662544212
Energy: 1.1632260107282824
Energy: 1.1984499419671206
Energy: 1.1442824892967767
Energy: 1.1984499419663985
Energy: 1.1952205145077686
Energy: 1.269253624431207
Energy: 1.2000376824730907
Energy: 1.2692536244600885
Energy: 1.2101043577738944
Energy: 1.2875350218366273
Energy: 1.2009321474694796
Energy: 1.2875350218344612
Energy: 1.192964372792626
Energy: 1.1981587327486156
Energy: 1.1432297517689065
Energy: 1.1981587327486156
Energy: 1.1880805432986992
Energy: 1.3302255147312187
Energy: 1.4040897624913369
Energy: 1.3302255147312187
Energy: 1.349656874742927
Energy: 1.2593116827806008
Energy: 1.1585041761021226
Energy: 1.2593116827813229
Energy: 1.2284836031825845
Energy: 1.25844627939536
Energy: 1.1446306421667467
Energy: 1.2584462793946378
Energy: 1.188657292103173
Energy: 1.2756151767626887
Energy: 1.1436841356844338
Energy: 1.2756151767612445
Energy: 1.196044816260578
Energy: 1.287740612701279
Energy: 1.200565042124084
Energy: 1.287740612700557
Energy: 1.159824827284285
Energy: 1.303264516741547
Energy: 1.3608972287520684
Energy: 1.303264516740103

minimum gb energy = 1.1432297517689065 eV
minimum distance =  2.29424631202723 Angstroms
sigma value = 73


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

Energy: 1.3070090917838102
Energy: 1.3041846638097563
Energy: 1.299060147806676
Energy: 1.3041846638097563
Energy: 1.2955896589360218
Energy: 1.3182015121029174
Energy: 1.2005260490290717
Energy: 1.3182015121029174
Energy: 1.1602995238032034
Energy: 1.1954542084687478
Energy: 1.1789344928165122
Energy: 1.1954542084698936
Energy: 1.1255039751348141
Energy: 1.320694453253157
Energy: 1.1814704081704883
Energy: 1.320694453253157
Energy: 1.1695493252070566
Energy: 1.293814918767498
Energy: 1.1787278904769918
Energy: 1.293814918767498
Energy: 1.1823179937876145
Energy: 1.4741486179194498
Energy: 1.2058999585467973
Energy: 1.4741486179183045
Energy: 1.3812996853677
Energy: 1.3438944887120101
Energy: 1.1550174145510144
Energy: 1.3438944887108644
Energy: 1.1496825941704756
Energy: 1.213459404187563
Energy: 1.3251251020643704
Energy: 1.213459404187563
Energy: 1.2748913033188274
Energy: 1.2146910488354898
Energy: 1.2119179292452111
Energy: 1.2146910488354898
Energy: 1.1575069121847026
Energy: 1.2520244037473645
Energy: 1.1565207309047467
Energy: 1.2520244037473645
Energy: 1.1456320107611655
Energy: 1.2144561731235164
Energy: 1.2454279066091607
Energy: 1.2144561731235164
Energy: 1.2587251378341404
Energy: 1.3238862952060242
Energy: 1.1246203961487957
Energy: 1.3238862952048787
Energy: 1.1815425830275241
Energy: 1.289051902533391
Energy: 1.3539210180028909
Energy: 1.289051902533391
Energy: 1.2642749536285967
Energy: 1.2982755554265237
Energy: 1.1828673658907467
Energy: 1.2982755554265237
Energy: 1.168410113380865
Energy: 1.3313426865886575
Energy: 1.3613959112713183
Energy: 1.3313426865886575
Energy: 1.245135771148131
Energy: 1.2138280942801283
Energy: 1.149965565010135
Energy: 1.2138280942801283
Energy: 1.256597808714748
Energy: 1.2532169669486748
Energy: 1.1571122412740322
Energy: 1.2532169669486748
Energy: 1.25523656857688
Energy: 1.4195226610943634
Energy: 1.156553210031667
Energy: 1.4195226610943634
Energy: 1.1524896899856354
Energy: 1.2137132489069165
Energy: 1.1494354467274541
Energy: 1.213713248908062
Energy: 1.2008979861433382
Energy: 1.2712259305045457
Energy: 1.42513343198525
Energy: 1.2712259305045457
Energy: 1.2851339989078665
Energy: 1.439081537469646
Energy: 1.186254533435316
Energy: 1.439081537469646
Energy: 1.202175742453619
Energy: 1.3010559187098347
Energy: 1.2741218208829748
Energy: 1.3010559187098347

minimum gb energy = 1.1246203961487957 eV
minimum distance =  2.2649566854565 Angstroms
sigma value = 7


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

Energy: 1.243134217837023
Energy: 1.2385099415428829
Energy: 1.3067837800761282
Energy: 1.2385099415453134
Energy: 1.334363620088337
Energy: 1.2621548222936958
Energy: 1.1974020714446991
Energy: 1.2621548222928858
Energy: 1.1671419119023378
Energy: 1.4542739212726965
Energy: 1.1608303749159685
Energy: 1.4542739212694564
Energy: 1.1358074970273146
Energy: 1.3156103143608595
Energy: 1.1951725837635638
Energy: 1.3156103143632896
Energy: 1.1784251709884268
Energy: 1.2741366695326484
Energy: 1.178899660757024
Energy: 1.2741366695334584
Energy: 1.1704856543501079
Energy: 1.2383149517446999
Energy: 1.2557195165919843
Energy: 1.2383149517438898
Energy: 1.366855766789983
Energy: 1.2865348280791173
Energy: 1.1778351767552844
Energy: 1.2865348280864075
Energy: 1.1700734082732778
Energy: 1.2390620195152984
Energy: 1.3865767454922056
Energy: 1.2390620195136781
Energy: 1.2784097973188366
Energy: 1.2960378939986106
Energy: 1.191688181342149
Energy: 1.2960378939978006
Energy: 1.1750548272001469
Energy: 1.282680322362764
Energy: 1.2627835820307478
Energy: 1.282680322361954
Energy: 1.1412023298746776
Energy: 1.451402228613367
Energy: 1.15614659813889
Energy: 1.451402228614177
Energy: 1.2173305511941683
Energy: 1.274463556347752
Energy: 1.1527696829042824
Energy: 1.274463556345322
Energy: 1.2357225826251694
Energy: 1.2396055350497655
Energy: 1.156563169915842
Energy: 1.2396055350497655
Energy: 1.1611617717215414
Energy: 1.223206381770992
Energy: 1.1520399464657842
Energy: 1.223206381773422
Energy: 1.17635741810094
Energy: 1.3614946715067993
Energy: 1.367397003264693
Energy: 1.3614946715076095
Energy: 1.3086479275637295
Energy: 1.2236464989136597
Energy: 1.188383241258317
Energy: 1.2236464989128495
Energy: 1.1769446425157246
Energy: 1.2815023386827924
Energy: 1.310500094843694
Energy: 1.2815023386844127
Energy: 1.1788661383652905
Energy: 1.2326411581805612
Energy: 1.1525028842100007
Energy: 1.232641158179751
Energy: 1.1738493962277596
Energy: 1.238425793502819
Energy: 1.1561971116145184
Energy: 1.238425793502819
Energy: 1.1746011496559035
Energy: 1.2735960375437123
Energy: 1.1531651873556712
Energy: 1.2735960375445223
Energy: 1.1403371696882443
Energy: 1.3141516225744478
Energy: 1.1919532520986496
Energy: 1.3141516225841685
Energy: 1.1752406060140748
Energy: 1.3325065550986284
Energy: 1.330543523911478
Energy: 1.3325065550978183
Energy: 1.3193259234025776
Energy: 1.269198400861617
Energy: 1.1747902715816552
Energy: 1.2691984008599968
Energy: 1.246048335964459
Energy: 1.239147017608219
Energy: 1.246045796659832
Energy: 1.2391470176090291
Energy: 1.198608931445048
Energy: 1.2740309128486953
Energy: 1.173605581300643
Energy: 1.2740309128486953
Energy: 1.1353290316152378
Energy: 1.451167631411974
Energy: 1.1470675055166437
Energy: 1.4511676314127842
Energy: 1.1672927775581197
Energy: 1.2829177311621154
Energy: 1.218238883832194
Energy: 1.2829177311613051
Energy: 1.136119304360747
Energy: 1.2808176612425006
Energy: 1.2007947535906531
Energy: 1.2808176612433104
Energy: 1.1665734265764132
Energy: 1.2388258387725024
Energy: 1.2731441326003814
Energy: 1.2388258387708824
Energy: 1.3853869845006275
Energy: 1.2118933704129151
Energy: 1.1931531774459456
Energy: 1.211893370414535
Energy: 1.166589332066633
Energy: 1.2386564862902394
Energy: 1.333906106474809
Energy: 1.2386564862902394

