Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6131481304764748
cohesive_energy=3.4950398727056187
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7089136413570798e-19, 2.3514505586564397e-19, 2.8382719288973397e-19, 3.2335449262714797e-19, 3.56495516301438e-19, 3.8515364975379595e-19, 4.10072302942398e-19, 4.3186350734143193e-19, 4.51022335530804e-19, 4.6790767507653e-19, 4.827838851232199e-19, 4.95870463869732e-19, 5.07375694278486e-19, 5.1752868760814395e-19, 5.26353476508216e-19, 5.339542024599119e-19, 5.40420587354736e-19, 5.45831137847754e-19, 5.50320436776222e-19, 5.53890086316774e-19, 5.565897539450639e-19, 5.5846590278347795e-19, 5.59564995954402e-19, 5.59923883520418e-19, 5.59581017720742e-19, 5.58393804834948e-19, 5.56194016316466e-19, 5.527974018523859e-19, 5.47981258890582e-19, 5.414924435228819e-19, 5.33050574838336e-19, 5.222166564392279e-19, 5.08510035335358e-19, 4.913715518814599e-19, 4.7027889649485e-19, 4.44128169474702e-19, 4.1178022323424195e-19, 3.7178348574306596e-19, 3.22274625575832e-19, 2.60941701849678e-19, 1.8465406142176798e-19, 8.908694890394579e-20, -3.1497831318459594e-20, -1.8480466602536398e-19, -3.82053437967006e-19, -6.391899703109339e-19, -9.79836755348844e-19, -1.440625959640512e-18, -2.07973742329638e-18, -2.9946443683757396e-18, -4.3578403356482994e-18, -6.5013604107442196e-18, -1.013230922931306e-17, -1.6990282115252998e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013492681436424346
Energy: 0.770553766067413
Energy: 0.013637021003603
Energy: 0.013811858456936452
Energy: 0.7709764693745332
Energy: 0.013700825617649766
Energy: 0.770553766066785
Energy: 0.14167613938286222
Energy: 0.14141482258357882
Energy: 0.14140862562272974
Energy: 0.14150803795174688
Energy: 0.14182273656018976
Energy: 0.013637021001440375
Energy: 0.14141482258295096
Energy: 0.14173118371260773
Energy: 0.013666043792488923
Energy: 0.1413518644101947
Energy: 0.14143272021191575
Energy: 0.013811858457250381
Energy: 0.1414086256233576
Energy: 0.01366604378819855
Energy: 0.013808638514457391
Energy: 0.14161558202447355
Energy: 0.013904716912230542
Energy: 0.7709764693742194
Energy: 0.14150803795572334
Energy: 0.1413518644092878
Energy: 0.14161558202691524
Energy: 0.14162274768683403
Energy: 0.14144045115073287
Energy: 0.013700825618870604
Energy: 0.14182273656018976
Energy: 0.14143272021376446
Energy: 0.01390471691502103
Energy: 0.1414404511501399
Energy: 0.01363522147221373

minimum gb energy = 0.013492681436424346 eV
minimum distance =  2.5530488565362 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 2.1432225991091007
Energy: 1.0787585837689622
Energy: 1.0859548231364196
Energy: 1.1833069119544697
Energy: 1.0785985145780257
Energy: 1.0938649472973792
Energy: 1.845977873614691
Energy: 1.101222956229215
Energy: 1.1013551480733677
Energy: 1.0946747893215618
Energy: 1.1035754183644966
Energy: 1.1006598291381096
Energy: 1.721770024211564
Energy: 1.1061400181607626
Energy: 1.101398216778553
Energy: 1.145725102158604
Energy: 1.084108261499647
Energy: 1.1010294252450494
Energy: 2.0259595257105616
Energy: 1.1097540190597202
Energy: 1.1484496335394319
Energy: 1.113737158070019
Energy: 1.0839897201452098
Energy: 1.1208208938391546
Energy: 1.8450381098889732
Energy: 1.1048021926163396
Energy: 1.1031027224810528
Energy: 1.0995095368409527
Energy: 1.1077336109429603
Energy: 1.1011133194217058
Energy: 1.8201701471534315
Energy: 1.1025961694319668
Energy: 1.1453531323791482
Energy: 1.1444277570411998
Energy: 1.103543638300335
Energy: 1.1456653242716786
Energy: 1.8132082326873116
Energy: 1.1413008389450907
Energy: 1.1413966150789188
Energy: 1.1454483887358688
Energy: 1.1487113233685848
Energy: 1.1446362285674976
Energy: 1.6892531523539442
Energy: 1.1427948948594548
Energy: 1.144175844455206
Energy: 1.102383911137686
Energy: 1.1429198945045642
Energy: 1.142228077472984
Energy: 1.4781029694240104
Energy: 1.1454673414083185
Energy: 1.1469910951235371
Energy: 1.1041134338342722
Energy: 1.1438297643567594
Energy: 1.1471680313252774
Energy: 1.476119911497548
Energy: 1.0998600272958396
Energy: 1.1020686094177041
Energy: 1.1013472126179364
Energy: 1.0996622450939724
Energy: 1.102903038602792
Energy: 1.3634100915593643
Energy: 1.1440951474259415
Energy: 1.1447888999177416
Energy: 1.0833943885613977
Energy: 1.1444090616473486
Energy: 1.120317376252878
Energy: 1.2379982376609313
Energy: 1.0997012001144961
Energy: 1.1001073473710874
Energy: 1.1056611450063565
Energy: 1.142906588919777
Energy: 1.10062505456223
Energy: 1.2375767350444808
Energy: 1.09789054135597
Energy: 1.099566058908583
Energy: 1.102427247315698
Energy: 1.0986185213328084
Energy: 1.0998171173840872
Energy: 1.3305706272978286
Energy: 1.110471990784099
Energy: 1.110524907886117
Energy: 1.1072891130657787
Energy: 1.1093105206146634
Energy: 1.1096196379788545
Energy: 1.3079363050651431
Energy: 1.1022624866097401
Energy: 1.1016299977874267
Energy: 1.105648110799444
Energy: 1.0974619856899586
Energy: 1.1022652301261648
Energy: 1.3084061258103294
Energy: 1.1464335449709087
Energy: 1.1467685094115487
Energy: 1.103915224845731
Energy: 1.146146644904495
Energy: 1.1475400335418924
Energy: 1.6933255313064057
Energy: 1.1395783645468418
Energy: 1.139291950892245
Energy: 1.1068993428422482
Energy: 1.1424675332229797
Energy: 1.1450925889090338
Energy: 1.6574102869503995
Energy: 1.1496310956743465
Energy: 1.148013114909739
Energy: 1.1475610720904952
Energy: 1.147633981790005
Energy: 1.1478538179905162
Energy: 1.6561562493202748
Energy: 1.1470094128859152
Energy: 1.1479015087420843
Energy: 1.1472768800897457
Energy: 1.1477551719150523
Energy: 1.147346863774834
Energy: 1.721119145015448
Energy: 1.147518715670843
Energy: 1.1479917577591343
Energy: 1.148363897417457
Energy: 1.1472364232134094
Energy: 1.1473401627612965
Energy: 1.8926422864447938
Energy: 1.1496307858062451
Energy: 1.1453065311891477
Energy: 1.1404379447166595
Energy: 1.1230827340313159
Energy: 1.1448548368588936
Energy: 1.8324260254559048
Energy: 1.1534565269498311
Energy: 1.1478478350422676
Energy: 1.1432736833758874
Energy: 1.1043276221056848
Energy: 1.1473254509139923
Energy: 1.9029605979728157
Energy: 1.1020207171511516
Energy: 1.1002268068835634
Energy: 1.0535220363603208
Energy: 1.1040977561410974
Energy: 1.0996269509849967

minimum gb energy = 1.0535220363603208 eV
minimum distance =  2.3736638543464 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 2.480408060046079
Energy: 1.1937165829419651
Energy: 1.2262331224399685
Energy: 1.2347079092396231
Energy: 1.1983752640286858
Energy: 1.3374886672689208
Energy: 1.8142984533797932
Energy: 1.1898139597444053
Energy: 1.179523798851857
Energy: 1.1812621758245099
Energy: 1.2243701639197277
Energy: 1.1830718341345177
Energy: 1.7999437401945195
Energy: 1.2137148801798348
Energy: 1.1836729552525367
Energy: 1.2480021593414463
Energy: 1.1828242142796337
Energy: 1.2192657626327066
Energy: 1.965107768270495
Energy: 1.2259197022838804
Energy: 1.192843819217948
Energy: 1.2783365221746386
Energy: 1.2244684194492452
Energy: 1.2795581111078225
Energy: 1.3515015061191924
Energy: 1.1807142529609735
Energy: 1.1841010052968544
Energy: 1.2137655935097227
Energy: 1.1886659130662147
Energy: 1.1937834942130685
Energy: 1.9751156873585571
Energy: 1.1802259985231187
Energy: 1.1973287272639659
Energy: 1.1957354167029026
Energy: 1.2182964008808694
Energy: 1.1879508258914577
Energy: 1.9752524445243649
Energy: 1.2088577520624253
Energy: 1.20857537986934
Energy: 1.195345237405797
Energy: 1.195314576141502
Energy: 1.2046525760062676
Energy: 1.7865116895089748
Energy: 1.2715591207878172
Energy: 1.2716608665854077
Energy: 1.205984280854532
Energy: 1.271234622131569
Energy: 1.2723967892527717
Energy: 1.5888304626150223
Energy: 1.2736423621698407
Energy: 1.3433718034920477
Energy: 1.362933678077102
Energy: 1.269516803107909
Energy: 1.2100452343656174
Energy: 1.5883934099169843
Energy: 1.3358542252700867
Energy: 1.3341692056749044
Energy: 1.3485780704335522
Energy: 1.3368213582788822
Energy: 1.3349970508071705
Energy: 1.5324814540861216
Energy: 1.1965135777149172
Energy: 1.1964805616407919
Energy: 1.333545430574131
Energy: 1.1972883217088621
Energy: 1.19813783668054
Energy: 1.3953445930677708
Energy: 1.2067220429408052
Energy: 1.3311809668450898
Energy: 1.3637843422108853
Energy: 1.2072424435665898
Energy: 1.1860698847279214
Energy: 1.394611252686513
Energy: 1.342306235111425
Energy: 1.3399965188868368
Energy: 1.3650349093191536
Energy: 1.3406182251855052
Energy: 1.3360865882325876
Energy: 1.5778501792920971
Energy: 1.2776847996351022
Energy: 1.297811589544154
Energy: 1.346213589554969
Energy: 1.2753844552801326
Energy: 1.297391981218146
Energy: 1.5484736869582396
Energy: 1.3396359021803268
Energy: 1.3384619300628249
Energy: 1.3388074060949027
Energy: 1.3308411538957503
Energy: 1.3367249208893248
Energy: 1.5471864336293975
Energy: 1.3434483604343235
Energy: 1.343355934959804
Energy: 1.3676580500934206
Energy: 1.3440802593714114
Energy: 1.3381777192002817
Energy: 1.7294948814131057
Energy: 1.3439484425241817
Energy: 1.3438295845376755
Energy: 1.3617633364425645
Energy: 1.3439248487870203
Energy: 1.3407613495745394
Energy: 1.734328129536449
Energy: 1.318572144003311
Energy: 1.3191729690645084
Energy: 1.271864764023755
Energy: 1.3221524170439272
Energy: 1.2716076639753147
Energy: 1.7372853382950253
Energy: 1.3475179239000425
Energy: 1.3434149520344305
Energy: 1.2691055082298857
Energy: 1.3626298699584256
Energy: 1.3452066012344113
Energy: 1.3541445587548284
Energy: 1.3360089513050708
Energy: 1.3271471805563595
Energy: 1.3229249194342758
Energy: 1.3347240306807597
Energy: 1.325879705610148
Energy: 2.1048973068153365
Energy: 1.3547271413970923
Energy: 1.202148732903936
Energy: 1.207332681269301
Energy: 1.3655741666356822
Energy: 1.209805754856704
Energy: 1.6514478407653297
Energy: 1.335648456317086
Energy: 1.3249765481077969
Energy: 1.206653914207997
Energy: 1.3597908826442335
Energy: 1.3237333776555467
Energy: 1.8674623482365307
Energy: 1.3434024805130302
Energy: 1.3313393618033693
Energy: 1.3309515649688186
Energy: 1.3648261377330029
Energy: 1.3312993327603742
Energy: 1.9633308569409653
Energy: 1.373663606114819
Energy: 1.3681466922419383
Energy: 1.2713200351770344
Energy: 1.370673804765916
Energy: 1.3004951320723623
Energy: 1.8673894474226804
Energy: 1.3218099186710364
Energy: 1.3367035876002031
Energy: 1.3316593362760338
Energy: 1.3213009436240872
Energy: 1.3368194357344823
Energy: 1.322911886027131
Energy: 1.3461987569141232
Energy: 1.3433632173836052
Energy: 1.3220270583524087
Energy: 1.3666180050084897
Energy: 1.3444730064111636
Energy: 1.9761322012497646
Energy: 1.3402559863332728
Energy: 1.3392131569540215
Energy: 1.3447953103347714
Energy: 1.3517461333190626
Energy: 1.3404550270276956
Energy: 1.7399440324549384
Energy: 1.2734266718159366
Energy: 1.2714485068120387
Energy: 1.3232912988628516
Energy: 1.272785825040816
Energy: 1.3214890226667697
Energy: 1.5901922111475955
Energy: 1.2728394564522174
Energy: 1.2713420918964606
Energy: 1.3630702114584832
Energy: 1.2721294517443429
Energy: 1.3413167041145346
Energy: 1.5901798834040288
Energy: 1.3374825833750887
Energy: 1.3348630013944627
Energy: 1.3615041544196105
Energy: 1.3376773851701866
Energy: 1.3318271655579277
Energy: 1.6663260441997048
Energy: 1.206782521582246
Energy: 1.2076564616528227
Energy: 1.3736297428303648
Energy: 1.206625175094152
Energy: 1.2016311389214014
Energy: 1.3927112679130385
Energy: 1.2066470733807657
Energy: 1.2064963004792137
Energy: 1.356725182066475
Energy: 1.2068268591190598
Energy: 1.331447604341734
Energy: 1.3930702743427832
Energy: 1.3372173147112778
Energy: 1.3360625878871006
Energy: 1.3701338382933965
Energy: 1.342753911012824
Energy: 1.336400860707075
Energy: 1.3925753244795114
Energy: 1.2741691483431725
Energy: 1.275560824653255
Energy: 1.3670784222952925
Energy: 1.2712162857342444
Energy: 1.2752173109776619
Energy: 1.5478574695362803
Energy: 1.3373994478676552
Energy: 1.2121698036621038
Energy: 1.2054992766379315
Energy: 1.3400063190435418
Energy: 1.3377208810582417
Energy: 1.546751902379245
Energy: 1.2032612257274677
Energy: 1.2191871822134501
Energy: 1.2457716354240993
Energy: 1.2044656960113713
Energy: 1.2012422657175754
Energy: 1.3581899981815468
Energy: 1.217626624196584
Energy: 1.194965491966363
Energy: 1.1416847706857352
Energy: 1.1949056678023775
Energy: 1.1907889773048477
Energy: 1.7392956522850263
Energy: 1.2040388700428821
Energy: 1.2284189717572012
Energy: 1.2690553398226252
Energy: 1.1869712409549615
Energy: 1.2020331551081438
Energy: 1.7341912497061196
Energy: 1.1825209591369836
Energy: 1.1856113288534174
Energy: 1.2717262246036578
Energy: 1.1908141996717367
Energy: 1.2705820014992681
Energy: 1.1764331520321802
Energy: 1.1797446018116082
Energy: 1.1851102479676996
Energy: 1.1950671694738102
Energy: 1.1836017295814458
Energy: 1.1919191796859683
Energy: 1.2424269654447215
Energy: 1.1768917650861526
Energy: 1.1962004140886153
Energy: 1.2063088372606208
Energy: 1.1792165332205489
Energy: 1.2634553291158392

minimum gb energy = 1.1416847706857352 eV
minimum distance =  2.24475980478344 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 2.200417995318682
Energy: 1.2771972230913853
Energy: 1.257299764486637
Energy: 1.1406115237604657
Energy: 1.248926146711984
Energy: 1.1408058349843317
Energy: 1.7213706578517443
Energy: 1.2246449369261216
Energy: 1.2236568654194466
Energy: 1.1619620047720571
Energy: 1.2193661121060295
Energy: 1.1618400772553183
Energy: 1.9148214849503757
Energy: 1.2188463888888816
Energy: 1.218348987965021
Energy: 1.1614936668948646
Energy: 1.2194826080050623
Energy: 1.2187791481875443
Energy: 1.9141237725470293
Energy: 1.1676565289734804
Energy: 1.2226054948187441
Energy: 1.159411366566441
Energy: 1.1697571490633447
Energy: 1.1543588799552942
Energy: 1.161866376389736
Energy: 1.1602951575188567
Energy: 1.1603087126519456
Energy: 1.1633023252949672
Energy: 1.1620601563258177
Energy: 1.1605010689211606
Energy: 1.6418895907423872
Energy: 1.160358039630271
Energy: 1.1604777866530207
Energy: 1.1611081284950269
Energy: 1.1605797749905962
Energy: 1.160512471765234
Energy: 1.6418506519563185
Energy: 1.1619068056898942
Energy: 1.1610439921109077
Energy: 1.1608855874879347
Energy: 1.163302001736997
Energy: 1.160670527771864
Energy: 1.3337678283994279
Energy: 1.283838811608654
Energy: 1.2834254598557566
Energy: 1.308471772224681
Energy: 1.2744867528293427
Energy: 1.2764483585343085
Energy: 1.3085199466898547
Energy: 1.2472608412811081
Energy: 1.2528116275123014
Energy: 1.2251319538893466
Energy: 1.204471253451221
Energy: 1.2188324393429613
Energy: 1.3084400487662202
Energy: 1.1620351130966833
Energy: 1.1601508648519334
Energy: 1.2183297484883013
Energy: 1.1628703754107041
Energy: 1.2235331256842228
Energy: 1.3083193116702792
Energy: 1.1904236439083296
Energy: 1.1904321643958418
Energy: 1.158628521289462
Energy: 1.1598381438820469
Energy: 1.1857550554826504
Energy: 1.4055283355047847
Energy: 1.1610673480421332
Energy: 1.161248089323727
Energy: 1.1645128121963324
Energy: 1.1552003489974845
Energy: 1.1602663488257123
Energy: 1.4045791120531879
Energy: 1.2839954220317578
Energy: 1.2232937429107786
Energy: 1.2183887274575236
Energy: 1.2834664153291766
Energy: 1.2201926830511973
Energy: 1.4054508841042819
Energy: 1.1583014181558149
Energy: 1.161808508119963
Energy: 1.2038990279015114
Energy: 1.1621053430764143
Energy: 1.1590642940888833
Energy: 1.7628314358901873
Energy: 1.22246179452018
Energy: 1.2226878555639087
Energy: 1.152934051943992
Energy: 1.2198849783670895
Energy: 1.2252775863567624
Energy: 1.762952925382496
Energy: 1.224617111041386
Energy: 1.2235078218032922
Energy: 1.1347446733932742
Energy: 1.157341938059181
Energy: 1.1337301273903373
Energy: 1.1617046569653293
Energy: 1.2192087111769732
Energy: 1.2237581838055325
Energy: 1.1630921055020986
Energy: 1.2194212252184564
Energy: 1.2224520338454516
Energy: 2.060036537225824
Energy: 1.2277325065069729
Energy: 1.1466670691397667
Energy: 1.2028485865080392
Energy: 1.2277694881773118
Energy: 1.1454728445084834