minimum gb energy = 1.1353290316152378 eV
minimum distance =  2.25032107230574 Angstroms
sigma value = 29


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

Energy: 1.173185940294438
Energy: 1.1646891874351715
Energy: 1.1589155097302821
Energy: 1.1646891874343563
Energy: 1.1153389483476448
Energy: 1.1868044192535023
Energy: 1.1884496296366254
Energy: 1.1868044192532516
Energy: 1.1356208816748719
Energy: 1.2730117879898166
Energy: 1.1159479984130736
Energy: 1.2730117879903808
Energy: 1.1851316562111156
Energy: 1.241287653757906
Energy: 1.1882119357337684
Energy: 1.2412876537554294
Energy: 1.1841577471808744
Energy: 1.2434090481191753
Energy: 1.2555009028921533
Energy: 1.2434090481194577
Energy: 1.0680310227491288
Energy: 1.272388908796626
Energy: 1.068054698918071
Energy: 1.2723889087963436
Energy: 1.136409720813031
Energy: 1.243356281210641
Energy: 1.1839864860919174
Energy: 1.2433562812108916
Energy: 1.188561440186252
Energy: 1.2415336148931697
Energy: 1.1852145524605537
Energy: 1.2415336148904108
Energy: 1.1154288382476536
Energy: 1.2726584559726575
Energy: 1.1324204847741235
Energy: 1.27265845597294

minimum gb energy = 1.0680310227491288 eV
minimum distance =  2.26777546346914 Angstroms
sigma value = 5


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

Energy: 1.1386804369363375
Energy: 1.143415292417444
Energy: 1.0906637334790439
Energy: 1.143415292417444
Energy: 1.3734828255309601
Energy: 1.1147333389517686
Energy: 1.0833284706630257
Energy: 1.1147333389525338
Energy: 1.0747411767596966
Energy: 1.1260437206078557
Energy: 1.2572410432560608
Energy: 1.1260437206070903
Energy: 1.0683184557674166
Energy: 1.1877708044474307
Energy: 1.1097541419324113
Energy: 1.1877708044481958
Energy: 1.10131394437703
Energy: 1.1949116051073723
Energy: 1.2527310800004436
Energy: 1.1949116051089024
Energy: 1.109370392070403
Energy: 1.146269087929238
Energy: 1.0878213227978266
Energy: 1.146269087929238
Energy: 1.0771316903741979
Energy: 1.1942851976791176
Energy: 1.0770456042473855
Energy: 1.1942851976791176
Energy: 1.077467001575568
Energy: 1.14628385306695
Energy: 1.0804374891654924
Energy: 1.14628385306695
Energy: 1.101762216250739
Energy: 1.1934872318755638
Energy: 1.076486423709318
Energy: 1.1934872318740335
Energy: 1.1080439165041522
Energy: 1.1953480324490497
Energy: 1.0608877646525003
Energy: 1.1953480324490497
Energy: 1.0989481440868694
Energy: 1.187869981851492
Energy: 1.078358485620544
Energy: 1.187869981851492
Energy: 1.0773664092647304
Energy: 1.1189532138086196
Energy: 1.159128030438928
Energy: 1.1189532138086196
Energy: 1.1106426399456646
Energy: 1.144028013965702
Energy: 1.1410017140649407
Energy: 1.144028013965702
Energy: 1.1065187922405628
Energy: 1.1432282897292418
Energy: 1.230099857986211
Energy: 1.1432282897315373
Energy: 1.2822739564713412
Energy: 1.1016860363954475
Energy: 1.0781316870239501
Energy: 1.101686036393917
Energy: 1.107233765775999
Energy: 1.1257855109418704
Energy: 1.0834042495954153
Energy: 1.1257855109426358
Energy: 1.2541906750736456
Energy: 1.1213023823016248
Energy: 1.0908388133243303
Energy: 1.1213023823023902
Energy: 1.1015724480730937
Energy: 1.1440243041284632
Energy: 1.154545487094701
Energy: 1.1440243041284632
Energy: 1.097565242971774
Energy: 1.1990316685588522
Energy: 1.0845612290833417
Energy: 1.1990316685588522
Energy: 1.0752788900337746
Energy: 1.2185897024660564
Energy: 1.116215238317865
Energy: 1.218589702465291
Energy: 1.0649879193406746
Energy: 1.1823534693903164
Energy: 1.112301538297103
Energy: 1.1823534693903164
Energy: 1.105119593431426
Energy: 1.1939307542487676
Energy: 1.1001702003215563
Energy: 1.1939307542487676
Energy: 1.0862010687396493
Energy: 1.1447000163218817
Energy: 1.0655303435083128
Energy: 1.144700016322647
Energy: 1.1585504039638979
Energy: 1.1880264520889054
Energy: 1.0753198698884914
Energy: 1.1880264520889054
Energy: 1.1552321418099833
Energy: 1.1389088319431315
Energy: 1.0834679442133914
Energy: 1.1389088319431315
Energy: 1.125555727469745
Energy: 1.1432001137506123
Energy: 1.1044209870493515
Energy: 1.1432001137483168
Energy: 1.1007706721469694
Energy: 1.0871027114473473
Energy: 1.1199308234830343
Energy: 1.0871027114473473
Energy: 1.09794193190784
Energy: 1.1869539926129833
Energy: 1.1074058819359582
Energy: 1.186953992612218
Energy: 1.0837417336810942
Energy: 1.1130622047192926
Energy: 1.4096147523085507
Energy: 1.1130622047185277
Energy: 1.225862993427665
Energy: 1.1436268366116207
Energy: 1.1015948693272946
Energy: 1.1436268366108553
Energy: 1.09879252733445
Energy: 1.1140709872176215
Energy: 1.2268547462770318
Energy: 1.114070987218387
Energy: 1.254767486773649
Energy: 1.1387138190766481
Energy: 1.0775268942227432
Energy: 1.1387138190766481
Energy: 1.108254393405845
Energy: 1.1888483422497855
Energy: 1.0740829725885437
Energy: 1.1888483422513159

minimum gb energy = 1.0608877646525003 eV
minimum distance =  2.26353548644242 Angstroms
sigma value = 1


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

Energy: 1.0929001705730155
Energy: 1.0884754172505449
Energy: 1.0265513068098138
Energy: 1.0884754172505449
Energy: 1.3021820607706402
Energy: 1.0470986592539218
Energy: 1.0532105586954392
Energy: 1.047098659252864
Energy: 1.0117882950373038
Energy: 1.0882906052095844
Energy: 1.4482297062699687
Energy: 1.0882906052095844
Energy: 1.0570610536782405
Energy: 1.1520906210704673
Energy: 1.0524290954931057
Energy: 1.1520906210694095
Energy: 1.0132045311928206
Energy: 1.0874474220309147
Energy: 1.2606105964726557
Energy: 1.087447422031973
Energy: 1.014823992893316
Energy: 1.1458374119026964
Energy: 1.0525944360393
Energy: 1.1458374119037542
Energy: 1.0133161239130806
Energy: 1.192761748925618
Energy: 1.0635730110554558
Energy: 1.192761748925618
Energy: 1.014236663392818
Energy: 1.0928296346271977
Energy: 1.0620537411300703
Energy: 1.092829634628256
Energy: 1.0828391765822205
Energy: 1.091500405014184
Energy: 1.0654210229206629
Energy: 1.091500405014184
Energy: 1.0827425578542524
Energy: 1.0914419187822593
Energy: 1.0625612868094363
Energy: 1.0914419187822593
Energy: 1.0142090491323106
Energy: 1.0928842792277398
Energy: 1.0634274400804666
Energy: 1.0928842792287976
Energy: 1.0135836634951845
Energy: 1.1928698493490093
Energy: 1.0645151679159808
Energy: 1.1928698493490093
Energy: 1.0146174218671846
Energy: 1.146022257862638
Energy: 1.0525328314418916
Energy: 1.146022257860522
Energy: 1.013578432257404
Energy: 1.087277885402518
Energy: 1.1080090312655368
Energy: 1.0872778854035758
Energy: 1.055912699802318
Energy: 1.1450590685717532
Energy: 1.05239905747206
Energy: 1.1450590685728115
Energy: 1.0117561617178812
Energy: 1.0889110437809995
Energy: 1.0691188557369518
Energy: 1.0889110437809995
Energy: 1.3023585087150011
Energy: 1.046965217419022
Energy: 1.0532637266046796
Energy: 1.0469652174169062
Energy: 1.0929001705730155
Energy: 1.0884754172505449
Energy: 1.2283864182696929
Energy: 1.0884754172505449
Energy: 1.3021820607706402
Energy: 1.0470986592549798
Energy: 1.0532105586954392
Energy: 1.047098659252864
Energy: 1.0117882950373038
Energy: 1.0882906052095844
Energy: 1.4482297062699687
Energy: 1.0882906052095844
Energy: 1.0570610536792986
Energy: 1.1520906210704673
Energy: 1.0524290954931057
Energy: 1.1520906210694095
Energy: 1.0132045311928206
Energy: 1.0874474220309147
Energy: 1.2606105964726557
Energy: 1.0874474220309147
Energy: 1.014823992893316
Energy: 1.1458374119026964
Energy: 1.0525944360393
Energy: 1.1458374119048125
Energy: 1.0133161239141386
Energy: 1.192761748925618
Energy: 1.0635730110554558
Energy: 1.192761748925618

minimum gb energy = 1.0117561617178812 eV
minimum distance =  2.28171288030467 Angstroms
sigma value = 17