minimum gb energy = 1.1337301273903373 eV
minimum distance =  2.38590934814384 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.8762635130424368
Energy: 1.2336799227540385
Energy: 1.2829276721780036
Energy: 1.3454653871739781
Energy: 1.2326420337321955
Energy: 1.2828943930307721
Energy: 1.5452330414631066
Energy: 1.251840259538196
Energy: 1.2517192887541913
Energy: 1.2864539748589683
Energy: 1.251657808733907
Energy: 1.251340531384856
Energy: 1.9171313323881671
Energy: 1.251707117606315
Energy: 1.2522557781383026
Energy: 1.3056935594883177
Energy: 1.251800694483816
Energy: 1.2533035747858117
Energy: 1.5381931882213806
Energy: 1.252993848864165
Energy: 1.2511106388856117
Energy: 1.2896761359292392
Energy: 1.2518713630724083
Energy: 1.250927582805219
Energy: 1.5452553414414805
Energy: 1.2511008833609065
Energy: 1.286191070272064
Energy: 1.2326532811575022
Energy: 1.2510164126770138
Energy: 1.2867709935402039
Energy: 1.5439506948595496
Energy: 1.2217610832979577
Energy: 1.2851322978178505
Energy: 1.2861670079837697
Energy: 1.2214221862210175
Energy: 1.2859286186784644
Energy: 1.545633811508726
Energy: 1.232373589817909
Energy: 1.2857574400774012
Energy: 1.2858571525543385
Energy: 1.2323030543236253
Energy: 1.2862249431694324
Energy: 1.3947618451872243
Energy: 1.22183280890417
Energy: 1.2224515625248058
Energy: 1.2514322778995863
Energy: 1.2244041985238494
Energy: 1.222855795686328
Energy: 1.2515360866611664
Energy: 1.2219057357715513
Energy: 1.2222636287635544
Energy: 1.2513830580423007
Energy: 1.2217311230815353
Energy: 1.2217575997358685
Energy: 1.2509599488707428
Energy: 1.2867273290109038
Energy: 1.2512587562955038
Energy: 1.2513129616275072
Energy: 1.2860465690810523
Energy: 1.251916848218201
Energy: 1.250310822692459
Energy: 1.2935058493477383
Energy: 1.2934633106872029
Energy: 1.250918481289298
Energy: 1.2935767639214177
Energy: 1.2517189453969981
Energy: 1.3951994118605129
Energy: 1.2858622870979761
Energy: 1.2850887129748274
Energy: 1.251381139262551
Energy: 1.3060740977413798
Energy: 1.251567235284261
Energy: 1.2216984358681535
Energy: 1.2854638221648902
Energy: 1.2856973030973002
Energy: 1.2250235941224679
Energy: 1.286129830404862
Energy: 1.2868537336950399
Energy: 1.3956944937204945
Energy: 1.2862508484559942
Energy: 1.2861179592713134
Energy: 1.2324284642451953
Energy: 1.288336218637778
Energy: 1.2862936390092894
Energy: 1.8450763639623384
Energy: 1.2516673381817962
Energy: 1.2520940689390376
Energy: 1.2224266754519713
Energy: 1.2514679263192217
Energy: 1.2219336739822562
Energy: 1.8450890367405013
Energy: 1.2318607058299267
Energy: 1.2228697642369293
Energy: 1.2234736515432685
Energy: 1.2526619185329322
Energy: 1.2217175585453308
Energy: 1.5455021944605307
Energy: 1.2521798347830209
Energy: 1.251992348574483
Energy: 1.232382181399109
Energy: 1.2511626587726616
Energy: 1.2512942245934602
Energy: 1.5382547303207075
Energy: 1.2523138057419745
Energy: 1.2517626975597513
Energy: 1.2889738933709725
Energy: 1.2514348281009047
Energy: 1.2328995728733294
Energy: 1.5396415063826945
Energy: 1.2524979495668769
Energy: 1.2516259195432249
Energy: 1.2890002507580274
Energy: 1.2516595927636867
Energy: 1.2518122915264671
Energy: 1.5449004204489751
Energy: 1.2215542580870482
Energy: 1.2855135384102765
Energy: 1.2864922232052207
Energy: 1.2214845125289826
Energy: 1.284908037795593
Energy: 1.543946757309792
Energy: 1.2517410530622395
Energy: 1.286139504804293
Energy: 1.2861797594468103
Energy: 1.2514952742363794
Energy: 1.2860807473760385
Energy: 1.544566719249533
Energy: 1.286794510315632
Energy: 1.2851919601887563
Energy: 1.2508484043434853
Energy: 1.2324171513438398
Energy: 1.285425376622914
Energy: 1.3951270313314925
Energy: 1.22140295418642
Energy: 1.2618797917100169
Energy: 1.251589166390074
Energy: 1.223313020487474
Energy: 1.2224358352537623
Energy: 1.2512788089441518
Energy: 1.252450013660804
Energy: 1.2513287954943513
Energy: 1.251523624671962
Energy: 1.269042668979768
Energy: 1.251466641529545
Energy: 1.25146840391328
Energy: 1.2855848050151673
Energy: 1.25259984534355
Energy: 1.2515500874526237
Energy: 1.305704923730464
Energy: 1.2521646678356047
Energy: 1.2318916419989225
Energy: 1.2900022669851305
Energy: 1.2894940993208335
Energy: 1.2509633724387255
Energy: 1.289929239166826
Energy: 1.2515125080458083
Energy: 1.5448816265449632
Energy: 1.2862020741273044
Energy: 1.2853320092607252
Energy: 1.25156132073322
Energy: 1.28613506840002
Energy: 1.2870649414150785
Energy: 1.2213216684432624
Energy: 1.285537460454843
Energy: 1.2876342597956407
Energy: 1.2213246222958383
Energy: 1.2859181793480592
Energy: 1.2844402610466648
Energy: 1.3954293756956564
Energy: 1.285658423451143
Energy: 1.2865254942393614
Energy: 1.2324754952298833
Energy: 1.2858233199807636
Energy: 1.2850789538334977
Energy: 1.8435723548575182
Energy: 1.2314941334154133
Energy: 1.222471542511978
Energy: 1.2233501956637658
Energy: 1.2521780373708442
Energy: 1.2229999649174417

minimum gb energy = 1.2213216684432624 eV
minimum distance =  2.37250403177779 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.5446304500405337
Energy: 1.0537369355803692
Energy: 1.009522906429034
Energy: 1.1135226602434376
Energy: 1.0529120827294836
Energy: 1.006315915817394
Energy: 1.4507939174895526
Energy: 1.052641270978047
Energy: 1.0528334744219698
Energy: 1.0528868421357689
Energy: 1.0535635141406565
Energy: 1.0534274787445361
Energy: 1.3566209197515116
Energy: 1.1114220271900181
Energy: 1.052546935394593
Energy: 1.0532794455607704
Energy: 1.0522912848002153
Energy: 1.0536435616594129
Energy: 1.0883016705525361
Energy: 1.0527287363898128
Energy: 1.0529091642720607
Energy: 1.0529407283170016
Energy: 1.0531915197337396
Energy: 1.0525618766239335
Energy: 1.4523168087983576
Energy: 1.0070111243301794
Energy: 1.0531683745126985
Energy: 1.052847108510656
Energy: 1.0068449566646596
Energy: 1.0548005912345781
Energy: 1.2338260155648717
Energy: 1.1250300891252032
Energy: 1.078876110622208
Energy: 1.232129547377061
Energy: 1.1244794873284152
Energy: 1.0061909658944685
Energy: 1.233874148948109
Energy: 1.08616888876939
Energy: 1.054440389856908
Energy: 1.0535368530977696
Energy: 1.0826231665907577
Energy: 1.053691176187554
Energy: 1.292311820768231
Energy: 1.0770000807177234
Energy: 1.0782566823836746
Energy: 1.1128615775215902
Energy: 1.0767219258278875
Energy: 1.0519298778370771
Energy: 1.356915682455414
Energy: 1.0523767429115787
Energy: 1.0860770679655058
Energy: 1.0533845680458698
Energy: 1.0528738886500317
Energy: 1.087219342254186
Energy: 1.1534078095324163
Energy: 1.0545485999819322
Energy: 1.0540087198086348
Energy: 1.0532187053578024
Energy: 1.0915502898670104
Energy: 1.0542541265886274
Energy: 1.359688394602463
Energy: 1.1456918231264523
Energy: 1.1454768380002534
Energy: 1.0544764176560055
Energy: 1.1489467050876059
Energy: 1.0848216209962904
Energy: 1.271231060588165
Energy: 1.0530172332650987
Energy: 1.0530539905541598
Energy: 1.0534252660424808
Energy: 1.053482579213616
Energy: 1.0533041125463964

minimum gb energy = 1.0061909658944685 eV
minimum distance =  2.41042199684999 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.9484881273802344
Energy: 1.0195499670712616
Energy: 0.9795843288944792
Energy: 0.9960859202716875
Energy: 1.0035815093540068
Energy: 0.9984328468417384
Energy: 0.9865815837396246
Energy: 0.9644709540534863
Energy: 0.9682631654727161
Energy: 0.9687582658745377
Energy: 0.9753628510747511
Energy: 0.9677668497467843
Energy: 1.1290961290531156
Energy: 0.9735114202335711
Energy: 0.9748271713398344
Energy: 0.9924718993689252
Energy: 0.9734416777867143
Energy: 0.9761572541500545
Energy: 1.1305344488747546
Energy: 0.9757818439893378
Energy: 0.9777424479041671
Energy: 0.974733523540656
Energy: 0.9751157096119669
Energy: 0.9755442688996826
Energy: 0.9993239296263452
Energy: 1.0007229278329657
Energy: 0.9670966052088493
Energy: 0.98366460239984
Energy: 0.9732815649449846
Energy: 0.9887648513463725
Energy: 1.0607394546901225
Energy: 0.9765488927137508
Energy: 0.9707036952645508
Energy: 0.9813027141287862
Energy: 0.9707250374774311
Energy: 0.9707310316482305
Energy: 1.062847954003689
Energy: 0.9769110137005692
Energy: 0.9809159471042441
Energy: 0.9888384641437189
Energy: 0.9754933239299469
Energy: 0.9748849680004301
Energy: 1.0823976135212854
Energy: 0.9676684147914411
Energy: 0.9754036330742872
Energy: 0.979130844645722
Energy: 0.9631619438687452
Energy: 0.9755265747380709
Energy: 1.2477866837270437
Energy: 0.9844150044132676
Energy: 0.9768534116167454
Energy: 0.9736500428763027
Energy: 0.975464696622741
Energy: 0.9780104918805211
Energy: 1.017128502421798
Energy: 0.9759728985541491
Energy: 0.9752163153927544
Energy: 0.9756531149516872
Energy: 0.9774124729493792
Energy: 0.9741708657638523
Energy: 1.0169563763645608
Energy: 0.9763572491427137
Energy: 0.9779959496367493
Energy: 0.9671522470434132
Energy: 0.9759120753293417
Energy: 0.9922019711182135
Energy: 1.2477722411937613
Energy: 0.99363366989975
Energy: 0.9875442530991457
Energy: 0.9759319352643231
Energy: 1.001952148794148
Energy: 0.9927986894700532
Energy: 0.9363237866262565
Energy: 0.9955570482025432
Energy: 0.9793147808946878
Energy: 0.9899084090467268
Energy: 1.001443764797454
Energy: 0.9784101882013323
Energy: 1.2478083937126974
Energy: 0.9869978559102074
Energy: 0.9880290777369337
Energy: 0.9756992315394406
Energy: 0.9918368447363538
Energy: 0.9928051853734883
Energy: 1.049121502490832
Energy: 0.9458003637383001
Energy: 0.9444648208274501
Energy: 0.974086776913615
Energy: 0.9466333808420007
Energy: 0.9794940555709767
Energy: 1.0492288183247667
Energy: 0.9629034856212778
Energy: 0.981272982484841
Energy: 0.9742069201220325
Energy: 0.9674683495188151
Energy: 0.9899815484461432
Energy: 1.0476468525743525
Energy: 0.9729638923744724
Energy: 0.9787828028895383
Energy: 0.9754205002745548
Energy: 0.9720213714233924
Energy: 0.9722539379729987
Energy: 1.139608442177692
Energy: 0.9903858290161367
Energy: 0.9790060008603451
Energy: 0.9710345919740048
Energy: 0.9806186922536613
Energy: 0.9790515554655014
Energy: 1.1295359744705513
Energy: 0.9633976317748874
Energy: 0.9646570836735272
Energy: 0.9909312423799015
Energy: 0.9651425419678963
Energy: 0.9660615472749454
Energy: 1.1278909631134972
Energy: 0.9603001345227117
Energy: 0.9593052419796816
Energy: 0.9636147767351765
Energy: 0.962732364432089
Energy: 0.9473054810428616
Energy: 1.130276984471415
Energy: 0.9837734496849342
Energy: 0.9809152298473207
Energy: 0.9869461701482523
Energy: 0.9894692837433658
Energy: 0.9632038542057283
Energy: 1.1790084340413085
Energy: 0.9871669876920526
Energy: 0.9724356923560782
Energy: 0.9733636767713689
Energy: 0.9874679424858978
Energy: 0.9643967869781161
Energy: 1.4252523262079149
Energy: 0.9716572682289919
Energy: 0.9754613890882432
Energy: 0.9731339653280594
Energy: 0.972247844833922
Energy: 0.9720618524363932
Energy: 0.98780983915934
Energy: 0.9748659304085654
Energy: 0.9893381933388897
Energy: 0.9932282190587648
Energy: 0.9737003985205073
Energy: 0.9809680589922849
Energy: 1.3517682849358443
Energy: 0.968871690569939
Energy: 0.9787727577789231
Energy: 0.9666746210645226
Energy: 0.9749021960931623
Energy: 0.9753495626503459
Energy: 0.9877383096562302
Energy: 0.9767642079000431
Energy: 0.9945389216664772
Energy: 0.9822638426068702
Energy: 0.9763982381504875
Energy: 0.9889875367321953
Energy: 1.2295674967840646
Energy: 0.978310578910814
Energy: 0.974061079749984
Energy: 1.2364147469522067
Energy: 1.0006552695640434
Energy: 0.9949225406698932
Energy: 1.0615276214553497
Energy: 0.9753295954850327
Energy: 0.9758106417484196
Energy: 0.9768562666569934
Energy: 0.9747967095234968
Energy: 0.9901212474554169
Energy: 1.0611556545059013
Energy: 0.9935106652488654
Energy: 0.9922596222715117
Energy: 1.0152915225262749
Energy: 0.9752894649476213
Energy: 0.978486451735783
Energy: 1.0563502263252555
Energy: 0.9659972493215351
Energy: 0.9749046328412976
Energy: 0.9758100563120252
Energy: 0.9630231776579804
Energy: 0.9752505246523578
Energy: 1.0172653966002463
Energy: 0.9765695715143087
Energy: 0.9783908407796308
Energy: 0.9672663125705782
Energy: 0.9740241083640301
Energy: 0.9756082524790245
Energy: 1.7815028750679285
Energy: 0.9791364681892581
Energy: 0.9765150009835307
Energy: 0.9690964744435152
Energy: 0.9814082193285559
Energy: 0.9740705818491813
Energy: 1.2475169708680043
Energy: 0.9878591161168929
Energy: 0.9747829455162182
Energy: 0.9737740220656025
Energy: 0.9909817898110325
Energy: 0.9751548682866735
Energy: 1.1027371845436809
Energy: 0.9876245881462182
Energy: 0.9877804765612858
Energy: 0.9915595226638094
Energy: 0.9832565235914754
Energy: 0.9744666966673768
Energy: 1.2500026594367561
Energy: 0.9885373793646012
Energy: 0.9886242113567036
Energy: 0.9742799702527093
Energy: 0.9856160503992726
Energy: 0.9895090097900492
Energy: 1.0830358913007825
Energy: 0.946088045737876
Energy: 0.9692169670517754
Energy: 0.9762535696167574
Energy: 0.9469382551273292
Energy: 0.9824226581540495
Energy: 1.0487737707030886
Energy: 0.9827146858431204
Energy: 0.9677832530032026
Energy: 0.9738294051731708
Energy: 0.9692839388683181
Energy: 0.9766232158341189
Energy: 1.0476550741586934
Energy: 0.9688688798598543
Energy: 0.9749248460298499
Energy: 0.9741030054429269
Energy: 0.9683740073754206
Energy: 0.9680820290122957
Energy: 1.0479031924909425
Energy: 0.9915103184457125
Energy: 0.9910006042178718
Energy: 0.9741230299761757
Energy: 0.9908436360327549
Energy: 0.9795702520536254
Energy: 1.1301074442873067
Energy: 0.9687865109887498
Energy: 0.9752102104655533
Energy: 0.9747504043716226
Energy: 0.9691447450579103
Energy: 0.9692315838286046
Energy: 1.126884219533508
Energy: 0.9492291349605286
Energy: 0.9480649176059536
Energy: 0.966450074436896
Energy: 0.9628164306120262
Energy: 0.9632223708388958
Energy: 1.1299385691850448
Energy: 0.9605613044665615
Energy: 0.9605250627117812
Energy: 0.9933187376076682
Energy: 0.9622263664080148
Energy: 0.9629313697125904
Energy: 1.4247452790750006
Energy: 0.9746088322795297
Energy: 0.9749221000876791
Energy: 0.9762452924258157
Energy: 0.9636970377712316
Energy: 0.9720389357290575