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

Energy: 1.0693892415416832
Energy: 1.0649772579069785
Energy: 1.301807440855629
Energy: 1.0649772579069785
Energy: 1.2000479549050933
Energy: 1.0524096063084851
Energy: 1.0269263672555218
Energy: 1.052409606309139
Energy: 1.0258402568807234
Energy: 1.0478482299289966
Energy: 1.2907016701664749
Energy: 1.0478482299289966
Energy: 1.0394259471575562
Energy: 1.0182588302778073
Energy: 1.0222519039692037
Energy: 1.0182588302791151
Energy: 1.0088108276457448
Energy: 1.1298383207327238
Energy: 1.2890664199367272
Energy: 1.1298383207327238
Energy: 0.9951324540905694
Energy: 1.2649424504565638
Energy: 1.0429887775453894
Energy: 1.2649424504559097
Energy: 1.0258940681534692
Energy: 1.1105544889384908
Energy: 1.078235759503314
Energy: 1.110554488937837
Energy: 1.0069246580494624
Energy: 1.2682188384934714
Energy: 1.0068000506600234
Energy: 1.2682188384941255
Energy: 1.06178088398073
Energy: 1.273328182554683
Energy: 1.0345463578404746
Energy: 1.2733281825559908
Energy: 1.0685615117476126
Energy: 1.1007864474182434
Energy: 1.0283305463350803
Energy: 1.1007864474188973
Energy: 1.0262945463930535
Energy: 1.2466664114872184
Energy: 1.007832916541663
Energy: 1.2466664114891801
Energy: 1.0289653921305582
Energy: 1.106114007894576
Energy: 1.0112061968462438
Energy: 1.1061140078952298
Energy: 0.9941777973701603
Energy: 1.2637263016252558
Energy: 1.0248734461157838
Energy: 1.2637263016252558
Energy: 1.0111468476720042
Energy: 1.1286336240029082
Energy: 1.06728275507368
Energy: 1.1286336240022543
Energy: 1.0105279069299065
Energy: 1.2554715849669473
Energy: 1.0754043894621579
Energy: 1.2554715849662934
Energy: 1.0256248863871056
Energy: 1.0483319041187107
Energy: 1.2864756921400033
Energy: 1.0483319041200185
Energy: 1.032252814112526
Energy: 1.2587711026174147
Energy: 1.0245166927494016
Energy: 1.2587711026161068
Energy: 1.0219479194302625
Energy: 1.065837826249049
Energy: 1.0175703953645718
Energy: 1.065837826249049
Energy: 1.189078275279655
Energy: 1.106739792891107
Energy: 1.0291500451891427
Energy: 1.106739792889799
Energy: 1.0426024517148231
Energy: 1.0476980150876412
Energy: 1.1793216719985578
Energy: 1.0476980150876412
Energy: 1.4268836690753324
Energy: 1.042490439806314
Energy: 1.0247862661353946
Energy: 1.042490439806314
Energy: 1.0247494283065732
Energy: 1.0661647473203488
Energy: 1.3016363389429593
Energy: 1.066164747319041
Energy: 1.1793993716939044
Energy: 1.0372057847252178
Energy: 1.043677262461703
Energy: 1.037205784724564
Energy: 1.0278886538448515
Energy: 1.1104445137149697
Energy: 1.2011493661306052
Energy: 1.1104445137149697
Energy: 1.0258515647544362
Energy: 1.0667573281390754
Energy: 1.0214496938330302
Energy: 1.0667573281390754
Energy: 1.0249884680558767
Energy: 1.1313959361432726
Energy: 1.044961962377973
Energy: 1.1313959361432726
Energy: 1.1613749728847198
Energy: 1.0920417979834736
Energy: 1.0277864699892745
Energy: 1.0920417979847814
Energy: 1.0783392917631416
Energy: 1.2551119390661
Energy: 1.0088010628193493
Energy: 1.255111939067408
Energy: 1.0807161327810824
Energy: 1.1293230065730058
Energy: 1.0090025216624015
Energy: 1.1293230065736597
Energy: 1.0256352855558497
Energy: 1.264751299234419
Energy: 1.0453004745825292
Energy: 1.2647512992350731
Energy: 1.010229026724006
Energy: 1.129917622164886
Energy: 1.0301822212409002
Energy: 1.1299176221661937
Energy: 1.0086581998515725
Energy: 1.2455005132439478
Energy: 1.024033738812935
Energy: 1.245500513243294
Energy: 1.0268414218841584
Energy: 1.1015210772178945
Energy: 1.1885220104135308
Energy: 1.1015210772152788
Energy: 1.0471558284955464
Energy: 1.2720779948934933
Energy: 1.0468513122299827
Energy: 1.2720779948934933
Energy: 1.0077203672911732
Energy: 1.0664805978614817
Energy: 1.037455372014838
Energy: 1.0664805978614817
Energy: 1.0794875717143855
Energy: 1.1115012732797256
Energy: 1.0246474747311598
Energy: 1.111501273278418
Energy: 1.043749590039144
Energy: 1.266249458180104
Energy: 0.9947782864590581
Energy: 1.2662494581820658
Energy: 1.2912506063537992
Energy: 1.1309201844553005
Energy: 1.025339070408393
Energy: 1.1309201844546464

minimum gb energy = 0.9941777973701603 eV
minimum distance =  2.27442663271095 Angstroms
sigma value = 89


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

Energy: 0.9382024246507695
Energy: 0.9354428297370322
Energy: 1.3282471708962447
Energy: 0.9354428297370322
Energy: 0.9397260990568097
Energy: 0.9750503405071752
Energy: 0.9414472149182201
Energy: 0.9750503405071752
Energy: 0.9412374184243432
Energy: 1.105629129175243
Energy: 1.3274944864834806
Energy: 1.105629129175243
Energy: 0.9125635360103833
Energy: 0.9749664174472417
Energy: 0.9414559926714692
Energy: 0.9749664174472417
Energy: 0.9411218177507039
Energy: 1.0204030246458506
Energy: 1.539875872487962
Energy: 1.0204030246458506
Energy: 0.9363262119971448
Energy: 0.9368332979229749
Energy: 0.9416026461634032
Energy: 0.9368332979229749
Energy: 0.9407320060256871
Energy: 1.1050571565422478
Energy: 0.9432702898194333
Energy: 1.1050571565439586
Energy: 0.8948490370260752
Energy: 1.0196988607777966
Energy: 0.941383189746644
Energy: 1.0196988607777966
Energy: 0.9406425982608316
Energy: 1.0259424147237088
Energy: 0.9135485120284831
Energy: 1.0259424147237088
Energy: 0.9732830323235682
Energy: 0.9328099040631085
Energy: 0.9356693381080611
Energy: 0.9328099040613974
Energy: 0.9311149683469622
Energy: 0.976039625094106
Energy: 0.9404015552895695
Energy: 0.976039625094106
Energy: 0.9307438385341087
Energy: 1.1050149562096472
Energy: 0.9416903274639724
Energy: 1.1050149562096472
Energy: 0.9365613182143437
Energy: 0.9384180109650611
Energy: 0.8908801891719992
Energy: 0.9384180109650611
Energy: 0.938544278845602
Energy: 1.0235738252711695
Energy: 0.9382059649947869
Energy: 1.0235738252711695
Energy: 0.9124481749654412
Energy: 0.9384580190544658
Energy: 0.9370069445129128
Energy: 0.9384580190527548

minimum gb energy = 0.8908801891719992 eV
minimum distance =  2.29443070468 Angstroms
sigma value = 13


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

Energy: 0.9079719020365146
Energy: 0.8672295109447085
Energy: 0.8340873954716015
Energy: 0.8672295109439913
Energy: 1.3320304227167339
Energy: 0.894172367036743
Energy: 0.8512413782817018
Energy: 0.894172367036743
Energy: 0.8707441453442912
Energy: 0.8677863343684042
Energy: 1.3289317042609112
Energy: 0.8677863343691213
Energy: 0.8734246419370104
Energy: 0.8942907531360756
Energy: 0.848061333536722
Energy: 0.8942907531346415
Energy: 0.8779140350735207
Energy: 0.9324337637714651
Energy: 0.8764857500718201
Energy: 0.9324337637743337
Energy: 0.8549663764818525
Energy: 0.8947704030662501
Energy: 0.8804420988683869
Energy: 0.8947704030662501
Energy: 0.877546243179679
Energy: 0.9405869390429661
Energy: 1.1801574393895415
Energy: 0.9405869390465518
Energy: 0.8350800270676504
Energy: 0.8944291798635136
Energy: 0.880790806990757
Energy: 0.8944291798656651
Energy: 0.878100237541208
Energy: 0.938747003807358
Energy: 1.0293323804086192
Energy: 0.9387470038044894
Energy: 1.0381252510495735
Energy: 0.9580582303188485
Energy: 0.8482467762287368
Energy: 0.95805823031598
Energy: 0.8776679814291068
Energy: 0.9586021019768711
Energy: 0.8516190649409762
Energy: 0.9586021019754368
Energy: 1.1755589176572911
Energy: 0.9580216102267988
Energy: 0.8518469033576112
Energy: 0.958021610222496
Energy: 0.9147754543612664
Energy: 0.8858997606340916
Energy: 0.8519769239676905
Energy: 0.8858997606326572
Energy: 1.2034474968150612
Energy: 0.9582155503781309
Energy: 0.8469725874979683
Energy: 0.9582155503788481
Energy: 0.8782153258946334
Energy: 0.86768921286636
Energy: 0.8386597950738544
Energy: 0.8676892128656428
Energy: 0.8715185192080033
Energy: 0.9580471772718883
Energy: 0.8541897816299503
Energy: 0.9580471772711713
Energy: 0.866709322693022
Energy: 0.8664888341237702
Energy: 0.8521872170837438
Energy: 0.8664888341194672
Energy: 0.8626463557398827
Energy: 0.9365194995209595
Energy: 0.8875011928606741
Energy: 0.9365194995223938
Energy: 0.8668447106296622
Energy: 0.9369576657872459
Energy: 0.8871001316299036
Energy: 0.9369576657858117
Energy: 0.8668737099622235
Energy: 0.9367889101703132
Energy: 0.8869817299596942
Energy: 0.9367889101681618
Energy: 0.8627582853934729
Energy: 0.9368660301757646
Energy: 0.8876283878302081
Energy: 0.9368660301757646
Energy: 0.8665856124552601
Energy: 0.866636472992095
Energy: 0.852360324693172
Energy: 0.8666364729977669
Energy: 0.8722127037522814
Energy: 0.9587344762101471
Energy: 0.8535335115105309
Energy: 0.9587344762137329
Energy: 0.8782397041242536
Energy: 0.8676206634950534
Energy: 0.8449758068301113
Energy: 0.8676206634929021
Energy: 1.203490890212397
Energy: 0.958290470510178
Energy: 0.8470046930846301
Energy: 0.9582904705087438
Energy: 0.9154216446920789
Energy: 0.8862276044936785
Energy: 0.8540259134073137
Energy: 0.8862276044958299
Energy: 1.175853355897291
Energy: 0.9578486467507924
Energy: 0.8521791714084238
Energy: 0.9578486467500753
Energy: 0.8777230835861672
Energy: 0.9590936690083159
Energy: 0.8532735511413715
Energy: 0.9590936690097502
Energy: 1.038180325978723
Energy: 0.9582374542270063
Energy: 0.8481834290560026
Energy: 0.9582374542227036
Energy: 0.8779599129065374
Energy: 0.9389541403379101
Energy: 1.0311682022526187
Energy: 0.9389541403400616
Energy: 0.8345826536825842
Energy: 0.8949660376626474
Energy: 0.8807214415637387
Energy: 0.8949660376647988
Energy: 0.8775713605103163
Energy: 0.9403438630406247
Energy: 1.1936645142033755
Energy: 0.9403438630449276
Energy: 0.8535181982039425
Energy: 0.8948694969121358
Energy: 0.8806588260821709
Energy: 0.8948694969078329
Energy: 0.8777294961435856
Energy: 0.9324019011583737
Energy: 1.1857824084733264
Energy: 0.9324019011612423
Energy: 0.8725918596745942
Energy: 0.8942618700216105
Energy: 0.8480055673431445
Energy: 0.8942618700187418

minimum gb energy = 0.8340873954716015 eV
minimum distance =  2.30674415267886 Angstroms
sigma value = 37


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

Energy: 0.9928575386318201
Energy: 0.8503067796425653
Energy: 0.7357119478029874
Energy: 0.8503067796425653
Energy: 1.4519520339244274
Energy: 0.8239943357245922
Energy: 0.7642329465987585
Energy: 0.8239943357245922
Energy: 0.8131040328792397
Energy: 0.927628544501772
Energy: 0.7797192791619931
Energy: 0.927628544501772
Energy: 0.9083949680069109
Energy: 0.8251246105733455
Energy: 0.7799082162482835
Energy: 0.8251246105733455
Energy: 0.7785044363451594
Energy: 0.8237612684672501
Energy: 0.7940091832841487
Energy: 0.8237612684672501
Energy: 0.7461900348210398
Energy: 0.8243465770773108
Energy: 0.922596217968854
Energy: 0.8243465770773108
Energy: 0.7939240549153459
Energy: 0.8728707011928252
Energy: 1.2040708967155032
Energy: 0.8728707012076029
Energy: 0.7595187567388868
Energy: 0.826095858495352
Energy: 0.8295644176478838
Energy: 0.826095858495352
Energy: 0.7640612287037222
Energy: 0.8238923126637184
Energy: 1.0544870791495757
Energy: 0.8238923126637184
Energy: 1.1081108087213
Energy: 0.9180035895152809
Energy: 0.9228719547403278
Energy: 0.9180035895152809
Energy: 0.7953451974652224
Energy: 0.8938795494169522
Energy: 0.9190820835351838
Energy: 0.8938795494157185
Energy: 1.130019144681349
Energy: 0.824387512314684
Energy: 0.7797208906750605
Energy: 0.824387512314684
Energy: 0.9231639961133739
Energy: 0.8240821565850194
Energy: 0.8795121570923123
Energy: 0.8240821565850194
Energy: 1.2148225637431667
Energy: 0.8668165732020346
Energy: 0.7581406476997643
Energy: 0.8668165732032684
Energy: 0.9920754731914395
Energy: 0.8678204724335383
Energy: 0.7593156898562986
Energy: 0.8678204724335383
Energy: 0.9907711814345255
Energy: 0.8243936320261809
Energy: 0.7659654503357621
Energy: 0.8243936320249472
Energy: 0.9233125082916244
Energy: 0.9202969544475581
Energy: 0.7295703487435347
Energy: 0.9202969544487919
Energy: 0.9197975229346482
Energy: 0.8945306541373703
Energy: 0.7750139517394684
Energy: 0.8945306541373703
Energy: 0.7760925145591673
Energy: 0.8263553726113175
Energy: 0.7721547995772214
Energy: 0.8263553726100837
Energy: 0.771969265713032
Energy: 0.824406078569815
Energy: 0.9246151300856867
Energy: 0.8244060785710489

minimum gb energy = 0.7295703487435347 eV
minimum distance =  2.31575483566486 Angstroms
sigma value = 25