minimum gb energy = 0.9363237866262565 eV
minimum distance =  2.37345680276495 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 1.1298425440038873
Energy: 0.8396946030594518
Energy: 0.8858006325294491
Energy: 0.8721283560554994
Energy: 0.8426955231309172
Energy: 0.8532436300385777
Energy: 1.0137025314717791
Energy: 0.8939140290179912
Energy: 0.8932914310927659
Energy: 0.8382524480721668
Energy: 0.8697527921646653
Energy: 0.8940052840330508
Energy: 1.1077085845158963
Energy: 0.8786146830199454
Energy: 0.8970687348976127
Energy: 0.893806599580459
Energy: 0.8762698361021365
Energy: 0.8948859222380136
Energy: 1.1083139963960777
Energy: 0.8808696729835559
Energy: 0.8825607809707727
Energy: 0.8501489150636808
Energy: 0.8769922612707313
Energy: 0.8836731707205058
Energy: 1.0139829587560936
Energy: 0.5344751366877468
Energy: 0.5354280447925903
Energy: 0.8398502522722581
Energy: 0.5337294211228031
Energy: 0.8406721550858275
Energy: 1.0277937042526852
Energy: 0.5317772087617793
Energy: 0.5345919615383569
Energy: 0.8385838219013657
Energy: 0.5324892821576597
Energy: 0.5322351549490496
Energy: 1.029435516979462
Energy: 0.8426879981400911
Energy: 0.8467747470345801
Energy: 0.8412504434474906
Energy: 0.8404318410465224
Energy: 0.8566945377408256
Energy: 1.1704277707214534
Energy: 0.8508922409252587
Energy: 0.8440376314908851
Energy: 0.8378635051998219
Energy: 0.8447674023810501
Energy: 0.8431643893017562
Energy: 1.040219126285424
Energy: 0.8397736297572804
Energy: 0.8512403994959189
Energy: 0.8887705536108312
Energy: 0.8408285622618372
Energy: 0.8438339162877523
Energy: 0.5751156543826148
Energy: 0.844114683002879
Energy: 0.5319953514440446
Energy: 0.5332439934954742
Energy: 1.0608423282569277
Energy: 0.5332375200282052
Energy: 0.5751011731807889
Energy: 0.8366908190499345
Energy: 0.8393643724208142
Energy: 0.5332452244482725
Energy: 1.059433022176816
Energy: 0.5334941489961548
Energy: 1.0401856064084876
Energy: 0.8392827593226149
Energy: 0.8491015558256566
Energy: 0.8553103718415125
Energy: 0.8488597579188766
Energy: 0.8509378925299409
Energy: 1.0269032604335597
Energy: 0.85480897267484
Energy: 0.9731832607510555
Energy: 0.9635127621655957
Energy: 0.8561195009415327
Energy: 0.9735253448859693
Energy: 1.039905583994884
Energy: 0.8403350131196037
Energy: 0.8408633049054425
Energy: 0.8415624904382775
Energy: 0.84056158160165
Energy: 0.841434458903381
Energy: 1.037892017167034
Energy: 0.5339736480945788
Energy: 0.5313266425973707
Energy: 0.8396894072323615
Energy: 0.5323803671385008
Energy: 0.5321958262423377
Energy: 1.0056171050028069
Energy: 0.8398316565537712
Energy: 0.8396400575535893
Energy: 0.8425698284184774
Energy: 0.536280932005151
Energy: 0.8397864102397246
Energy: 1.0970518490285932
Energy: 0.900998125621073
Energy: 0.8974078275070589
Energy: 0.8938095671942109
Energy: 0.8467847311057463
Energy: 0.896869654688337
Energy: 0.9074907205217619
Energy: 0.8740518213369046
Energy: 0.8378128390151404
Energy: 0.8947044241569988
Energy: 0.8721169326500543
Energy: 0.8965543475022029
Energy: 1.0654511980818535
Energy: 0.8396167461281615
Energy: 0.8372350502800902
Energy: 0.8678377310719915
Energy: 0.8486713155465833
Energy: 0.8506092747623768

minimum gb energy = 0.5313266425973707 eV
minimum distance =  2.37713416347384 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.6433883883665978
Energy: 1.698867980455368
Energy: 0.9746984212363962
Energy: 0.7654158188030094
Energy: 0.9610120541532341
Energy: 0.9733718071742773
Energy: 0.8010706505651299
Energy: 0.7581655507518892
Energy: 0.761066731477229
Energy: 0.754814118709748
Energy: 0.7542053887872219
Energy: 0.761092555315716
Energy: 0.8154726284376954
Energy: 0.7538880141857783
Energy: 0.7553406551958696
Energy: 0.7531114922560845
Energy: 0.7532360842854633
Energy: 0.75716574711607
Energy: 0.8144695790187626
Energy: 0.755983573905987
Energy: 0.7558947839616053
Energy: 0.7528995092784195
Energy: 0.7531840182421283
Energy: 0.7563325232892499
Energy: 0.8011256230875138
Energy: 0.8668795484009094
Energy: 0.8686890389290743
Energy: 0.7547074384845976
Energy: 0.8654086864341539
Energy: 0.7581120861767289
Energy: 0.8514680375448066
Energy: 0.7624609844380207
Energy: 0.7617648508518204
Energy: 0.7513917831841941
Energy: 0.7561451103542497
Energy: 0.8682968725578406
Energy: 0.8592828449324748
Energy: 0.7569090799669278
Energy: 0.7570757741781182
Energy: 0.7536851128199267
Energy: 0.7539293157959418
Energy: 0.7573284201958229
Energy: 0.8232385616930127
Energy: 0.9256629727253749
Energy: 0.926989693905638
Energy: 0.7513900312883622
Energy: 0.924421076942713
Energy: 0.7670085714768866
Energy: 0.8577700090963378
Energy: 0.7541675551331858
Energy: 0.7563196640390266
Energy: 0.7546284772540632
Energy: 0.7541643833956841
Energy: 0.7568501846178788
Energy: 1.1606319142248265
Energy: 0.7605565595235528
Energy: 0.8706025799419006
Energy: 0.7567124429057434
Energy: 0.7571218825581065
Energy: 0.7599397370912508
Energy: 0.8918832258541468
Energy: 0.8649816265618047
Energy: 0.8687439476980053
Energy: 0.8650540643371513
Energy: 0.864644589071557
Energy: 0.8691839707419561
Energy: 1.0257243806593077
Energy: 0.7519353265487412
Energy: 0.7553894553529917
Energy: 0.9245376576078199
Energy: 0.7566360047620705
Energy: 0.7535179575134133
Energy: 1.2073646433109382
Energy: 0.7531496455299341
Energy: 0.751273319950091
Energy: 0.9253928498992867
Energy: 0.7579267228431704
Energy: 0.7533744609881626
Energy: 1.0276014238824795
Energy: 0.978702725633456
Energy: 0.9766609817664947
Energy: 0.8686279352702175
Energy: 0.8682350101977089
Energy: 0.9763509561215986
Energy: 1.0285704328675338
Energy: 0.7557622533870372
Energy: 0.7578148214162067
Energy: 0.8668324871708638
Energy: 0.7548928668834979
Energy: 0.8695993885500299
Energy: 1.248876007980189
Energy: 0.8682926215209116
Energy: 0.9760922543092674
Energy: 0.8672044186341399
Energy: 0.8684585334948509
Energy: 0.9759177981482066
Energy: 1.3991532318227664
Energy: 0.7717111162991702
Energy: 0.75630246629943
Energy: 1.106528768428817
Energy: 0.7737578698197773
Energy: 0.7565376693090905
Energy: 1.6223664592983686
Energy: 0.8670980549442061
Energy: 0.8671496277852669
Energy: 0.7541755381365334
Energy: 0.866080910494127
Energy: 0.867606423159509
Energy: 0.889593987580533
Energy: 0.7570935288795435
Energy: 0.7562000535382329
Energy: 0.7537769253444222
Energy: 0.7526801186865115
Energy: 0.7551464341522144
Energy: 1.1231150420104559
Energy: 1.2808007177563576
Energy: 0.9646026601154578
Energy: 0.930337108974252
Energy: 0.9288104448732988
Energy: 0.9640423989377845
Energy: 1.2486126021807684
Energy: 0.8649663105624449
Energy: 0.8677191012811991
Energy: 0.8665139508355886
Energy: 0.9719422418766845
Energy: 0.866227350658486
Energy: 0.805210643226336
Energy: 0.7582280281155994
Energy: 0.7586144259647062
Energy: 0.8661217582529537
Energy: 0.756883177976011
Energy: 0.97612358546512
Energy: 0.8078429185009902
Energy: 0.8677595174290469
Energy: 0.8696287798176427
Energy: 0.7537876584384485
Energy: 0.7585628232003615
Energy: 0.8687552799279538
Energy: 0.9850123413322694
Energy: 0.7531884705719215
Energy: 0.7532118352711392
Energy: 0.92714690977983
Energy: 0.752800891742439
Energy: 0.7598069543336697
Energy: 0.9728389215740514
Energy: 0.7548276384018344
Energy: 0.7542641232448537
Energy: 0.9280600393211915
Energy: 0.7533178283348118
Energy: 0.7527799806819988
Energy: 0.8813978721057103
Energy: 0.7548044631073729
Energy: 0.7581315567387639
Energy: 0.9713691833332647
Energy: 0.7524968286345268
Energy: 0.7587523845999578

minimum gb energy = 0.751273319950091 eV
minimum distance =  2.41939615012868 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.8142534685497131
Energy: 0.8060265111402344
Energy: 0.8037323636491652
Energy: 1.256501272463497
Energy: 0.8043689097838433
Energy: 0.8317704961229265
Energy: 0.8618975950519184
Energy: 0.8034067704991138
Energy: 0.8022668963931905
Energy: 0.8071771308135673
Energy: 0.8089182141116904
Energy: 0.8020580685878709
Energy: 0.8585691179275853
Energy: 0.8041808911009153
Energy: 0.8037076948458453
Energy: 0.8054360644138202
Energy: 0.804439505122667
Energy: 0.8035623510989318
Energy: 0.8585634637010836
Energy: 0.8049598231424524
Energy: 0.803645757297786
Energy: 0.8057862167876821
Energy: 0.8053530809211679
Energy: 0.8038535051122807
Energy: 0.8607919767032344
Energy: 0.8131023881366882
Energy: 0.8116328068972898
Energy: 0.8037693368773008
Energy: 0.8130624027176777
Energy: 0.8031815378275385
Energy: 0.9385513915310666
Energy: 0.8048376274576433
Energy: 0.8057219132963138
Energy: 0.805584332867198
Energy: 0.8056861610429374
Energy: 0.8119103905236582
Energy: 0.9391555779697303
Energy: 0.806619015508285
Energy: 0.804508238504552
Energy: 0.8045796063425105
Energy: 0.8079076861640673
Energy: 0.8040212344325154
Energy: 0.8905645009079812
Energy: 0.8060259955251492
Energy: 0.8070430582442722
Energy: 0.8092870117592451
Energy: 0.8054177325025109
Energy: 0.8001030754404835
Energy: 0.9408736603292942
Energy: 0.8029149660095589
Energy: 0.8067631425037213
Energy: 0.8030114924374798
Energy: 0.8068568793653781
Energy: 0.8036309355934237
Energy: 1.37573408589591
Energy: 0.8057928391073
Energy: 0.8040014327231465
Energy: 0.8112474768562037
Energy: 0.808641472728351
Energy: 0.8024627900691942
Energy: 0.9406826532636521
Energy: 0.8069151299817882
Energy: 0.8060826744216781
Energy: 0.8104080079563432
Energy: 0.808192603687036
Energy: 0.8063778727993965
Energy: 0.940195890514955
Energy: 0.8004960193465958
Energy: 0.8006246308648863
Energy: 0.8078830320830817
Energy: 0.803025698294681
Energy: 0.8058773859157488
Energy: 0.8645307744109236
Energy: 0.8017484992377034
Energy: 0.8013825579716763
Energy: 0.8077508850323831
Energy: 0.8023947545468759
Energy: 0.8019045093791145
Energy: 0.8678710716269752
Energy: 0.8021077152567165
Energy: 0.8010268526966675
Energy: 0.8082383032538135
Energy: 0.8033697975445835
Energy: 0.8004663464540983
Energy: 0.8654698074244747
Energy: 0.8024666912690951
Energy: 0.8017115549949253
Energy: 0.8048595815182736
Energy: 0.8289891588066847
Energy: 0.8041133420148462
Energy: 0.8634013766265831
Energy: 0.8043445203084486
Energy: 0.8031325301808496
Energy: 0.8082125113496088
Energy: 0.803023151376719
Energy: 0.8036880744763487
Energy: 1.7963568151603129
Energy: 0.8141267416662998
Energy: 0.812114519988846
Energy: 1.08180522739789
Energy: 0.7995033592045079
Energy: 0.8091246568768178
Energy: 0.8918036449852106
Energy: 0.8067722549174206
Energy: 0.8043198438406395
Energy: 0.8057292894959539
Energy: 0.8082846724285183
Energy: 0.8046967373675354
Energy: 0.8597575216951525
Energy: 0.8030983162949293
Energy: 0.802665414742995
Energy: 0.808059864817436
Energy: 0.8058109222031776
Energy: 0.8041528765218232
Energy: 0.8582319230344387
Energy: 0.8045618615713708
Energy: 0.8028609883556825
Energy: 0.8054266122108608
Energy: 0.8038806692349205
Energy: 0.8026567635718952
Energy: 0.8622238852056492
Energy: 0.803237895751673
Energy: 0.8060845807895696
Energy: 0.8081055087715544
Energy: 0.8056506843754481
Energy: 0.8040260026651606
Energy: 1.4715142117922695
Energy: 1.05068811711265
Energy: 1.0503505724019668
Energy: 0.8053691478498859
Energy: 1.0507853123676858
Energy: 1.0516445281873066
Energy: 0.9409296737619498
Energy: 0.805427762384077
Energy: 0.803045752587168
Energy: 0.8094028416308062
Energy: 0.8067342276334306
Energy: 0.8014334712899177
Energy: 0.8903617748918479
Energy: 0.8390727877678922
Energy: 0.8391003223056384
Energy: 0.8082680286617309
Energy: 0.805129061804468
Energy: 0.803458385778157
Energy: 0.9392118112065692
Energy: 0.807063617079254
Energy: 0.8030294867450666
Energy: 0.8013623575934488
Energy: 0.8074749428446765
Energy: 0.8026362546063911
Energy: 0.9407019426949954
Energy: 0.8072674241191593
Energy: 0.8060366707996324
Energy: 0.8106840055670916
Energy: 0.8079259348769602
Energy: 0.8066368669835909
Energy: 0.9381132971738687
Energy: 0.8054191269603651
Energy: 0.8033819452854624
Energy: 0.8105727065608282
Energy: 0.8055604985094653
Energy: 0.8022141400781998
Energy: 0.9373676185972508
Energy: 0.8082598947966514
Energy: 0.8159307901657725
Energy: 0.8071526727099991
Energy: 0.8018308910930315
Energy: 0.8070333358079335
Energy: 0.8662831150321182
Energy: 0.8037548090609541
Energy: 0.8545381802236652
Energy: 0.7976328534160755
Energy: 0.8510895976424417
Energy: 0.8468872748269299
Energy: 0.8650770594461106
Energy: 0.8152116017095474
Energy: 0.8164674525986397
Energy: 0.8067247662193667
Energy: 0.8151576690883258
Energy: 0.817295503313507
Energy: 0.870252330741653
Energy: 0.8023901045930224
Energy: 0.8023709422620431
Energy: 0.8053104166997376
Energy: 1.0701232140517147
Energy: 0.8043859361751309
Energy: 0.8640256483791843
Energy: 0.8054218485260595
Energy: 0.8037590146741055
Energy: 0.8032880248994643
Energy: 0.8020648544457853
Energy: 0.8024986740413351
Energy: 0.9863679515267837
Energy: 0.8051799087109435
Energy: 0.8050110805246299
Energy: 0.8082158419815028
Energy: 0.8061787868049114
Energy: 0.8042973812392372

minimum gb energy = 0.7976328534160755 eV
minimum distance =  2.40623454733955 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.0675593661287528
Energy: 0.8702164588560009
Energy: 0.8688907994615753
Energy: 0.9295114964154477
Energy: 0.868639111473514
Energy: 0.8690017896166344
Energy: 0.9361549239571388
Energy: 0.8701246386437635
Energy: 0.8673856173411608
Energy: 0.8725298946320361
Energy: 0.8696811760293071
Energy: 0.8671695612272703
Energy: 0.9298853376009628
Energy: 0.8735415319558647
Energy: 0.8716756938390321
Energy: 0.8734292236061407
Energy: 0.87671357663501
Energy: 0.8708551015539513
Energy: 0.9306837224314751
Energy: 0.8701479553911324
Energy: 0.8706558453095675
Energy: 0.8710787142335384
Energy: 0.8739355184314366
Energy: 0.8694721682629671
Energy: 0.9264215862638556
Energy: 0.8785171844702561
Energy: 0.8744229951561386
Energy: 0.8667819019759062
Energy: 0.8775139767339803
Energy: 0.8749518914226161
Energy: 0.9243562085187873
Energy: 0.8771914647981204
Energy: 0.8747055808181017
Energy: 0.8648639986281671
Energy: 0.8793845716023564
Energy: 0.874422649867607
Energy: 0.9809265092244485
Energy: 0.8820266857968192
Energy: 0.8665996431442099
Energy: 0.8738342831448984
Energy: 0.8820946559058004
Energy: 0.870100103078866
Energy: 0.9713064380598874
Energy: 0.8805694501463728
Energy: 0.9234477130680634
Energy: 0.8681903268873468
Energy: 0.8810364675618745
Energy: 0.9451172655485848
Energy: 0.9806901157812115
Energy: 0.8819493943294507
Energy: 0.8894184635682829
Energy: 0.8769125928784269
Energy: 0.8768014902966923
Energy: 0.8903508790677661
Energy: 0.9843959310793848
Energy: 0.8864029252950386
Energy: 0.8860845825201005
Energy: 0.8733106888666764
Energy: 0.8786115213132847
Energy: 0.8866401845434294
Energy: 0.98208545172998
Energy: 0.8834874665653915
Energy: 0.8657170972240492
Energy: 0.8727424959402513
Energy: 0.8837548326654884
Energy: 0.8663248723300888
Energy: 0.9813858331984453
Energy: 0.8689615974378977
Energy: 0.8835321726743041
Energy: 0.8705455013164043
Energy: 0.8675598242847341
Energy: 0.8834223204402162
Energy: 0.92470859682478
Energy: 0.8676040487193343
Energy: 0.8838762653613552
Energy: 0.8707159186088667
Energy: 0.8656981332123486
Energy: 0.8698673942506663
Energy: 0.9510153399923241
Energy: 0.8707730216842047
Energy: 0.8691754982129701
Energy: 0.8701755439046905
Energy: 0.8719411392645701
Energy: 0.8695715584218073
Energy: 0.8839874241019329
Energy: 0.869283944625615
Energy: 0.8678924221002775
Energy: 0.8774079531525875
Energy: 0.8716961487629764
Energy: 0.8671881515904641
Energy: 0.940758154101736
Energy: 0.8748309014352738
Energy: 0.8709583071761048
Energy: 0.8712017572702863
Energy: 0.8732425737756085
Energy: 0.8684977623442733
Energy: 0.9865395548774009
Energy: 0.8710614649293092
Energy: 0.8893807455438698
Energy: 0.8803294377495965
Energy: 0.8662850408276723
Energy: 0.8877543515178113
Energy: 0.9846017484065575
Energy: 0.8780271252967179
Energy: 0.8891271142528606
Energy: 0.877986958730988
Energy: 0.869020511830045
Energy: 0.8829993788493765
Energy: 1.0010714184697078
Energy: 0.8710488367886116
Energy: 0.8741254703829187
Energy: 0.8705964496292248
Energy: 0.872129933597003
Energy: 0.8850763919643622
Energy: 0.89275724676052
Energy: 0.8684913734745816
Energy: 0.8666456340381865
Energy: 0.8766820529247601
Energy: 0.8719608746326181
Energy: 0.884951711486974
Energy: 0.8918087544591292
Energy: 0.8815431857707795
Energy: 0.8821415552247522
Energy: 0.8755504228646377
Energy: 0.8814329494903964
Energy: 0.882031058405351
Energy: 0.8938316457002814
Energy: 0.8759750145999041
Energy: 0.8814210848424627
Energy: 0.8775740205141344
Energy: 0.8680578914151184
Energy: 0.8815211274863363
Energy: 0.9297268731600703
Energy: 0.8700237860279056
Energy: 0.8684401882870956
Energy: 0.8849479102880753
Energy: 0.8724533994716634
Energy: 0.8820546850671438
Energy: 0.9778181465188203
Energy: 0.8693509008737934
Energy: 0.8649064455802332
Energy: 0.8672650807818841
Energy: 0.8698338990396313
Energy: 0.8650070270552146
Energy: 0.9780277127382543
Energy: 0.8724686853691475
Energy: 0.8806559228389044
Energy: 0.8832223008925133
Energy: 0.8713494046106399
Energy: 0.8804854111021696
Energy: 0.9312128718538353
Energy: 0.8716189963706408
Energy: 0.866972421885694
Energy: 0.8717572570785559
Energy: 0.8747837432445348
Energy: 0.8675929421279103
Energy: 0.9295091540240331
Energy: 0.8689239235161718
Energy: 0.8702106283229135
Energy: 0.8725956180096704
Energy: 0.8713480849267342
Energy: 0.8691608017630568
Energy: 0.9277510981383872
Energy: 0.8730209105134684
Energy: 0.879765948051396
Energy: 0.8679514596149142
Energy: 0.8807990010654525
Energy: 0.8798644685169447
Energy: 0.9238736707213056
Energy: 0.8786474577313874
Energy: 0.8766014166052785
Energy: 0.8651156777237722
Energy: 0.8811350395581782
Energy: 0.8767661631479208
Energy: 0.980641003314004
Energy: 0.8823655927085639
Energy: 0.8819033110102543
Energy: 0.8761445216282379
Energy: 0.8819624128814451
Energy: 0.868190734776803
Energy: 0.9667238116199015
Energy: 0.8804858559934869
Energy: 0.9225776774768414
Energy: 0.8841746360532631
Energy: 0.8764625491589303
Energy: 0.867612370225274
Energy: 0.9811616266601905
Energy: 0.8819866384460769
Energy: 0.8817651266011846
Energy: 0.8814626152827748
Energy: 0.8822595952304437
Energy: 0.8814291016082074
Energy: 0.9831797352136756
Energy: 0.8847230606510891
Energy: 0.8849922845086585
Energy: 0.8713221244285823
Energy: 0.8843644169797271
Energy: 0.8841048151893169
Energy: 0.9830128158575329
Energy: 0.8845837137328574
Energy: 0.8838958841348371
Energy: 0.8710155689333935
Energy: 0.8800679398570337
Energy: 0.8658328089394779
Energy: 0.9807755970749977
Energy: 0.8830707058029098
Energy: 0.8885623669979476
Energy: 0.8725567911302563
Energy: 0.8703323619453609
Energy: 0.8818739706127143
Energy: 0.9241034705965363
Energy: 0.8692890321263643
Energy: 0.8686227570387044
Energy: 0.8665182728429957
Energy: 0.865434265307937
Energy: 0.8667454957253831
Energy: 0.944890281376607
Energy: 0.8682797960872157
Energy: 0.8703283616659035
Energy: 0.8728034403051159
Energy: 0.8702250526554753
Energy: 0.8706740820868356
Energy: 0.94548435836161
Energy: 0.8666466080390227
Energy: 0.8714218035162459
Energy: 0.9379146972356219
Energy: 0.8665537189875141
Energy: 0.8681770329192322
Energy: 0.9452062773349539
Energy: 0.8730497482569243
Energy: 0.8685554033259609
Energy: 0.8712872721075156
Energy: 0.8735017564885739
Energy: 0.8662878162980344
Energy: 0.9852354364072002
Energy: 0.8700175160659713
Energy: 0.8696861928573874
Energy: 0.8791972056792546
Energy: 0.8669236898997605
Energy: 0.8773533435814089
Energy: 0.9850867628536354
Energy: 0.8758799145648642
Energy: 0.8831445039880581
Energy: 0.8790437800086092
Energy: 0.8679626865096879
Energy: 0.8829824171695042
Energy: 0.9306371312539654
Energy: 0.8752863746713623
Energy: 0.874323081876584
Energy: 0.8775742677370536
Energy: 0.8704704191153243
Energy: 0.8668245721918882
Energy: 0.8937982502267944
Energy: 0.8705893242843683
Energy: 0.868394769146937
Energy: 0.876813275782425
Energy: 0.8720814925410814
Energy: 0.8706371990370104
Energy: 0.8952253311411765
Energy: 0.8824816367240418
Energy: 0.8845097960989239
Energy: 0.8751927025804449
Energy: 0.8825022380668133
Energy: 0.8902462027500424
Energy: 0.8942725877095237
Energy: 0.8786026564036157
Energy: 0.8783080338190188
Energy: 0.8824365524690015
Energy: 1.1770465686427234
Energy: 0.8796063783981839
Energy: 0.9300699646183432
Energy: 0.869930794187105
Energy: 0.8685625651715034
Energy: 0.8831455875494529
Energy: 0.8778229726852415
Energy: 0.8680690981946061
Energy: 0.9653883956722692
Energy: 0.870443405567318
Energy: 0.86718207421137
Energy: 0.8667598076402355
Energy: 0.8685357985228226
Energy: 0.8686070948768944

minimum gb energy = 0.8648639986281671 eV
minimum distance =  2.41523018095172 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 1.443149566353218
Energy: 0.93626738922672
Energy: 1.0273913974217244
Energy: 1.0251700797839705
Energy: 0.9305304411102724
Energy: 1.0271563351503237
Energy: 1.0236144455489757
Energy: 0.9536704893832242
Energy: 0.9530177015811887
Energy: 0.9523313311525368
Energy: 0.9535546169631722
Energy: 0.956755755894294
Energy: 0.9844736797917535
Energy: 0.9232281754383094
Energy: 0.9201342764121129
Energy: 0.9217158997981301
Energy: 0.9230214584928577
Energy: 0.9193771766120974
Energy: 0.9843905505475435
Energy: 0.9202084270157587
Energy: 0.9199541328291653
Energy: 0.9215162232861279
Energy: 0.9206874525977797
Energy: 0.9202460129395515
Energy: 1.0218236630203272
Energy: 0.9589354461769165
Energy: 0.9575870035415479
Energy: 0.9572834458867069
Energy: 0.9543825475032923
Energy: 0.9548812886056642
Energy: 1.0233216909079355
Energy: 0.9406109440687296
Energy: 0.9573615973379966
Energy: 0.9586561910856878
Energy: 0.9435761604130473
Energy: 0.9565748735659496
Energy: 1.0475661991755816
Energy: 0.9540667429304586
Energy: 0.9533594745380181
Energy: 0.9276723954178473
Energy: 0.9536636563275208
Energy: 0.953018463535056

minimum gb energy = 0.9193771766120974 eV
minimum distance =  2.42123940493217 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.3381438643814128
Energy: 1.1355534006567398
Energy: 0.9958822926610632
Energy: 1.1210253208804264
Energy: 1.136657890314691
Energy: 0.9936751883924095
Energy: 1.0562743672177168
Energy: 1.1225654786495778
Energy: 1.0616328524313214
Energy: 1.050045786111247
Energy: 1.0652492683351116
Energy: 1.0591493016734124
Energy: 1.1120876014701382
Energy: 1.0389415105883135
Energy: 1.0568596227447387
Energy: 1.092543466571279
Energy: 1.103179579214855
Energy: 1.0704953901520264
Energy: 1.055544235862439
Energy: 1.067427592321884
Energy: 1.064341411215051
Energy: 1.0493123327215084
Energy: 1.0449718195742579
Energy: 1.0585331922519947
Energy: 1.0283243516489329
Energy: 1.0067249306803843
Energy: 1.0038210405418682
Energy: 1.006778465101807
Energy: 1.0108286157375244
Energy: 0.9993874570656112
Energy: 1.073417923120631
Energy: 1.0053797505232156
Energy: 1.00326206929122
Energy: 1.0312942735108228
Energy: 0.9986188359434328
Energy: 1.0009755745532907
Energy: 1.0809461129134428
Energy: 1.0052133455337766
Energy: 1.0070420734810195
Energy: 1.004805506925866
Energy: 1.0014477878965586
Energy: 1.0152829807292314
Energy: 1.3124427637062372
Energy: 1.0689726158710362
Energy: 1.0830955470189931
Energy: 1.1142088904544647
Energy: 1.0730665573499825
Energy: 1.0931362663728326
Energy: 1.0271223690295526
Energy: 1.1553883561261413
Energy: 1.0523588361192615
Energy: 1.0214025839911507
Energy: 1.0039564012844207
Energy: 1.0523425544163207
Energy: 1.0901222825357804
Energy: 1.104248383560711
Energy: 1.1032160627382868
Energy: 1.1340868584579438
Energy: 1.1085204434384426
Energy: 1.1514688692896362
Energy: 1.0864098613302948
Energy: 0.9936016128282076
Energy: 0.9945527722621093
Energy: 1.001946844302726
Energy: 0.9874516598940474
Energy: 1.002392413582995
Energy: 1.089197367939746
Energy: 1.0067594273164653
Energy: 0.9972121744961921
Energy: 1.0115077153408165
Energy: 1.0041112891722752
Energy: 1.001551096493177
Energy: 1.067201168997432
Energy: 1.0070269995925532
Energy: 0.9993778820735539
Energy: 1.0160700462513548
Energy: 1.0082516337733987
Energy: 1.0027061851290766
Energy: 1.169087522934161
Energy: 1.0357805507671338
Energy: 1.0340484706051623
Energy: 1.0578459208356348
Energy: 1.050385885815842
Energy: 1.057402605386502
Energy: 1.2171302589798623
Energy: 1.0983574518175974
Energy: 1.1006949435226068
Energy: 1.0663025789594387
Energy: 1.092009628684646
Energy: 1.0891840690504655
Energy: 1.1676196954484848
Energy: 1.0687056709599159
Energy: 1.0579617837514126
Energy: 1.0640452314682018
Energy: 1.050539592017851
Energy: 1.058839021235148
Energy: 1.164876819692733
Energy: 1.102080167829923
Energy: 1.122097175789425
Energy: 1.052598521653225
Energy: 1.1068880376407761
Energy: 1.0190868665335375
Energy: 1.276669515629154
Energy: 1.126771301198396
Energy: 1.16869506217375
Energy: 1.0963535890774174
Energy: 1.1257706386555628
Energy: 1.1614304561104178
Energy: 1.2638420072711394
Energy: 1.1255386867925394
Energy: 1.05728737123819
Energy: 1.0756469502511807
Energy: 1.0677879124808474
Energy: 1.074268533726548
Energy: 1.1480406314117966
Energy: 1.150519445020599
Energy: 1.1668389798962813
Energy: 1.0743230171327132
Energy: 1.0983241768112562
Energy: 1.0734361199907645
Energy: 1.042885038830964
Energy: 0.9907360538396243
Energy: 0.9862039129870396
Energy: 0.9935027334697757
Energy: 0.9879470921970577
Energy: 0.9855970944318753
Energy: 1.0417974021468681
Energy: 1.0079148137625287
Energy: 1.0091158883504112
Energy: 0.9896381856890767
Energy: 1.0134574005330694
Energy: 1.0095031654292148
Energy: 1.1206902538867147
Energy: 1.0574695894099646
Energy: 1.0590132223712991
Energy: 0.9910199587972481
Energy: 1.0545390461723572
Energy: 0.9895032373808279
Energy: 1.1231266333413357
Energy: 1.1056621033723708
Energy: 1.1041265951000387
Energy: 1.057883288459971
Energy: 1.1090514040222588
Energy: 1.080303335571915
Energy: 1.032847227859576
Energy: 1.0211190752129975
Energy: 1.0193101282624362
Energy: 1.0181798894091416
Energy: 1.0359027290119156
Energy: 1.0168304039636702
Energy: 1.2190544446378329
Energy: 1.016334750611513
Energy: 1.0206290954092845
Energy: 1.0250552290082133
Energy: 1.0201408708770707
Energy: 1.0266412555789501
Energy: 1.05196334721423
Energy: 1.0290812092914423
Energy: 1.0938822097569822
Energy: 1.0283618898038787
Energy: 1.040257278736173
Energy: 1.0318730126118603
Energy: 1.033021339274821
Energy: 1.0205044113726347
Energy: 1.0227962689345955
Energy: 1.0180591287064806
Energy: 1.0374368492811648
Energy: 1.014114473571175
Energy: 1.1596956294332603
Energy: 1.1045730462089498
Energy: 1.1040620606483231
Energy: 1.1121944283883298
Energy: 1.1018099570190736
Energy: 1.0815217606555383
Energy: 1.2021933226023465
Energy: 1.0135465661336263
Energy: 1.0066888647415644
Energy: 1.1880666526470378
Energy: 0.9713199379558894
Energy: 1.0092896271968037
Energy: 1.1109402435858338
Energy: 1.0611379671430128
Energy: 1.059798585378554
Energy: 1.0453131434191005
Energy: 1.064165938143072
Energy: 1.061215510056294
Energy: 1.0358859646050071
Energy: 1.0204583274495165
Energy: 1.0148771165203143
Energy: 1.013375033087211
Energy: 1.0202430047594095
Energy: 1.011202811140329
Energy: 1.197669586968685
Energy: 1.0209979775604956
Energy: 1.108642577022787
Energy: 1.1023352311231445
Energy: 1.0134318829169293
Energy: 1.0386797687028886
Energy: 1.1318580462161383
Energy: 1.010081306638281
Energy: 1.000027690089874
Energy: 1.0415462140211689
Energy: 1.0072789061111895
Energy: 1.0026981851136239
Energy: 1.1384565711193146
Energy: 1.0376218748164239
Energy: 1.1478833957451808
Energy: 1.0207915558353942
Energy: 1.0393652747930675
Energy: 1.0253684652143074
Energy: 1.1150169721988188
Energy: 1.1003732235990908
Energy: 1.100752172428903
Energy: 0.9985063143275745
Energy: 1.104361971725136
Energy: 1.1478280229807725
Energy: 1.0881606799337302
Energy: 1.0031585821910132
Energy: 1.0007444023649588
Energy: 1.008636360176348
Energy: 1.0009305339417982
Energy: 1.0024964659274709
Energy: 1.114190365627919
Energy: 1.0302514345626916
Energy: 1.0304498582110466
Energy: 1.014826865649255
Energy: 1.029850322434279
Energy: 1.049878484711943
Energy: 1.1819654298325655
Energy: 1.006002852323902
Energy: 1.0114533786553408
Energy: 1.0681309442835574
Energy: 1.0044370101879319
Energy: 1.0008383995859287
Energy: 1.1045930312383285
Energy: 1.0735099352636635
Energy: 1.0628984679564448
Energy: 1.065123978995268
Energy: 1.0841543502138205
Energy: 1.066794641829463
Energy: 1.1696249881278633
Energy: 1.0605274033347203
Energy: 1.0606702012822566
Energy: 1.068340554953338
Energy: 1.0472677246122628
Energy: 1.0603968753477508
Energy: 1.1648119638461554
Energy: 1.0333263886478363
Energy: 1.016146610677318
Energy: 1.0556950549222517
Energy: 1.1275817400685877
Energy: 1.0571412633317443
Energy: 1.3402956319660304
Energy: 1.0510528498974563
Energy: 1.0459765883200436
Energy: 1.1395032041736861
Energy: 1.0969781318416474
Energy: 1.1179758643783941
Energy: 1.2112552638795784
Energy: 1.0600345648607663
Energy: 1.0633702321532705
Energy: 1.1407683190572218
Energy: 1.0480484540554469
Energy: 1.0636115122469156
Energy: 1.2708661447838678
Energy: 1.153607268850232
Energy: 1.0989688551695425
Energy: 1.1293234177732834
Energy: 1.1521758920700036
Energy: 1.1020180415644942
Energy: 1.0333273298791186
Energy: 0.9816483191304557
Energy: 0.9745602342299022
Energy: 0.9791189993653383
Energy: 0.9801344157596271
Energy: 0.973719627191265
Energy: 1.0348743500947892
Energy: 0.9790979017196825
Energy: 0.9796700944782375
Energy: 0.9836108095618105
Energy: 0.9855524530816672
Energy: 0.9801188393962229
Energy: 1.033854732456858
Energy: 0.9784242487720982
Energy: 0.9786628307089474
Energy: 0.9843959563150907
Energy: 0.986623012363358
Energy: 0.9807378358026398
Energy: 1.1197188189304839
Energy: 1.0894199164071638
Energy: 1.0656220376049412
Energy: 1.077898060158419
Energy: 1.0927206411152282
Energy: 1.0506202708503019
Energy: 1.1112788089492014
Energy: 1.0773233569384575
Energy: 1.076467064525186
Energy: 1.0900849997297133
Energy: 1.0754140805830108
Energy: 1.0561537385950535
Energy: 1.0440583133032266
Energy: 1.065424805069564
Energy: 1.1051662726932805
Energy: 1.0333878986206386
Energy: 1.0649172359521362
Energy: 1.0613419328744031