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

Energy: 0.7405095651859142
Energy: 0.6860380032554472
Energy: 0.9278362711049779
Energy: 0.6860380032544837
Energy: 1.1217929285670363
Energy: 0.7108686353989694
Energy: 0.6908868238822121
Energy: 0.7108686354008963
Energy: 0.6863589500094958
Energy: 0.6851665773295219
Energy: 0.6300685597572621
Energy: 0.6851665773285583
Energy: 0.8858207143781653
Energy: 0.7109453486177685
Energy: 0.690882337825376
Energy: 0.7109453486177685
Energy: 0.6898506791406485
Energy: 0.7108995536469878
Energy: 0.6449119981658772
Energy: 0.7108995536469878
Energy: 0.6448646432129677
Energy: 0.7105482697132981
Energy: 0.6909501632144297
Energy: 0.7105482697132981
Energy: 0.6929551682120294
Energy: 0.6848876907607134
Energy: 0.8863288158010015
Energy: 0.6848876907597499
Energy: 0.6315583034125742
Energy: 0.7383664217829574
Energy: 0.6874309209584989
Energy: 0.7383664217829574
Energy: 0.6900068827589133
Energy: 0.7115057807392426
Energy: 1.0964682438523576
Energy: 0.7115057807392426
Energy: 0.6451470289818153
Energy: 0.6849976738941579
Energy: 0.7417610187288964
Energy: 0.6849976738931943
Energy: 0.6928415774314286
Energy: 0.6847446830988363
Energy: 1.1302377392632306
Energy: 0.6847446830978728
Energy: 0.9264180045143429
Energy: 0.7383352636264304
Energy: 0.6875126792222593
Energy: 0.7383352636235402
Energy: 0.6900860318819765
Energy: 0.7114432056993248
Energy: 0.8856392919585568
Energy: 0.7114432056983615
Energy: 0.9538586933442808
Energy: 0.995840577233859
Energy: 0.6907501211228864
Energy: 0.995840577233859
Energy: 0.6931826805824327
Energy: 0.6848965096331638
Energy: 0.6452059303805082
Energy: 0.6848965096331638
Energy: 0.9376126331351587
Energy: 0.7381925298552692
Energy: 0.6914652879324953
Energy: 0.738192529859123
Energy: 0.6901167773673609
Energy: 0.7380851846309233
Energy: 0.6316277360614205
Energy: 0.7380851846318868
Energy: 0.9308184048809391
Energy: 0.711127847394709
Energy: 0.6912891890652487
Energy: 0.7111278473956725
Energy: 0.744588685744637
Energy: 0.684808182483703
Energy: 0.6560740749354882
Energy: 0.6848081824846664
Energy: 1.1298999570016834
Energy: 0.8158105586294196
Energy: 0.6915812810617429
Energy: 0.8158105586284563
Energy: 0.6903450673727736
Energy: 0.7385177432998778
Energy: 0.6232852941361007
Energy: 0.7385177432989145
Energy: 0.6829933738685747
Energy: 0.7111034413604174
Energy: 0.6913363024821609
Energy: 0.7111034413604174
Energy: 0.6905255384664534
Energy: 0.9948160416492735
Energy: 0.9525947813882912
Energy: 0.9948160416502368
Energy: 0.6525425796024749
Energy: 0.8158993726731503
Energy: 0.6917273425068561
Energy: 0.8158993726721869
Energy: 0.694185150176624
Energy: 0.7383072060609893
Energy: 0.9372566345536151
Energy: 0.7383072060609893
Energy: 0.6451172351421377
Energy: 0.7385054821324735
Energy: 0.6905148836911658
Energy: 0.7385054821334369

minimum gb energy = 0.6232852941361007 eV
minimum distance =  2.32383022574365 Angstroms
sigma value = 41


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

Energy: 1.0042256334951642
Energy: 0.6291747793910305
Energy: 0.5692502865158202
Energy: 0.6291747793910305
Energy: 1.3031815930433375
Energy: 0.6109642419698847
Energy: 0.597012150837319
Energy: 0.6109642419698847
Energy: 0.6299101181978036
Energy: 0.5946563213884053
Energy: 1.150974273451132
Energy: 0.5946563213884053
Energy: 0.981102386486677
Energy: 0.6110802093507821
Energy: 0.5970907419615211
Energy: 0.6110802093507821
Energy: 0.5944835240407493
Energy: 0.6485806307006419
Energy: 0.5806035157132848
Energy: 0.6485806307006419
Energy: 0.7831877520368552
Energy: 0.6118652764726091
Energy: 0.5970121779305146
Energy: 0.6118652764718193
Energy: 0.5964723061298063
Energy: 0.6113571211431015
Energy: 0.8572697830345719
Energy: 0.6113571211431015
Energy: 0.5816854747424567
Energy: 0.6290890319107197
Energy: 0.5950772698210031
Energy: 0.6290890319115097
Energy: 0.5983674367986513
Energy: 0.6289004228618228
Energy: 0.9545393763676239
Energy: 0.6289004228610329
Energy: 0.560209981233029
Energy: 0.5944835030086749
Energy: 0.6304936286217413
Energy: 0.5944835030086749
Energy: 0.5965113092937344
Energy: 0.611631416633596
Energy: 1.1461524953612314
Energy: 0.6116314166328061
Energy: 0.5814120336470314
Energy: 0.6294432326360234
Energy: 1.002832574889901
Energy: 0.6294432326352335
Energy: 0.5982385466923574
Energy: 0.6316965006206979
Energy: 1.145320422139726
Energy: 0.6316965006191181
Energy: 0.8233870429810123
Energy: 0.6938645950320431
Energy: 0.6304500974816111
Energy: 0.693864595033623
Energy: 0.5966337422774725
Energy: 0.6113863165082861
Energy: 0.9772924479821724
Energy: 0.6113863165090402
Energy: 0.8317491922589723
Energy: 0.6280962100720293
Energy: 0.5949682699560493
Energy: 0.628096210061761
Energy: 0.5985277019617268
Energy: 0.6303387371040742
Energy: 0.7812692288212393
Energy: 0.6303387371056539
Energy: 0.8242712015395655
Energy: 0.6944378983534342
Energy: 0.5969713829534692
Energy: 0.6944378983518544
Energy: 0.5964017977106335
Energy: 0.6290008616047613
Energy: 0.5792298936886985
Energy: 0.6290008616047613
Energy: 0.8497661642826927
Energy: 0.6282929813836566
Energy: 0.6004760247555513
Energy: 0.6282929813836566
Energy: 0.632265160815748
Energy: 0.6314828838034554
Energy: 0.5700371275716454
Energy: 0.6314828838034554
Energy: 1.1461853590421525
Energy: 0.6476702571705263
Energy: 0.5971592700116938
Energy: 0.6476702571736858
Energy: 1.000288034993055
Energy: 0.6288372766752134
Energy: 0.5793196635307669
Energy: 0.6288372766736336
Energy: 1.0083632520033787
Energy: 0.6303704269936651
Energy: 0.6006615273738056
Energy: 0.6303704269928752
Energy: 0.6318519702308133
Energy: 0.6926898869055663
Energy: 0.5671891339811412
Energy: 0.6926898869063562
Energy: 0.9775097059887811
Energy: 0.6474808037053403
Energy: 0.5972860983050355
Energy: 0.6474808037077099
Energy: 0.5965818248249177
Energy: 0.6282267184640279
Energy: 0.8302180685060302
Energy: 0.628226718463238
Energy: 0.6098166179597927
Energy: 0.6302512351021347
Energy: 0.6007643066789471
Energy: 0.6302512351005549
Energy: 0.5984226872862769
Energy: 0.6931040970092801
Energy: 0.8221528601171937
Energy: 0.6931040970108598
Energy: 0.5793474363137205
Energy: 0.6704780446638375
Energy: 0.5990487030343089
Energy: 0.6704780446638375
Energy: 0.6037030519314511
Energy: 0.6280721737824273
Energy: 0.8471072379857731
Energy: 0.628072173784007
Energy: 0.5808490359139223
Energy: 0.6298286487855558
Energy: 0.6347515776948767
Energy: 0.6298286487871354

minimum gb energy = 0.560209981233029 eV
minimum distance =  2.31161416712691 Angstroms
sigma value = 15


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

Energy: 0.9802951990999876
Energy: 0.5692977391948164
Energy: 0.9638240507346708
Energy: 0.5692977391145811
Energy: 1.309982984299044
Energy: 0.5562545423982116
Energy: 0.556120838368313
Energy: 0.5562545423995499
Energy: 0.6748891751786575
Energy: 0.5639089287377925
Energy: 0.5280700412770581
Energy: 0.5639089287351159
Energy: 1.0834263258944679
Energy: 0.5655828597410334
Energy: 0.5561849043187518
Energy: 0.5655828597283198
Energy: 0.6472581588616011
Energy: 0.8245944141416506
Energy: 0.5346205946790789
Energy: 0.8245944141429888
Energy: 0.9404252894811201
Energy: 0.5549037265063176
Energy: 0.5565149749590098
Energy: 0.5549037265043101
Energy: 0.564728939455975
Energy: 0.5682014162016744
Energy: 0.6237707561351925
Energy: 0.5682014162016744
Energy: 0.7886352329250617
Energy: 0.5647573679778372
Energy: 0.5640046361680782
Energy: 0.5647573679798445
Energy: 0.5567992815689579
Energy: 0.569393263930966
Energy: 0.995241475619829
Energy: 0.5693932639289586
Energy: 0.6174767401822242
Energy: 0.555769390206068
Energy: 0.6461235594776923
Energy: 0.5557693888838007
Energy: 0.5556638847281992
Energy: 0.5545114447477152
Energy: 1.0847879170451873
Energy: 0.5545114447457077
Energy: 0.5243249512831398
Energy: 0.5657884886200968
Energy: 0.6733144116551085
Energy: 0.5657884886221042
Energy: 0.5568222883260507
Energy: 0.5748388152301626
Energy: 1.231944431116377
Energy: 0.574838815228155
Energy: 0.5291479029511876
Energy: 0.5556144733423182
Energy: 0.9101975859176795
Energy: 0.5556144733456638
Energy: 0.555955598155322
Energy: 0.5561820710454275
Energy: 1.1543116418964359
Energy: 0.5561820710420818
Energy: 0.7472451979768132
Energy: 0.5634189764603592
Energy: 0.672939977830184
Energy: 0.563418976459021
Energy: 0.5570083860103605
Energy: 0.5770195794079245
Energy: 1.0813862260794636
Energy: 0.5770195794146159
Energy: 0.7518529261453103
Energy: 0.8231460386981553
Energy: 0.6461516532706462
Energy: 0.8231460386981553
Energy: 0.5569100893743001
Energy: 0.5545952199062157
Energy: 0.9427756363086086
Energy: 0.554595219907554
Energy: 0.8278280299675099
Energy: 0.5547470232336882
Energy: 0.5641237809004191
Energy: 0.5547470232343572
Energy: 0.5653819159984461
Energy: 0.581925116827453
Energy: 0.7858030581536526
Energy: 0.5819251168294605
Energy: 0.8476306879881996
Energy: 0.5683675543547713
Energy: 0.5584214243860639
Energy: 0.5683675543554404
Energy: 0.6466543431095836
Energy: 0.5558810952231955
Energy: 0.6148904826994702
Energy: 0.5558810952278793
Energy: 1.1246885998909089
Energy: 0.5541524327216569
Energy: 0.5561605599904351
Energy: 0.5541524327189805
Energy: 0.6737542116458326
Energy: 0.5824505076450341
Energy: 0.6069853220828253
Energy: 0.5824505076918736
Energy: 1.1029971454619079
Energy: 0.5682733275296106
Energy: 0.5586488317065842
Energy: 0.5682733275322871
Energy: 0.9753962626211461
Energy: 0.5640382787966257
Energy: 0.5276483618839274
Energy: 0.5640382787946183
Energy: 1.2262332970268839
Energy: 0.554306025625623
Energy: 0.5559917831918304
Energy: 0.5543060256282996
Energy: 0.673955719602891
Energy: 0.8462897546783024
Energy: 0.5160022446273105
Energy: 0.8462897546769641
Energy: 0.9613228781744867
Energy: 0.57656047083711
Energy: 0.5586039691090102
Energy: 0.5765604708330953
Energy: 0.6464246202246855
Energy: 0.8217545901208172
Energy: 0.7501112907918556
Energy: 0.8217545901582886
Energy: 0.9394953260019658
Energy: 0.554751470998384
Energy: 0.5577253476657553
Energy: 0.5547514709796484
Energy: 0.5656926878183425
Energy: 0.6377891745443959
Energy: 0.8260149031511735
Energy: 0.637789174540381
Energy: 0.6361448897158382
Energy: 0.5818475316083445
Energy: 0.5673140217695182
Energy: 0.5818475316056678
Energy: 0.5462065200433456
Energy: 0.6094891889169995
Energy: 0.8440600933625466
Energy: 0.609489188925029
Energy: 0.6123955928524893
Energy: 0.5548794893690097
Energy: 0.6475115141672712
Energy: 0.5548794893670024
Energy: 0.557062231949335
Energy: 0.6374802336484767
Energy: 1.1226662436598944
Energy: 0.637480233649146

minimum gb energy = 0.5160022446273105 eV
minimum distance =  2.31517832137726 Angstroms
sigma value = 85