minimum gb energy = 0.9713199379558894 eV
minimum distance =  2.38752499461256 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 2.1159940392679397
Energy: 1.3150522075819469
Energy: 1.0841060687988902
Energy: 1.075661274514262
Energy: 1.3148936248804168
Energy: 1.037091670070615
Energy: 1.0393041541918486
Energy: 0.971291223472839
Energy: 0.9721540971305255
Energy: 1.0190238938279013
Energy: 0.9733471751349052
Energy: 0.9829727587608619
Energy: 1.049415948707849
Energy: 0.9386417920252377
Energy: 0.9386995064557366
Energy: 1.0210744498856559
Energy: 0.9382736900671124
Energy: 1.0295359215501427
Energy: 1.0372480008313865
Energy: 0.9378679986811973
Energy: 0.9768228756566001
Energy: 1.0083988146732616
Energy: 0.939021765510001
Energy: 1.031069818983264
Energy: 1.0486382550270055
Energy: 1.0290523095975872
Energy: 1.0312947185835184
Energy: 1.0312987007069228
Energy: 1.0256350367557294
Energy: 1.0311008239719703
Energy: 1.0764864685113356
Energy: 1.033207758385909
Energy: 1.0326019827046078
Energy: 0.9773211593492389
Energy: 1.0305969346518953
Energy: 1.0317267932667233
Energy: 1.0490393290701088
Energy: 1.023495654048691
Energy: 1.025700745498361
Energy: 1.0278645025436188
Energy: 1.0279483083676793
Energy: 1.0280584005188464
Energy: 1.2645361852453412
Energy: 1.0699780252841398
Energy: 1.0707621029826042
Energy: 1.0586440474958556
Energy: 1.0722882232194921
Energy: 1.068801287360597
Energy: 1.0433478331598725
Energy: 1.0709514043403068
Energy: 1.0776177233095507
Energy: 1.0293779090128354
Energy: 1.0763573160974538
Energy: 1.0287822262189035
Energy: 1.1080888545760053
Energy: 1.0560483773302776
Energy: 1.0546474631354954
Energy: 1.0667794562845079
Energy: 1.0566034086375478
Energy: 1.048785717551534
Energy: 1.0423676593102529
Energy: 1.0263370249380899
Energy: 1.0501519959106431
Energy: 1.032298969494396
Energy: 1.0222550022644208
Energy: 1.03037157072273
Energy: 1.0128957866075776
Energy: 0.9603426553084726
Energy: 0.9564600961372764
Energy: 0.9406997990265917
Energy: 0.9596517974098124
Energy: 0.9553862205745616
Energy: 1.0109504948264427
Energy: 0.9637620277311728
Energy: 0.9581202101379096
Energy: 0.9388139145707544
Energy: 1.09604232091688
Energy: 0.939760878889626
Energy: 1.1143415309105915
Energy: 0.9649202035758018
Energy: 0.9940396275188031
Energy: 0.9667642274594019
Energy: 0.966907638918156
Energy: 0.9923155914349299
Energy: 1.1916256977175796
Energy: 1.0676220693780942
Energy: 1.0061311378416222
Energy: 1.0720799132286483
Energy: 1.0078651043636542
Energy: 0.9979194312861261
Energy: 1.1268001157532188
Energy: 1.0355424052709643
Energy: 1.0361087676303022
Energy: 1.0288931562878205
Energy: 1.0412370272186278
Energy: 1.0360093124724221
Energy: 1.1234618262009124
Energy: 1.0381553018069825
Energy: 1.0308356024129819
Energy: 1.036206900828309
Energy: 1.0334634306801969
Energy: 1.0312060654642172
Energy: 1.242667619217391
Energy: 1.0899071584624018
Energy: 1.0720668676357432
Energy: 1.0810070464118722
Energy: 1.0325746235817213
Energy: 1.071453117070151
Energy: 1.2062699566453936
Energy: 1.0366509664132915
Energy: 1.0600606621349076
Energy: 1.0569911567199095
Energy: 1.0333774767571804
Energy: 1.0467135294916625
Energy: 1.2034505389504169
Energy: 1.0383910970128285
Energy: 1.0541233426106646
Energy: 1.0575044656360322
Energy: 1.0280857379465012
Energy: 1.0537659164219337
Energy: 1.0048389142258989
Energy: 0.9898391945514886
Energy: 0.9673414903170804
Energy: 0.9597781203062256
Energy: 0.9648140437895883
Energy: 0.9674441633497292
Energy: 1.0937889929976483
Energy: 0.9413308845385319
Energy: 0.9414425053221243
Energy: 0.9775183362194
Energy: 0.9421210373149081
Energy: 0.966613997255595
Energy: 1.0947928020983193
Energy: 0.9858250675379839
Energy: 0.9863721112548636
Energy: 0.9668865172204739
Energy: 0.965659067669627
Energy: 0.986858379328824
Energy: 1.1258988516059123
Energy: 1.0721538593148894
Energy: 1.042685107835661
Energy: 1.002994981558302
Energy: 1.0039071225946568
Energy: 1.0434904260197368
Energy: 1.0567266289057342
Energy: 1.039803071953816
Energy: 1.038386726518549
Energy: 1.0400128011446397
Energy: 1.0345205171888356
Energy: 1.0380895415246103
Energy: 1.130504158738721
Energy: 1.0688864994487426
Energy: 1.0683420458042225
Energy: 1.0335676614785225
Energy: 1.0412929387202046
Energy: 1.0679772725911858
Energy: 1.1288526612819023
Energy: 1.0681403100515043
Energy: 1.0677447440612102
Energy: 1.0341491371963143
Energy: 1.0680972175932761
Energy: 1.067706267034457
Energy: 1.0399983484537931
Energy: 1.0249314545518764
Energy: 1.0389572176731994
Energy: 1.0318529669785965
Energy: 1.0201411576635895
Energy: 1.038924936753975
Energy: 1.103257626799421
Energy: 1.05396687288146
Energy: 1.053554378149442
Energy: 1.0823237646547703
Energy: 1.0539094379321738
Energy: 1.0655668219535948
Energy: 1.0805768086059278
Energy: 0.9604565681262055
Energy: 0.9588810088101701
Energy: 0.9651848115198461
Energy: 0.9586248213459333
Energy: 1.0472596168435975
Energy: 1.0152644578398542
Energy: 0.9591437470140954
Energy: 0.9616422185198433
Energy: 0.9401542562873568
Energy: 0.979964021023853
Energy: 0.9399076554252865
Energy: 1.0966527285790677
Energy: 0.9773383762786603
Energy: 0.9769941282132361
Energy: 0.9871157724485716
Energy: 0.9572174766662893
Energy: 0.975498138312198
Energy: 1.122036633504314
Energy: 1.037869134107507
Energy: 1.0330678163991576
Energy: 1.0259105950866538
Energy: 1.0367892724411962
Energy: 1.0336131003871047
Energy: 1.1202475548347375
Energy: 1.028715654211942
Energy: 1.029684468972957
Energy: 1.0232495604052996
Energy: 1.031912607673366
Energy: 1.0300100940633066
Energy: 1.1160586934982522
Energy: 1.0334584254356736
Energy: 1.0308100852383237
Energy: 1.0299803939381516
Energy: 1.0350167842467166
Energy: 1.0425001757164538
Energy: 1.161307765280753
Energy: 1.0339114633257296
Energy: 1.0344267718411833
Energy: 1.1001102748513756
Energy: 1.0322966248019272
Energy: 1.1568438249798738
Energy: 1.2816919293980873
Energy: 1.0290130309718382
Energy: 1.0376885830372502
Energy: 1.1434512606072926
Energy: 1.0233621846500338
Energy: 1.0305115361429378
Energy: 1.1881239699281598
Energy: 1.0439908674034617
Energy: 1.0723207014593588
Energy: 1.0651422933513488
Energy: 1.044011551726991
Energy: 1.066779410747721

minimum gb energy = 0.9378679986811973 eV
minimum distance =  2.38036085947756 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.4416005568495596
Energy: 1.0405554791460754
Energy: 0.9757817769450765
Energy: 1.1259219805316887
Energy: 1.038751845771528
Energy: 1.1895541288475195
Energy: 1.046514509112351
Energy: 0.9441784143583333
Energy: 0.9846618821110139
Energy: 1.0430277717521534
Energy: 0.9443999001674668
Energy: 0.9735049589433601
Energy: 1.0435556916313424
Energy: 1.0030668351277272
Energy: 1.0029296876903337
Energy: 1.0486435538188599
Energy: 1.0025311170277325
Energy: 1.0419788728296797
Energy: 1.0498923278853303
Energy: 1.002136867375616
Energy: 0.9834306960399446
Energy: 1.0435568824793375
Energy: 1.0269981257532927
Energy: 1.0381852504517726
Energy: 0.9922110285563054
Energy: 0.9237218064885279
Energy: 0.9238372218031606
Energy: 0.9251315055910362
Energy: 0.9237953581239602
Energy: 0.9237113715908873
Energy: 0.988508960758643
Energy: 0.9235820738900123
Energy: 0.9237542498648182
Energy: 0.9240496465734829
Energy: 0.9240131994639202
Energy: 0.9236988299434078
Energy: 0.9869927721184932
Energy: 0.92431282839494
Energy: 0.9250833544191571
Energy: 0.926406235200174
Energy: 0.9261170655717834
Energy: 0.9256153761210406
Energy: 1.098977515410325
Energy: 1.0542848147669965
Energy: 1.0460106352467982
Energy: 1.0024563675004754
Energy: 1.0518367252660423
Energy: 1.0712421589236083
Energy: 0.9878437865145675
Energy: 1.0504513361426782
Energy: 1.03817862983968
Energy: 0.9518810439995784
Energy: 1.0435455223682106
Energy: 1.0468827666832885
Energy: 1.2179207138917614
Energy: 1.0648252165444798
Energy: 1.068522113556101
Energy: 1.0211941038085321
Energy: 1.0474819573531904
Energy: 1.0688444879769843
Energy: 0.9932619530227841
Energy: 1.0585342280704817
Energy: 1.0319062756973736
Energy: 0.9461415206894033
Energy: 1.0726860691450975
Energy: 0.9441123276541259
Energy: 1.1376269259485288
Energy: 1.0395274273702648
Energy: 1.0381410202917714
Energy: 0.9521148225678253
Energy: 1.048635689277529
Energy: 1.0396092438674913
Energy: 1.1371183932518591
Energy: 1.0445515932715164
Energy: 1.0708800504189893
Energy: 1.0355314453316748
Energy: 1.0476600148608146
Energy: 1.0712852458328355
Energy: 0.9904318087791432
Energy: 0.9459129936744031
Energy: 0.9451416302811361
Energy: 0.9442596586962676
Energy: 0.944228721930801
Energy: 0.9451098553569413
Energy: 0.9875419706445641
Energy: 0.9484026433281205
Energy: 0.9450173430954809
Energy: 0.9454309293707206
Energy: 0.9252099449788155
Energy: 0.9447290864838059
Energy: 0.9849508174847171
Energy: 0.9256898519107476
Energy: 0.9302431784012958
Energy: 0.950574126715702
Energy: 0.9252261847440568
Energy: 0.9514033461645313
Energy: 1.0123595607408706
Energy: 0.983675677603812
Energy: 0.9940094898189417
Energy: 0.9942383819957851
Energy: 0.9509954549090144
Energy: 0.9813649172648625
Energy: 1.0152047326536524
Energy: 0.9917440984222323
Energy: 0.9910380540887447
Energy: 0.9927518135487907
Energy: 0.9902210553060777
Energy: 0.9914392736932952
Energy: 1.205240185466923
Energy: 0.9906799345827584
Energy: 0.9831203281929025
Energy: 1.0727210232825437
Energy: 0.9953883977081865
Energy: 1.049291184835896
Energy: 1.1843409910208778
Energy: 0.9933056699508377
Energy: 0.9934325415349868
Energy: 1.0681351133158488
Energy: 0.9868838543255526
Energy: 1.0429684932662173
Energy: 1.0171150520320438
Energy: 0.9873010061451943
Energy: 0.9904880335748765
Energy: 0.9916743386938386
Energy: 0.9629544606482683
Energy: 0.9935308584133842
Energy: 1.0858992951481963
Energy: 1.1036872159970268
Energy: 1.1404463632087563
Energy: 0.9904626836701439
Energy: 1.046164715369294
Energy: 1.1801181477785352
Energy: 1.150647474064017
Energy: 0.9876144238426148
Energy: 0.988532596846543
Energy: 0.9758285153773166
Energy: 0.9855002109091598
Energy: 0.9884991809795987
Energy: 1.0653740579423596
Energy: 0.9946646749083682
Energy: 0.9945147190797782
Energy: 0.9635470395461608
Energy: 0.9936774584513021
Energy: 0.9952032758584715
Energy: 1.1522102199541548
Energy: 0.9942842169319035
Energy: 0.9917664419054093
Energy: 0.9761665287611384
Energy: 0.9944295788527346
Energy: 0.9931906364351023
Energy: 1.0333793901498378
Energy: 0.9456179781174995
Energy: 0.9456504837344113
Energy: 0.9437130543337282
Energy: 0.9475615402792081
Energy: 0.9454548250521895
Energy: 1.031784701230653
Energy: 0.9448140100225089
Energy: 0.9445298089368268
Energy: 0.9427867568345468
Energy: 0.9444238701661837
Energy: 0.9443056859358885
Energy: 1.028198990587265
Energy: 0.9448567677641627
Energy: 0.9482359753088269
Energy: 0.9448605203338339
Energy: 0.9449150421898556
Energy: 0.9434029761169307
Energy: 1.071834783227381
Energy: 1.0535078143798924
Energy: 1.0467639687912331
Energy: 1.0908231891045477
Energy: 1.0048495597354945
Energy: 0.991754355543443
Energy: 1.0458236155194045
Energy: 0.9458140083013619
Energy: 0.9449719008268083
Energy: 1.0455765473531415
Energy: 0.9442510859102751
Energy: 1.0525323636339565
Energy: 1.2164978828404782
Energy: 0.9893446174846008
Energy: 1.018611222262665
Energy: 1.110723509636152
Energy: 0.9882186396535484
Energy: 1.0215670714111853