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

Energy: 0.8570296707704087
Energy: 0.5481344763635563
Energy: 0.6600487523317845
Energy: 0.5481344763641367
Energy: 1.2772212259404672
Energy: 0.5472871549157089
Energy: 0.5060872711310161
Energy: 0.5472871549162892
Energy: 0.8245393453383427
Energy: 0.546158625577958
Energy: 0.6488755060239056
Energy: 0.546158625577958
Energy: 1.013819779339529
Energy: 0.5471486595653164
Energy: 0.5060251223504916
Energy: 0.5471486595658968
Energy: 0.5458513335384331
Energy: 0.504392322678674
Energy: 0.43330939959815495
Energy: 0.504392322678674
Energy: 0.8833792228919439
Energy: 0.5460490757975183
Energy: 0.5058100023114056
Energy: 0.5460490757975183
Energy: 0.5047421911153428
Energy: 0.564719367145086
Energy: 0.46608013444304375
Energy: 0.5647193671462466
Energy: 0.7519226868206393
Energy: 0.5462649010944942
Energy: 0.5057713259572088
Energy: 0.5462649010939138
Energy: 0.5057895418043811
Energy: 0.5253090756466943
Energy: 0.6295554665204663
Energy: 0.5253090756466943
Energy: 0.593344945842463
Energy: 0.5649409723211369
Energy: 0.5049008095144465
Energy: 0.5649409723211369
Energy: 0.5065383313737226
Energy: 0.5460125924561207
Energy: 0.95669466211061
Energy: 0.5460125927716675
Energy: 0.43244941478524357
Energy: 0.5469467941844437
Energy: 0.5462379050494418
Energy: 0.5469467941850241
Energy: 0.5055847786911373
Energy: 0.5253689108338276
Energy: 1.016912352428896
Energy: 0.5253689108338276
Energy: 0.4258363492620222
Energy: 0.5464045128420484
Energy: 0.8221564053281317
Energy: 0.5464045128426287
Energy: 0.5065872041704863
Energy: 0.5473416666645738
Energy: 1.1533144703077343
Energy: 0.5473416666634132
Energy: 0.43222036469504316
Energy: 0.545521752165859
Energy: 0.8555585983731036
Energy: 0.5455217521670196
Energy: 0.5056680632004928
Energy: 0.5254360434050795
Energy: 1.1528506582901576
Energy: 0.5254360434050795
Energy: 0.6315973884448275
Energy: 0.546406434107075
Energy: 0.8224852017464472
Energy: 0.5464064341076554
Energy: 0.506580936559219
Energy: 0.5465405191948867
Energy: 1.021578327162956
Energy: 0.5465405191948867
Energy: 0.6375683966843378
Energy: 0.5455293333964963
Energy: 0.5462697893932081
Energy: 0.5455293333947553
Energy: 0.5056403713563822
Energy: 0.5256325582033032
Energy: 0.883145143060925
Energy: 0.5256325582033032
Energy: 0.6254883340416381
Energy: 0.546144575057044
Energy: 0.5050027374538406
Energy: 0.5461445750564636
Energy: 0.5065087665900879
Energy: 0.5464767335741897
Energy: 0.7519640361641361
Energy: 0.5464767335724485
Energy: 0.6584993385896155
Energy: 0.5647279049328642
Energy: 0.5060884949489769
Energy: 0.5647279049328642
Energy: 0.5056471834086742
Energy: 0.5458494002999079
Energy: 0.594080081854115
Energy: 0.5458494002999079
Energy: 0.9315013226891596
Energy: 0.5462783792016201
Energy: 0.5080534212061494
Energy: 0.5462783792022005
Energy: 0.5473934589682549
Energy: 0.5466793865759574
Energy: 0.4322525386455472
Energy: 0.5466793865759574
Energy: 0.9554309984056986
Energy: 0.5644873141570227
Energy: 0.5060368192001211
Energy: 0.5644873141564424
Energy: 0.8210328506633582
Energy: 0.5454708093749757
Energy: 0.42634621460288397
Energy: 0.5454708093743954
Energy: 1.1516734163349784
Energy: 0.5471264058110475
Energy: 0.507836008684626
Energy: 0.5471264058110475
Energy: 0.8547241098542564
Energy: 0.5459988483695656
Energy: 0.43205688264434977
Energy: 0.545998848370146
Energy: 1.0439300333121426
Energy: 0.564552735184505
Energy: 0.5060715298019643
Energy: 0.5645527351833444
Energy: 0.820999288194972
Energy: 0.5455433427373455
Energy: 0.4229972803883198
Energy: 0.5455433427379259
Energy: 1.0198586754815362
Energy: 0.5472945375696241
Energy: 0.5078435996194736
Energy: 0.5472945375684635
Energy: 0.5474326592245271
Energy: 0.545393177965939
Energy: 0.6356090117026423
Energy: 0.545393177965939
Energy: 0.783830350734402
Energy: 0.5648815492315488
Energy: 0.5061253990114575
Energy: 0.5648815492321027
Energy: 0.5059041052097526
Energy: 0.5454688539239323
Energy: 0.6257065056759028
Energy: 0.545468853923352
Energy: 0.7519936643101763
Energy: 0.5465360658773997
Energy: 0.5079280062293362
Energy: 0.5465360658768192
Energy: 0.5068864645192361
Energy: 0.7865741957566355
Energy: 0.6584254303975562
Energy: 0.7865741957572158
Energy: 0.461595588090643
Energy: 0.5831644824901631
Energy: 0.507072225796197
Energy: 0.58316448248494
Energy: 0.5094536475925057
Energy: 0.5454155317194592
Energy: 0.9299125527328035
Energy: 0.5454155317177183
Energy: 0.43232736854049536
Energy: 0.546591329441572
Energy: 0.5492803166441951
Energy: 0.5465913294409916
Energy: 0.5069047667609834
Energy: 0.7868238458625355
Energy: 0.9625834840285155
Energy: 0.7868238458631159

minimum gb energy = 0.4229972803883198 eV
minimum distance =  2.25966702056723 Angstroms
sigma value = 113


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

Energy: 0.018682401312462654
Energy: 0.019512379647702482
Energy: 0.7094033930600819
Energy: 0.019512379647702482
Energy: 0.7090851456075824
Energy: -0.5051994759951098
Energy: -0.5031590128811705
Energy: -0.5051994759942672
Energy: 0.018682401311570382
Energy: 0.019512379647702482
Energy: 0.709403393085809
Energy: 0.019512379647702482
Energy: 0.7090851456075824
Energy: -0.5051994759964483
Energy: -0.5031590128825089
Energy: -0.5051994759942672
Energy: 0.018682401311124246
Energy: 0.019512379647702482
Energy: 0.7094033930579008
Energy: 0.019512379647256346
Energy: 0.7090851456075824
Energy: -0.5051994759960021
Energy: -0.5031590128816166
Energy: -0.5051994759951098

minimum gb energy = -0.5051994759964483 eV
minimum distance =  2.4562162686115 Angstroms
sigma value = 1