minimum gb energy = 0.9235820738900123 eV
minimum distance =  2.3940917259287 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.2875995510204974
Energy: 1.2438737799285522
Energy: 1.1640667221262444
Energy: 0.9415782745653505
Energy: 1.1710418079352214
Energy: 1.16685051751798
Energy: 1.002699069798384
Energy: 0.9055469839906531
Energy: 0.9042253823518648
Energy: 0.903352939443565
Energy: 0.9031572579611623
Energy: 0.903758892710208
Energy: 1.0117244864558026
Energy: 0.9115608155164117
Energy: 0.9105584022917976
Energy: 0.9909039266901426
Energy: 0.9117458096071941
Energy: 0.9100759386557865
Energy: 1.0636487237087664
Energy: 0.9106126814034649
Energy: 0.9093925733462834
Energy: 0.9026738290141091
Energy: 0.9079420951350587
Energy: 0.9052149078993647
Energy: 0.9678923174613902
Energy: 0.9084875708667075
Energy: 0.9094022705541642
Energy: 0.9039480946795292
Energy: 0.9091082099306584
Energy: 0.9095215173730986
Energy: 0.9455271671257239
Energy: 0.9012699824704148
Energy: 0.9013678914698382
Energy: 0.9016855508666997
Energy: 0.9016279173594641
Energy: 0.9089080733429237
Energy: 1.0994531063321689
Energy: 0.9034367485294144
Energy: 0.9042400387230257
Energy: 0.9031595755895373
Energy: 0.9031640288114575
Energy: 0.9244993144384924
Energy: 0.9703950409927563
Energy: 0.9987129746219984
Energy: 1.0006885929492384
Energy: 0.9168126327954204
Energy: 1.006357259763368
Energy: 1.0077034164765177
Energy: 1.0982207579783945
Energy: 0.9817838641941695
Energy: 0.983683983080416
Energy: 0.9130102007244064
Energy: 0.9870697175898128
Energy: 0.9053817527618384
Energy: 1.3030115571596883
Energy: 1.0150508415715176
Energy: 1.0085392176049353
Energy: 1.1011611437859825
Energy: 1.0120396457159073
Energy: 1.0377860751041796
Energy: 1.0114088230114606
Energy: 0.9311191722233877
Energy: 0.9026463883381961
Energy: 0.9897836078173589
Energy: 0.9264044315500755
Energy: 0.9856793986898319
Energy: 0.9427419746074803
Energy: 0.9971993511631623
Energy: 0.9861876697480874
Energy: 0.9053198803161306
Energy: 0.9884238621246589
Energy: 1.0283569165527242
Energy: 0.9410051632015699
Energy: 1.0076048428392792
Energy: 1.0741501706228922
Energy: 1.0951399751635544
Energy: 1.0057479736806256
Energy: 1.0950598211576335
Energy: 1.0083837066510162
Energy: 0.9079752845813154
Energy: 0.904533209730967
Energy: 1.0011443516350262
Energy: 0.9115904034422996
Energy: 0.9039683108253599
Energy: 1.032334596094938
Energy: 0.9080700353546752
Energy: 0.9064984362295573
Energy: 1.0103540008946557
Energy: 0.9014654464818463
Energy: 0.9079274206358772
Energy: 1.065181559059247
Energy: 0.9051981674448568
Energy: 0.9033132688280141
Energy: 0.9091159830706144
Energy: 0.9037053387320902
Energy: 0.90423080675167
Energy: 0.9716917287423427
Energy: 0.9097952106598789
Energy: 0.9092464635090721
Energy: 0.9020683492163346
Energy: 0.9013176178415268
Energy: 0.9014091398700296
Energy: 0.9709387965812819
Energy: 0.9091362300596023
Energy: 0.9093556597775919
Energy: 0.902583924928538
Energy: 0.9013810706099145
Energy: 0.9093957033589347
Energy: 1.103216146223253
Energy: 1.007040775012106
Energy: 1.0014745698060181
Energy: 0.9099131243343331
Energy: 0.9910544288176852
Energy: 0.9854366382366134
Energy: 1.1009904322597222
Energy: 0.9996839208343199
Energy: 1.0009033506514444
Energy: 0.9039835936740714
Energy: 1.0068887128186534
Energy: 0.9871617410034749
Energy: 1.0941712885360277
Energy: 1.0022299371065178
Energy: 0.9064404905240642
Energy: 0.9025662219922173
Energy: 1.000453735227379
Energy: 0.9037753856551923
Energy: 1.1354083710349265
Energy: 1.011158560231025
Energy: 1.0640815592801387
Energy: 1.0721379573146128
Energy: 1.01595359711785
Energy: 1.075178516090342
Energy: 1.0071216782982109
Energy: 0.9850922077651485
Energy: 0.9091586681967434
Energy: 0.986438672668828
Energy: 1.000856646471053
Energy: 0.9043860299257315
Energy: 0.940519092339119
Energy: 1.0087844380782758
Energy: 1.0930332898590795
Energy: 1.095060218124177
Energy: 1.0074306328271572
Energy: 1.0950271465649761

minimum gb energy = 0.9012699824704148 eV
minimum distance =  2.39619738996233 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.3508896750307424
Energy: 1.1316589591286939
Energy: 1.0173249181236435
Energy: 0.8699193760644226
Energy: 1.2198165201153166
Energy: 0.8731091436349304
Energy: 1.1630557424814554
Energy: 0.8793734761843974
Energy: 0.879607487548403
Energy: 1.0571756405317259
Energy: 1.0180353076568462
Energy: 0.8803983825534704
Energy: 1.0813033626320698
Energy: 0.848615491171847
Energy: 0.8465700151153738
Energy: 0.901843597564214
Energy: 0.850710203858661
Energy: 0.8450511424420847
Energy: 1.0964644414292957
Energy: 0.8493755811167157
Energy: 0.8477696831220126
Energy: 1.018034639455874
Energy: 0.8493544460995754
Energy: 0.8817683098911886
Energy: 1.0374328660827379
Energy: 0.8215926801621383
Energy: 0.8215606831215541
Energy: 0.8246869019231454
Energy: 0.8219163744268031
Energy: 0.8227523599981702
Energy: 0.9537362146923635
Energy: 0.8305913404999317
Energy: 0.8303698017554059
Energy: 0.8121850664172302
Energy: 0.830690521625611
Energy: 0.8098411058841771
Energy: 0.9957594791771871
Energy: 0.8057839761092414
Energy: 0.8034814834263869
Energy: 0.8115186452668292
Energy: 0.8694102294551782
Energy: 0.8067175788335866
Energy: 0.9237302966353508
Energy: 0.8034336512824082
Energy: 0.8036605070375646
Energy: 0.8040211192659797
Energy: 0.8049033021732991
Energy: 0.8053414090702413
Energy: 0.8914849389842854
Energy: 0.8078448379398823
Energy: 0.8079450809219579
Energy: 0.8674779408986857
Energy: 0.8037554692085868
Energy: 0.8077800014266137
Energy: 0.9219890505266957
Energy: 0.8313479125988869
Energy: 0.8311444548385941
Energy: 0.8236736191325482
Energy: 0.8313750517356429
Energy: 0.830901668353951
Energy: 0.9920978337761591
Energy: 0.8244868940106587
Energy: 0.8227866644687806
Energy: 0.8223129438494683
Energy: 0.824026681563139
Energy: 0.8219280288693159
Energy: 1.088186885760499
Energy: 0.8797441113728198
Energy: 0.8789076654107572
Energy: 0.8350330860142975
Energy: 1.018476975789113
Energy: 0.8818180260570307
Energy: 1.0896839664813471
Energy: 0.901736320524633
Energy: 0.9017245807924236
Energy: 0.8364825157142933
Energy: 0.9019476969168748
Energy: 0.9014384038840684
Energy: 1.126054241882169
Energy: 0.9097623651944802
Energy: 0.8583826736495479
Energy: 1.0518072647032026
Energy: 0.9056444235335175
Energy: 0.85757064434088
Energy: 1.0851947937440982
Energy: 0.9690795124495413
Energy: 0.9464600790595037
Energy: 0.9084502001928587
Energy: 1.0002765845846944
Energy: 0.9466174523899679
Energy: 1.163981096869148
Energy: 0.8809424799147983
Energy: 0.8825910973929136
Energy: 0.9005774377654909
Energy: 0.9095392151761993
Energy: 0.8793742104671138
Energy: 1.148791167725415
Energy: 0.9015186538584482
Energy: 0.981040258140499
Energy: 0.8641931742320983
Energy: 0.9018592278713071
Energy: 0.954795461864234

minimum gb energy = 0.8034336512824082 eV
minimum distance =  2.38678939157905 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.9380869242953074
Energy: 0.9986467891451155
Energy: 0.8573001638743261
Energy: 0.7982126203626663
Energy: 0.9975580047014873
Energy: 0.7934835397389066
Energy: 1.1982725032051764
Energy: 0.7917988412354806
Energy: 0.7951516575740059
Energy: 0.8347738378708515
Energy: 0.8347470654312839
Energy: 0.7991260096320875
Energy: 1.270395592928821
Energy: 0.7453183726517318
Energy: 0.7823649513323907
Energy: 0.8260903947435362
Energy: 0.7460325515401507
Energy: 0.780937113824634
Energy: 1.0806488013212943
Energy: 0.7828367457355054
Energy: 0.7820509432628173
Energy: 0.8270986568251018
Energy: 0.7376952485551945
Energy: 0.7806169631640751
Energy: 0.9777078463203287
Energy: 0.7571736848276907
Energy: 0.7578327146754097
Energy: 0.7744455257031769
Energy: 0.7573323453356892
Energy: 0.7582556724385642
Energy: 0.9070361532518935
Energy: 0.7562171119326921
Energy: 0.7369629890544597
Energy: 0.7411500392500734
Energy: 0.7563771293297378
Energy: 0.7381484215140487
Energy: 0.9230061040365622
Energy: 0.7590142463816935
Energy: 0.7352514060246196
Energy: 0.7384526942404167
Energy: 0.7647763468439015
Energy: 0.7348326576516201
Energy: 0.9156939749990964
Energy: 0.7241894573569498
Energy: 0.7289761001198175
Energy: 0.7354043990234271
Energy: 0.7257466401376775
Energy: 0.7328326574092324
Energy: 0.940755780205167
Energy: 0.730988948096341
Energy: 0.7308002014469074
Energy: 0.9414513298580048
Energy: 0.7387342625790421
Energy: 0.7380558265349912
Energy: 0.9280034675635328
Energy: 0.7348995344912559
Energy: 0.7354078858207617
Energy: 0.7525523457994431
Energy: 0.735126308044947
Energy: 0.735185390109476
Energy: 0.8346202757326708
Energy: 0.7310843513078834
Energy: 0.7332455580531757
Energy: 0.7325494377325209
Energy: 0.749240431066108
Energy: 0.7334247563316929
Energy: 0.9304454846711481
Energy: 0.7393379826261463
Energy: 0.7297495301205706
Energy: 0.7400889692364016
Energy: 0.8460040749026257
Energy: 0.7305764685571237
Energy: 0.8788776188254203
Energy: 0.7284934313955621
Energy: 0.7282719458545136
Energy: 0.7313002175521659
Energy: 0.7367258773411192
Energy: 0.7286505462681754
Energy: 0.9641630789251469
Energy: 0.7346770256056645
Energy: 0.7346406422282877
Energy: 0.76279079615356
Energy: 0.7361640916272704
Energy: 0.7349128949136814
Energy: 0.96318453481861
Energy: 0.7457114114772032
Energy: 0.7454285427587537
Energy: 0.7568983514774935
Energy: 0.7457868245534901
Energy: 0.7581840325637788
Energy: 0.962301652754619
Energy: 0.7574179706658383
Energy: 0.7584040514357743
Energy: 0.7592824136963827
Energy: 0.8323399517398552
Energy: 0.75888977635694
Energy: 0.9401636101911156
Energy: 0.8277618865940739
Energy: 0.8337079927269454
Energy: 0.7657227326594017
Energy: 0.8271365594131862
Energy: 0.7644957492652525
Energy: 0.9783988639364284
Energy: 0.8269795368917405
Energy: 0.8273184314664251
Energy: 0.7628825089883927
Energy: 0.8265316823787638
Energy: 0.7641373620571819
Energy: 1.097874270483206
Energy: 0.8353160043403132
Energy: 0.7988054790795724
Energy: 0.8281082830895411
Energy: 0.7628708181859121
Energy: 0.7593855260893145
Energy: 1.1740908245362254
Energy: 0.7955411940881009
Energy: 0.7950123109615862
Energy: 0.8410846183623625
Energy: 0.7964523456301896
Energy: 0.8709653393073132
Energy: 1.104418991598156
Energy: 0.8356848206240091
Energy: 0.7986063218708152
Energy: 0.8383254901685624
Energy: 0.8361607128971171
Energy: 0.7980121928135008
Energy: 0.9385616318519588
Energy: 0.8705236061464067
Energy: 0.8767328124490128
Energy: 0.7931212192883461
Energy: 0.8706758522344507
Energy: 0.791026165502447
Energy: 1.0692200191780885
Energy: 0.8358221809558664
Energy: 0.7944375247624482
Energy: 0.792552451749671
Energy: 0.8275233924963169
Energy: 0.8103428273168926
Energy: 1.1053446803805083
Energy: 0.768710847523885
Energy: 0.7941206587961037
Energy: 0.8267059869224415
Energy: 0.7522694343144982
Energy: 0.8278304728749207
Energy: 1.0793355921156305
Energy: 0.7460375318196744
Energy: 0.78229564076244
Energy: 0.8271298644329895
Energy: 0.7472627154920316
Energy: 0.781238211556588
Energy: 1.0826355143759145
Energy: 0.7642850115795999
Energy: 0.7645200056723778
Energy: 0.7937767103728154
Energy: 0.7647440882858184
Energy: 0.7639433370133665
Energy: 0.9077673763812535
Energy: 0.7577312516719117
Energy: 0.7581235757128113
Energy: 0.7404444774096521
Energy: 0.7580490144396212
Energy: 0.7637859573421908
Energy: 0.9251200973308926
Energy: 0.7579523156746089
Energy: 0.7695086619475743
Energy: 0.7733594846019268
Energy: 0.7610325870963922
Energy: 0.7609056779546424
Energy: 0.9121717257364375
Energy: 0.7312575673452857
Energy: 0.7311681363853989
Energy: 0.7312133588257645
Energy: 0.731602327089655
Energy: 0.7305799769166706
Energy: 0.932511421692881
Energy: 0.7245057354477022
Energy: 0.7295597663321441
Energy: 0.8404942100526397
Energy: 0.7256168299113441
Energy: 0.7290584311540128
Energy: 0.9360454749846301
Energy: 0.7275561129019944
Energy: 0.72877441290348
Energy: 0.9368151400811969
Energy: 0.7272759486789093
Energy: 0.7287741550604043
Energy: 0.8387838042115777
Energy: 0.7285626043600487
Energy: 0.7298452106725434
Energy: 0.7323017344079277
Energy: 0.7292265136551499
Energy: 0.7303575122047498
Energy: 0.9313881320162318
Energy: 0.845170704818865
Energy: 0.8439055676193141
Energy: 0.7273756440462608
Energy: 0.8447881814943565
Energy: 0.8395632340253224
Energy: 0.8768427545382977
Energy: 0.7347078775277697
Energy: 0.7348084260600425
Energy: 0.7332999381299851
Energy: 0.7386883675801207
Energy: 0.7352249410608859
Energy: 0.9666412218860728
Energy: 0.7346225256764871
Energy: 0.7351057181606696
Energy: 0.8633716879347161
Energy: 0.7340156405104036
Energy: 0.7344307019450177
Energy: 0.9635600096395365
Energy: 0.7359413958193981
Energy: 0.7581574371705765
Energy: 0.7566668266382269
Energy: 0.7363244477155144
Energy: 0.7571956895700088
Energy: 0.8671241906454722
Energy: 0.7587463721875207
Energy: 0.7576520851028206
Energy: 0.756363372761801
Energy: 0.759349899035903
Energy: 0.7567135509234438
Energy: 0.9330409959221218
Energy: 0.8271606667475436
Energy: 0.7947615644190135
Energy: 0.7574137808933086
Energy: 0.8271056594904049
Energy: 0.7660359886003675
Energy: 0.9223061290444902
Energy: 0.8272259154019548
Energy: 0.795901622435394
Energy: 0.7671979584028116
Energy: 0.8261225804201227
Energy: 0.7951170675362719
Energy: 1.0929241012104458
Energy: 0.8378911381537478
Energy: 0.834777190194345
Energy: 0.7646996396657469
Energy: 0.8376895893243756
Energy: 0.7980739453651167
Energy: 1.2011271520448308
Energy: 0.7747839248481678
Energy: 0.8759149282950677
Energy: 0.8708334460771823
Energy: 0.7751686163965907
Energy: 0.8682980713634911
Energy: 1.1832051753910073
Energy: 0.8213423072417907
Energy: 0.8016580655883995
Energy: 0.8262301334761666
Energy: 0.779045461437073
Energy: 0.8277644639151531
Energy: 1.069305155431642
Energy: 0.8265488801731318
Energy: 0.8271303360454125
Energy: 0.8309174515942681
Energy: 0.825916847003761
Energy: 0.8501558500928821

minimum gb energy = 0.7241894573569498 eV
minimum distance =  2.39199427739606 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.8589903447398997
Energy: 0.994210883041513
Energy: 0.7863520529895166
Energy: 0.7003793893315647
Energy: 0.9949336191679395
Energy: 0.7871051452183622
Energy: 1.1127251180810158
Energy: 0.70944360584809
Energy: 0.7089590321737558
Energy: 0.7647810691770522
Energy: 0.768848021524272
Energy: 0.7367497318278622
Energy: 1.2044042816981257
Energy: 0.6854830054300576
Energy: 0.6852477066575766
Energy: 0.7587914167804556
Energy: 0.6851503510460476
Energy: 0.7202950999197055
Energy: 1.0164199552635165
Energy: 0.685156839756882
Energy: 0.7209912222147424
Energy: 0.7594923773128551
Energy: 0.6814932163457124
Energy: 0.7208433189635629
Energy: 0.9087870668537201
Energy: 0.7111333171938583
Energy: 0.7105813596076775
Energy: 0.7120743391488357
Energy: 0.7110529640171199
Energy: 0.6998555915841366
Energy: 0.8468274938450636
Energy: 0.6979255528463737
Energy: 0.6808450755658638
Energy: 0.671890994564161
Energy: 0.6979704130916202
Energy: 0.6822168415417623
Energy: 0.8683394249223467
Energy: 0.71087141735556
Energy: 0.795017162172352
Energy: 0.6749973424425785
Energy: 0.7082889153796282
Energy: 0.6740324413990816
Energy: 0.8689117197658889
Energy: 0.6641497152450863
Energy: 0.6645871784287682
Energy: 0.6803714150204283
Energy: 0.6632569147722298
Energy: 0.6710566070289496
Energy: 0.8718694018336192
Energy: 0.674497680724344
Energy: 0.6718783679127932
Energy: 0.777268158198506
Energy: 0.6691366754512884
Energy: 0.682812016465034
Energy: 0.8742340884483052
Energy: 0.6635070696830683
Energy: 0.6630189126354079
Energy: 0.7633137402833896
Energy: 0.6634740900839006
Energy: 0.6628709242950159
Energy: 0.8557581321454893
Energy: 0.6573030534312275
Energy: 0.6572771684713633
Energy: 0.6581310997094338
Energy: 0.6581754194821553
Energy: 0.6574075419731806
Energy: 0.8714482217165337
Energy: 0.8311528454676644
Energy: 0.6671773857479697
Energy: 0.6644046036866338
Energy: 0.8566964301122748
Energy: 0.6671894483301918
Energy: 0.8597347141728376
Energy: 0.7728296142727686
Energy: 0.7713985160713656
Energy: 0.6585044304707748
Energy: 0.7723336264283843
Energy: 0.6715546116667211
Energy: 0.852236688032892
Energy: 0.6635526747321466
Energy: 0.6636045447146474
Energy: 0.853532697220376
Energy: 0.6632654528480123
Energy: 0.8355370773322556
Energy: 0.851489263907372
Energy: 0.6598683472878276
Energy: 0.6583725160920407
Energy: 0.7264933732414046
Energy: 0.6594278117835924
Energy: 0.6571931560780226
Energy: 0.8853078270039549
Energy: 0.6838702963612944
Energy: 0.6674538129368256
Energy: 0.6664231048070873
Energy: 0.7675356365840676
Energy: 0.6681054892480055
Energy: 0.8534380489208929
Energy: 0.6691218852699433
Energy: 0.6700650903834123
Energy: 0.6607635967572167
Energy: 0.6794476647461626
Energy: 0.6707130627087258
Energy: 0.8340417175540946
Energy: 0.6699070528761553
Energy: 0.670255177170586
Energy: 0.6994109673736024
Energy: 0.6703579878381533
Energy: 0.6712720562415477
Energy: 0.9102827728487533
Energy: 0.6757712582431802
Energy: 0.6757503797715604
Energy: 0.7112998502123113
Energy: 0.6826326763807511
Energy: 0.7108738044641708
Energy: 0.911153171850255
Energy: 0.6905328323063438
Energy: 0.6779749425196079
Energy: 0.7074153242344297
Energy: 0.672424389046728
Energy: 0.7095664752016022
Energy: 1.0300942153672374
Energy: 0.7089484064221652
Energy: 0.7065986960633265
Energy: 0.7078189507439246
Energy: 0.7082550689526591
Energy: 0.7074661663382038
Energy: 0.8524945958799047
Energy: 0.7595909528593221
Energy: 0.7028138898444771
Energy: 0.6777904720840942
Energy: 0.7587915300434891
Energy: 0.7034344852273328
Energy: 0.925788503452775
Energy: 0.7588272136628523
Energy: 0.7588648811454218
Energy: 0.7205483628443164
Energy: 0.7592363860128442
Energy: 0.7592677656989789
Energy: 1.1134246678133728
Energy: 0.7086827920159219
Energy: 0.6986769332635805
Energy: 0.713218595067646
Energy: 0.7156418341924788
Energy: 0.6998771385227057
Energy: 1.1832123097682998
Energy: 0.7126803416978672
Energy: 0.7302198454663595
Energy: 0.7803716143179151
Energy: 0.7103914142616314
Energy: 0.8060434725786152
Energy: 1.2118202287621218
Energy: 0.7671783449387574
Energy: 0.7619723674862129
Energy: 0.767165448145792
Energy: 0.7664534439723896
Energy: 0.7377167864716819
Energy: 0.8567937247246981
Energy: 0.7798652909762698
Energy: 0.7533353887636621
Energy: 0.6911999623049028
Energy: 0.7800148264353902
Energy: 0.7526570713121353

minimum gb energy = 0.6571931560780226 eV
minimum distance =  2.39928298754623 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.7151859079426176
Energy: 0.7597520516586741
Energy: 0.6883318596620568
Energy: 0.5919133742243352
Energy: 0.7694360013515278
Energy: 0.6590233279537243
Energy: 0.9973335410128927
Energy: 0.5689090028032583
Energy: 0.5699727852474304
Energy: 0.6112956030755728
Energy: 0.5682229306922087
Energy: 0.5718414959489481
Energy: 1.004330448748819
Energy: 0.5690003704397003
Energy: 0.5789557614920507
Energy: 0.6096317508055135
Energy: 0.5684588212344063
Energy: 0.5784614084947263
Energy: 0.8767785429659262
Energy: 0.5788516701299172
Energy: 0.5787602460161168
Energy: 0.5690541348703743
Energy: 0.6987297737935871
Energy: 0.5927120955247243
Energy: 0.7868344582650376
Energy: 0.5692009049905211
Energy: 0.5702552074924003
Energy: 0.5740642349520017
Energy: 0.5689689852338556
Energy: 0.5713100752815455
Energy: 0.6982343465348774
Energy: 0.5710572629468981
Energy: 0.5646042822085631
Energy: 0.6253771587557924
Energy: 0.5701117728120373
Energy: 0.5586210681872941
Energy: 0.874149751492296
Energy: 0.5709179270321822
Energy: 0.5699330615452574
Energy: 0.5547501410758673
Energy: 0.5696108781622174
Energy: 0.5524962254057796
Energy: 0.8734268207208654
Energy: 0.547515612434287
Energy: 0.5480119233717005
Energy: 0.6492859758932377
Energy: 0.5468385664851552
Energy: 0.5941954579152283
Energy: 0.7435169851028197
Energy: 0.550523631510465
Energy: 0.5527407275225045
Energy: 0.6236089525322399
Energy: 0.557756159455861
Energy: 0.6211368846609887
Energy: 0.7408717677057077
Energy: 0.5451058123961826
Energy: 0.5444251552952778
Energy: 0.5523374313494014
Energy: 0.5448467748343648
Energy: 0.5435628203399653
Energy: 0.6936133939417064
Energy: 0.5807239907139758
Energy: 0.538416922822942
Energy: 0.5413521564611726
Energy: 0.5835926890557521
Energy: 0.5376742930191727
Energy: 0.7453446710241688
Energy: 0.6732081752728629
Energy: 0.5395125211694133
Energy: 0.5422076521394862
Energy: 0.6051061091878442
Energy: 0.5416382529696043
Energy: 0.7439661079972933
Energy: 0.6087009136254206
Energy: 0.6132891477707313
Energy: 0.5445825916856728
Energy: 0.6040951395834012
Energy: 0.6101387223153998
Energy: 0.7023276881809225
Energy: 0.5978231280110516
Energy: 0.6557492198410003
Energy: 0.6585042463290541
Energy: 0.6044885364131583
Energy: 0.6608645336204229
Energy: 0.7017118105554563
Energy: 0.5387565749968046
Energy: 0.5387917421836348
Energy: 0.6568430257432426
Energy: 0.5384473451531393
Energy: 0.5354263964704535
Energy: 0.6978573713385313
Energy: 0.6387472724772965
Energy: 0.5325369005040755
Energy: 0.5338032906226815
Energy: 0.6696887298962803
Energy: 0.5320985171711777
Energy: 0.7061032708072998
Energy: 0.6595734256943381
Energy: 0.5752094279319367
Energy: 0.5376136455393525
Energy: 0.6541469621365158
Energy: 0.5367136786304705
Energy: 0.696141967973746
Energy: 0.6021640706476836
Energy: 0.5407884586519353
Energy: 0.5741218129089819
Energy: 0.6029719685174857
Energy: 0.537933627343744
Energy: 0.6960746081238556
Energy: 0.5990100639308911
Energy: 0.6488652513823208
Energy: 0.6520295140040773
Energy: 0.5984937740539228
Energy: 0.6533424008876381
Energy: 0.6952126599920432
Energy: 0.5993861335872341
Energy: 0.5462279443051974
Energy: 0.5451902802187509
Energy: 0.5997796817057055
Energy: 0.545936283204262
Energy: 0.7205674695841159
Energy: 0.5724240258636127
Energy: 0.5455440108146203
Energy: 0.5427588621801646
Energy: 0.6632854249090823
Energy: 0.5424208736241006
Energy: 0.7002278655768697
Energy: 0.6114237883744408
Energy: 0.5332329231240939
Energy: 0.5351682165298046
Energy: 0.6684937043597243
Energy: 0.5330123315439873
Energy: 0.717269001870148
Energy: 0.5393530951678077
Energy: 0.5395956455807197
Energy: 0.606348396523854
Energy: 0.5341425284542658
Energy: 0.539437855670505
Energy: 0.7171994277777906
Energy: 0.6091961342339524
Energy: 0.671305739948331
Energy: 0.6054140307550316
Energy: 0.547601349171094
Energy: 0.6728461675047918
Energy: 0.7816703168113259
Energy: 0.6120128030136142
Energy: 0.6215902239784213
Energy: 0.5427728798641207
Energy: 0.611782598154639
Energy: 0.6221074582330312
Energy: 0.7827958426413487
Energy: 0.6253930519110674
Energy: 0.5544823062761336
Energy: 0.5396041431806197
Energy: 0.5507644811185199
Energy: 0.5388157291975079
Energy: 0.6962316667397614
Energy: 0.5497394748960004
Energy: 0.5501550982645159
Energy: 0.547871546815864
Energy: 0.5520673133153714
Energy: 0.5473331676704726
Energy: 0.7795863615377163
Energy: 0.550315014024439
Energy: 0.550703189909075
Energy: 0.5719195940621548
Energy: 0.5498428772157965
Energy: 0.5509214418963556
Energy: 0.7819476483628053
Energy: 0.5638016613670007
Energy: 0.5692253439768177
Energy: 0.5681700675541754
Energy: 0.5649922499927394
Energy: 0.5686908539436398
Energy: 0.9515770704493787
Energy: 0.5589903488786672
Energy: 0.5636230866439025
Energy: 0.6220197499756249
Energy: 0.5574508828806077
Energy: 0.6049086700555981
Energy: 0.9475682210073805
Energy: 0.5736735684722425
Energy: 0.5732003700858084
Energy: 0.5737297394681837
Energy: 0.5733849278022841
Energy: 0.568792809408278
Energy: 0.7057011180996808
Energy: 0.6080733136808741
Energy: 0.5869802369462958
Energy: 0.6087250881742139
Energy: 0.6085409232651675
Energy: 0.621822087992976
Energy: 0.8024329222826526
Energy: 0.6115860545594223
Energy: 0.6114934390129825
Energy: 0.5906797777252623
Energy: 0.6114033454605339
Energy: 0.6663069246498324
Energy: 0.9523088491118057
Energy: 0.6025442554908501
Energy: 0.602529524247017
Energy: 0.5982832801981267
Energy: 0.7201910201089896
Energy: 0.628665132642779
Energy: 1.0021440354544346
Energy: 0.5872790488920877
Energy: 0.6034613051254105
Energy: 0.6436639132888923
Energy: 0.6519736300176753
Energy: 0.6033946817334889
Energy: 0.9974604912948641
Energy: 0.6119035508076894
Energy: 0.6116240446693274
Energy: 0.6112706730364262
Energy: 0.6114224726213069
Energy: 0.571189077563701

minimum gb energy = 0.5320985171711777 eV
minimum distance =  2.41604382903035 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.016237043703136392
Energy: 0.055414144245595265
Energy: 0.01692838516806347
Energy: 0.019131723717485477
Energy: 0.018753901551489306
Energy: 0.017205656688050498
Energy: 0.05737359086707505
Energy: 0.017134920876512767
Energy: 0.01741200808657556
Energy: 0.057110541330427735
Energy: 0.019087924033959716
Energy: 0.017595200142775397
Energy: 0.05586479518681153
Energy: 0.01712449684197391
Energy: 0.01681607665634629
Energy: 0.055863963515030306
Energy: 0.016887003363030725
Energy: 0.05666606297892477
Energy: 0.01913535291637314
Energy: 0.017005990387210325
Energy: 0.016950935011542052
Energy: 0.0192679704659112
Energy: 0.016970350884840855
Energy: 0.057134007284392906
Energy: 0.05656011644106821
Energy: 0.055690813608323765
Energy: 0.05559281430947939
Energy: 0.05774728784196082
Energy: 0.055802402174610986
Energy: 0.05654134351615088
Energy: 0.017676093450997955
Energy: 0.017697008480306246
Energy: 0.017009150046353165
Energy: 0.019263574761868494
Energy: 0.017696693277336896
Energy: 0.01691822303386115
Energy: 0.055802412532055604
Energy: 0.017427436503033477
Energy: 0.017230112451129518
Energy: 0.055824466047641214
Energy: 0.019429923415939247
Energy: 0.017342396607743872
Energy: 0.05566077144525415
Energy: 0.016836946597074583
Energy: 0.017329282661919323
Energy: 0.05579672022212492
Energy: 0.01699376934994621
Energy: 0.05837947582141502
Energy: 0.018889137695337396
Energy: 0.01724992577312999
Energy: 0.05879229883702361
Energy: 0.020354630986339124
Energy: 0.017094133919029815
Energy: 0.05879973407646323
Energy: 0.017241890863488905
Energy: 0.05580561535871682
Energy: 0.05561219397514086
Energy: 0.017080302705262982
Energy: 0.05591155379590089
Energy: 0.055940345159080106

minimum gb energy = 0.016237043703136392 eV
minimum distance =  2.53137682699392 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.6882055127489024
Energy: 0.6778434616436322
Energy: 0.6747162712998912
Energy: 0.6308059830382317
Energy: 0.6809406602123489
Energy: 0.6375577466688238
Energy: 0.7292828674874401
Energy: 0.6890418527682864
Energy: 0.6873644975963047
Energy: 0.6914609071105522
Energy: 0.6983764273302472
Energy: 0.6860323804254364
Energy: 0.7291517712533027
Energy: 0.646796950847019
Energy: 0.6470286061370492
Energy: 0.6969841377723672
Energy: 0.6480560533439172
Energy: 0.6719527347914996
Energy: 0.7998246748882337
Energy: 0.6474437143500233
Energy: 0.6478710909929168
Energy: 0.7804405082442913
Energy: 0.6507720011247587
Energy: 0.6729034851670044
Energy: 0.6669795870612892
Energy: 0.690093236210021
Energy: 0.687388194623768
Energy: 0.6672884971081475
Energy: 0.696612124601391
Energy: 0.6865721984147932
Energy: 0.6542192770405426
Energy: 0.691181304275491
Energy: 0.6673696765646148
Energy: 0.6100725277720158
Energy: 0.6909521272116572
Energy: 0.6362258586822936
Energy: 0.7106804055745055
Energy: 0.6981744603993922
Energy: 0.6947872035472709
Energy: 0.6949619668993396
Energy: 0.6986431883755629
Energy: 0.689354597391497
Energy: 0.7087035523837663
Energy: 0.6536292238698946
Energy: 0.65422627968872
Energy: 0.6960269762094454
Energy: 0.6244230692153936
Energy: 0.65516282854756
Energy: 0.700603977451299
Energy: 0.656406287611109
Energy: 0.6777497870967715
Energy: 0.6953589208442329
Energy: 0.6755590211164917
Energy: 0.6909868114954756
Energy: 0.6909162179819271
Energy: 0.6715930478197547
Energy: 0.6660385993679449
Energy: 0.6908458916677038
Energy: 0.6782763961356966
Energy: 0.6721828360812567
Energy: 0.6663100110521839
Energy: 0.6669963857262632
Energy: 0.6678404754625445
Energy: 0.605592494919682
Energy: 0.6804584127423161
Energy: 0.639475985956734
Energy: 0.6383980141204941
Energy: 0.6779833871934909
Energy: 0.6793383055141817
Energy: 0.6380446615855886
Energy: 0.6770182735298335
Energy: 0.6361440192341976
Energy: 0.6362090604492293
Energy: 0.6288935980559252
Energy: 0.6512715479435772
Energy: 0.6361871014064371
Energy: 0.5930349303366685
Energy: 0.652045971475191
Energy: 0.6698705986345806
Energy: 0.653589979061448
Energy: 0.6521943685389778
Energy: 0.6428054729574091
Energy: 0.6334178974602711
Energy: 0.6568301769708564
Energy: 0.6685119947861459
Energy: 0.6106530489099643
Energy: 0.6104082057897295
Energy: 0.668410577924875
Energy: 0.6200293294704019
Energy: 0.611234603713006
Energy: 0.6673266033846139
Energy: 0.6456974750299047
Energy: 0.6446721104863388
Energy: 0.6396488337647898
Energy: 0.6660689311501935
Energy: 0.6454198812474882
Energy: 0.599169388297611
Energy: 0.6454895699018841
Energy: 0.6435349107936793
Energy: 0.5989938965257611
Energy: 0.6388194273589447
Energy: 0.5992944140265271
Energy: 0.5991587853411136
Energy: 0.6354413160088593
Energy: 0.6360703862680873
Energy: 0.5993818365960375
Energy: 0.6012546469017612
Energy: 0.6363136884527295
Energy: 0.6602578091487662
Energy: 0.662326400521476
Energy: 0.6349398359635763
Energy: 0.604772528856809
Energy: 0.665878982823416
Energy: 0.6357512813750851
Energy: 0.6676778126446473
Energy: 0.5987772338029006
Energy: 0.5983139391412291
Energy: 0.6690614310096379
Energy: 0.6076753901708584
Energy: 0.5989287418917334
Energy: 0.6672145668745776
Energy: 0.6377409400962329
Energy: 0.6450497456973344
Energy: 0.6655193520320032
Energy: 0.6409611954098574
Energy: 0.6427940974991362
Energy: 0.6125467032938612
Energy: 0.6376865844770433
Energy: 0.6448791855501508
Energy: 0.6119183809922668
Energy: 0.6401825927674626
Energy: 0.6117340879925593
Energy: 0.6129720538647458
Energy: 0.6549193845603961
Energy: 0.6548620941270537
Energy: 0.6131611347515747
Energy: 0.6538171134091693
Energy: 0.6537039118491526
Energy: 0.6677303534273904
Energy: 0.637943015613214
Energy: 0.6533291868853636
Energy: 0.6311665195276901
Energy: 0.6447697714205064
Energy: 0.6395036987735621
Energy: 0.6887379340427162
Energy: 0.6354736172044705
Energy: 0.6349368024544778
Energy: 0.689381144562417
Energy: 0.6370795127370769
Energy: 0.6438485860754387
Energy: 0.6862806224046271
Energy: 0.6524252886472395
Energy: 0.6531012072510133
Energy: 0.687068238792309
Energy: 0.6262117422172073
Energy: 0.6687299407017243
Energy: 0.6765175381730788
Energy: 0.6528018021295556
Energy: 0.653539731683442
Energy: 0.6715260381566664
Energy: 0.6837574032788004
Energy: 0.6724046259082639
Energy: 0.6456230434121436
Energy: 0.6910634084046744
Energy: 0.6912355232058893
Energy: 0.6460201488324337
Energy: 0.6905244831929578
Energy: 0.6907771637979422
Energy: 0.663661171938417
Energy: 0.6896388954941547
Energy: 0.6735428425781599
Energy: 0.6125381427919248
Energy: 0.6954312531656769
Energy: 0.6397778731639968
Energy: 0.688298356210901
Energy: 0.6917786814384755
Energy: 0.6887969533276388
Energy: 0.6869265373747255
Energy: 0.6948550715442642
Energy: 0.6902877738253232
Energy: 0.6910752238073542
Energy: 0.6531254011140815
Energy: 0.6530928832291605
Energy: 0.6917263539348198
Energy: 0.6217770302095009
Energy: 0.6532752153935523
Energy: 0.7300150431316935
Energy: 0.6558570079269653
Energy: 0.6862300924799092
Energy: 0.6904884978239814
Energy: 0.6678677719580361
Energy: 0.6877068411588207
Energy: 0.654600717376174
Energy: 0.6918843517728864
Energy: 0.6902079944882532
Energy: 0.6547897205270867
Energy: 0.6919971033446998
Energy: 0.6790710598645927

minimum gb energy = 0.5930349303366685 eV
minimum distance =  2.33425796825221 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.8591477926335178
Energy: 0.8381585351694473
Energy: 0.8506328562843573
Energy: 0.8098968742302205
Energy: 0.8392038513830409
Energy: 0.8507644337023127
Energy: 0.906585862363193
Energy: 0.849994250867152
Energy: 0.8484615172825214
Energy: 0.8464221220675452
Energy: 0.8466792694628607
Energy: 0.8297192585386702
Energy: 0.9202050249004071
Energy: 0.8128261789600957
Energy: 0.8190480738212139
Energy: 0.8401548531251182
Energy: 0.8136928995977206
Energy: 0.8192465319431529
Energy: 0.8618008703904303
Energy: 0.8205169205503777
Energy: 0.819773202238368
Energy: 0.8443222120002548
Energy: 0.8191558836279976
Energy: 0.8208933908405164
Energy: 0.862402277774672
Energy: 0.8464437462770424
Energy: 0.8482348926297211
Energy: 0.8412826506920095
Energy: 0.8459131873588827
Energy: 0.8324934708293072
Energy: 0.8147440143528187
Energy: 0.830545741394548
Energy: 0.8236171327688806
Energy: 0.8208462714642945
Energy: 0.8294050060879692
Energy: 0.8229930962967158
Energy: 0.8695133847751603
Energy: 0.8472143794368162
Energy: 0.8498688898471036
Energy: 0.8490647787254986
Energy: 0.8478353721828801
Energy: 0.8383311514394155
Energy: 0.866576634379607
Energy: 0.8185683136012863
Energy: 0.8268204548112749
Energy: 0.8495017509087368
Energy: 0.8088973317029796
Energy: 0.8361238696160617
Energy: 0.8472027793498234
Energy: 0.8362411023104601
Energy: 0.8480533783834558
Energy: 0.8440023384113023
Energy: 0.848980542027736
Energy: 0.8460880004805958
Energy: 0.8470287122694076
Energy: 0.8279195774502386
Energy: 0.8351403293138222
Energy: 0.8472040588540855
Energy: 0.8380427267401385
Energy: 0.8394220715797185
Energy: 0.8363799183313085
Energy: 0.8322344173109771
Energy: 0.8319113259674811
Energy: 0.8137974434784674
Energy: 0.8389036780464433
Energy: 0.8275025865080825
Energy: 0.8196326435552829
Energy: 0.8322403291001593
Energy: 0.8322971604950391
Energy: 0.8095210363142029
Energy: 0.8289751384452605
Energy: 0.8149471962813346
Energy: 0.8088276694382229
Energy: 0.8211388451872922
Energy: 0.8259985559521419
Energy: 0.80901966075463
Energy: 0.8143373152715073
Energy: 0.816474935508179
Energy: 0.8352356588146441
Energy: 0.8267618006942579
Energy: 0.8250848152380017
Energy: 0.8132987468944561
Energy: 0.8399443985988793
Energy: 0.825064479216003
Energy: 0.8392189887548823
Energy: 0.8182877366386452
Energy: 0.8222123893454866
Energy: 0.8396658705749923
Energy: 0.8167999634621581
Energy: 0.8276347962430722
Energy: 0.8393044845410076
Energy: 0.834042965628459
Energy: 0.8323362625545215
Energy: 0.8317011470157503
Energy: 0.845650939350225
Energy: 0.8306526116661156
Energy: 0.8327725889531876
Energy: 0.8227675120033972
Energy: 0.8232912623684123
Energy: 0.8327502439901489
Energy: 0.8064970614829367
Energy: 0.831442445161827
Energy: 0.8325650859798702
Energy: 0.8466645001755626
Energy: 0.8476842100043045
Energy: 0.8330778678800215
Energy: 0.8479191691490435
Energy: 0.8406857116570072
Energy: 0.8197783912700133
Energy: 0.8390809993700037
Energy: 0.8274083106082673
Energy: 0.8161204002873147
Energy: 0.8397132958863419
Energy: 0.827768954101206
Energy: 0.8415711511148243
Energy: 0.8435858056526999
Energy: 0.8481123608486946
Energy: 0.8424566701090702
Energy: 0.853444458828371
Energy: 0.8487391332914986
Energy: 0.8413448943169819
Energy: 0.8347487985679946
Energy: 0.8327070347856192
Energy: 0.8415164891229308
Energy: 0.8204833094604282
Energy: 0.8469218825477406
Energy: 0.9208612804522347
Energy: 0.8162898040430177
Energy: 0.8328189703051593
Energy: 0.8399482575085706
Energy: 0.817525742966059
Energy: 0.8467719790443838
Energy: 0.8827010343376945
Energy: 0.8504037417725041
Energy: 0.8520506494862202
Energy: 0.8354764655611487
Energy: 0.8460692637318519
Energy: 0.8413465799186038

minimum gb energy = 0.8064970614829367 eV
minimum distance =  2.34445390150891 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.0193313143052938
Energy: 1.0110479121897251
Energy: 0.9986693699495871
Energy: 0.9575657712927047
Energy: 1.0121888903590655
Energy: 0.9956419035390502
Energy: 1.0970485840126132
Energy: 0.9988581187521416
Energy: 0.9912853088096443
Energy: 0.9795834991755826
Energy: 0.9990543869222371
Energy: 0.990938718692017
Energy: 1.0940776655794457
Energy: 0.9701478246763707
Energy: 0.9691467564087706
Energy: 0.9912440452467906
Energy: 0.9706587812049677
Energy: 0.9680128024127074
Energy: 1.0313795476325875
Energy: 0.9701852273350086
Energy: 0.9681084579715752
Energy: 0.9919679693228827
Energy: 0.9690319986306503
Energy: 0.9681833308165337
Energy: 0.975765749432801
Energy: 0.9988273028386545
Energy: 0.99147670068676
Energy: 0.9728504665354145
Energy: 0.9957693543698585
Energy: 0.9900937750922795
Energy: 0.9607812472461301
Energy: 0.9866308596544647
Energy: 0.9900086217490041
Energy: 0.9652757750109228
Energy: 0.9839987776370209
Energy: 0.9678976806164081
Energy: 1.033346704349553
Energy: 0.9923523779963613
Energy: 0.9901788228858208
Energy: 0.9826638974988753
Energy: 0.9992178621420066
Energy: 0.9861708655637568
Energy: 1.0322088494143025
Energy: 0.9779585957728886
Energy: 0.9868849145009515
Energy: 0.9882204379524226
Energy: 0.9811716029464488
Energy: 0.9867454252315749
Energy: 0.9849696899459052
Energy: 0.9863839660655351
Energy: 0.9910795911533093
Energy: 0.9854521540046679
Energy: 0.9873064856170504
Energy: 0.9881130460246474
Energy: 0.9854518663658531
Energy: 0.9799488417653217
Energy: 0.9795359166981138
Energy: 0.9865929817114714
Energy: 0.9833006407753588
Energy: 0.9822522517729929
Energy: 0.9832113210965698
Energy: 0.9777265285082913
Energy: 0.9768125337752099
Energy: 0.9824095227693698
Energy: 0.9870481087087802
Energy: 0.9773946949730966
Energy: 0.9915613367249821
Energy: 0.981420892711527
Energy: 0.9760115377669627
Energy: 0.9894939641182443
Energy: 0.9669011239672058
Energy: 0.9770962165515654
Energy: 0.9898413003023977
Energy: 0.9877842114235222
Energy: 0.9855933969721234
Energy: 0.984610850462993
Energy: 0.9866611190147655
Energy: 0.978259581933831
Energy: 0.9726970599343665
Energy: 0.9862797360249405
Energy: 0.9862861361685981
Energy: 0.9754309609265989
Energy: 0.9847400421277814
Energy: 0.9649683028629781
Energy: 0.9861222605985908
Energy: 0.9886278349589206
Energy: 0.9882331870598144
Energy: 0.9873085919640059
Energy: 0.9831862441989236
Energy: 0.9912784735962397
Energy: 1.000494800034641
Energy: 0.983879524830306
Energy: 0.9834448421899868
Energy: 0.9977849824176834
Energy: 0.9708093545706021
Energy: 0.999634256701162
Energy: 1.0948891652124473
Energy: 0.9667228955264225
Energy: 0.9813149136183155
Energy: 0.9876304950318177
Energy: 0.9726498806964513
Energy: 0.9828691831956428
Energy: 1.1031963651328738
Energy: 1.006403874650463
Energy: 1.000248799798963
Energy: 0.987704676488085
Energy: 1.0026896729579782
Energy: 1.0164832307520377
Energy: 0.9385391448357301
Energy: 0.987380719524036
Energy: 0.9675411336881983
Energy: 0.9539857324807193
Energy: 0.98941161376816
Energy: 0.9627711318992956
Energy: 1.009690090280651
Energy: 0.9990039339919227
Energy: 0.9929287733709049
Energy: 0.9673165692949485
Energy: 0.9963937797600532
Energy: 0.9908931545666976
Energy: 1.0956591765619117
Energy: 0.9748743600881239
Energy: 0.9674379496698952
Energy: 0.9921887101860629
Energy: 0.968228633304614
Energy: 0.9671103213499647
Energy: 1.0210808928577642
Energy: 0.9709367171497434
Energy: 0.9690025978839144
Energy: 0.9918157418600918
Energy: 0.9711887203730863
Energy: 0.9683381049295591
Energy: 1.0441007653861083
Energy: 1.0005914314014928
Energy: 0.9918816152088957
Energy: 0.9790504306011713
Energy: 0.9983484840067259
Energy: 0.9906286755797704
Energy: 0.9572176977020849
Energy: 0.9864806343283289
Energy: 0.9880450042630965
Energy: 0.9665845154978661
Energy: 0.9854711893833645
Energy: 0.9676165005246976
Energy: 1.0332304261026997
Energy: 0.9955291667425704
Energy: 0.9934960580784264
Energy: 0.9834852939814119
Energy: 0.9940603952191528
Energy: 1.0076333837262028
Energy: 1.0318585523941781
Energy: 0.9782068651955861
Energy: 0.9866410031917022
Energy: 0.9880135469774276
Energy: 0.9810010392773162
Energy: 0.9875491564623279
Energy: 0.9831225916009309
Energy: 0.9865563878558922
Energy: 0.9901665808503566
Energy: 0.9861820431110906
Energy: 0.9832880980600458
Energy: 0.9872442258824827
Energy: 0.985956469992907
Energy: 0.980974526271339
Energy: 0.9809036990421953
Energy: 0.9865455559799154
Energy: 0.9833248293730815
Energy: 0.9832433167131992
Energy: 0.9823371754557823
Energy: 0.9913890878256503
Energy: 0.9767096609982138
Energy: 0.9817828336360048
Energy: 0.9880051491993729
Energy: 0.9760855547095164
Energy: 0.993104351752678
Energy: 0.97995167398776
Energy: 0.9767617621760613
Energy: 0.9907238538608863
Energy: 0.9666775975573352
Energy: 0.9764118626574757
Energy: 0.9910502414274297
Energy: 0.9882574008219828
Energy: 0.9792416416915536
Energy: 0.9843569925469138
Energy: 0.9870930158415535
Energy: 0.9799469632185931
Energy: 0.9735365511182594
Energy: 0.9858843758396231
Energy: 0.9867360881634212
Energy: 0.975612117362102
Energy: 0.98611805215243
Energy: 0.9724747303047102
Energy: 0.9866130388516904
Energy: 0.9877739997069487
Energy: 0.987247118691866
Energy: 0.9794152816338836
Energy: 0.9843623367829228
Energy: 0.9902899277090513
Energy: 0.998218181716622
Energy: 0.9841158916285744
Energy: 0.9985320012423347
Energy: 0.9991428801516522
Energy: 0.9713127232445598
Energy: 0.9985012128508012
Energy: 1.093847951622231
Energy: 0.9668603412490031
Energy: 0.9793113019480376
Energy: 0.9874135564629621
Energy: 0.9634674331121938
Energy: 0.9843560306064165
Energy: 1.102809201096007
Energy: 1.0028447662208748
Energy: 1.0420855161747786
Energy: 0.9865670210846677
Energy: 1.0039540368360425
Energy: 0.9983266351516064
Energy: 0.9385687724819796
Energy: 0.9885830362163874
Energy: 0.9685042971875226
Energy: 0.953800531518032
Energy: 0.9890489868183046
Energy: 0.9615331275036944

minimum gb energy = 0.9385391448357301 eV
minimum distance =  2.37671118465517 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.2339031550648811
Energy: 1.228135185767117
Energy: 1.2712461447680987
Energy: 1.211384780505698
Energy: 1.2222571755739757
Energy: 1.2730520738879059
Energy: 1.3409576879050553
Energy: 1.222854553930042
Energy: 1.224585567775986
Energy: 1.2307540244439865
Energy: 1.2208558175031279
Energy: 1.209111246223564
Energy: 1.3387872177280444
Energy: 1.193161571249631
Energy: 1.1913846544087965
Energy: 1.2253427133926247
Energy: 1.1954245368724552
Energy: 1.211229653270234
Energy: 1.2263651775008961
Energy: 1.1930310487481548
Energy: 1.1919715236824875
Energy: 1.2227476850716679
Energy: 1.1934759075305053
Energy: 1.2295756897235874
Energy: 1.2273775660453852
Energy: 1.2182724520738148
Energy: 1.2251081663599452
Energy: 1.2298824272568907
Energy: 1.2189090784890115
Energy: 1.2080876675659702
Energy: 1.195632117219838
Energy: 1.218771320215149
Energy: 1.2068695570813563
Energy: 1.191689719749198
Energy: 1.2185084002278233
Energy: 1.207020936319714
Energy: 1.2926057047623964
Energy: 1.2298565971012196
Energy: 1.2218620737997166
Energy: 1.2096556100734017
Energy: 1.2296255205718827
Energy: 1.2036731360243573
Energy: 1.2894278235009518
Energy: 1.2087440252865254
Energy: 1.2072132742066233
Energy: 1.2097079311215677
Energy: 1.2067088704619102
Energy: 1.2073990638566134
Energy: 1.1954021206165522
Energy: 1.20786149065966
Energy: 1.2044409170266779
Energy: 1.199300717758122
Energy: 1.210775638266346
Energy: 1.204001809737656
Energy: 1.213535124071323
Energy: 1.2083818664809605
Energy: 1.2054760432320026
Energy: 1.2109066573359781
Energy: 1.2134967311413927
Energy: 1.2049084077182164
Energy: 1.2143966647208266
Energy: 1.2243620420067436
Energy: 1.2333304882835652
Energy: 1.2169488840383735
Energy: 1.216634693424383
Energy: 1.230736661943842
Energy: 1.3817164622768892
Energy: 1.2017154136027959
Energy: 1.2014566991223783
Energy: 1.219689390521652
Energy: 1.2010868915173463
Energy: 1.1993568660626408
Energy: 1.3849331472921869
Energy: 1.2333572102184371
Energy: 1.2299994522543172
Energy: 1.2227271074731552
Energy: 1.2288588533352374
Energy: 1.2074333203420453
Energy: 1.185940425031194
Energy: 1.2202419786280132
Energy: 1.1999846216805603
Energy: 1.1858239177292407
Energy: 1.217941764097361
Energy: 1.1983321854060012

minimum gb energy = 1.1858239177292407 eV
minimum distance =  2.36778191941261 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.4608646033018537
Energy: 1.4868399701455106
Energy: 1.4811571068765286
Energy: 1.4063467319519403
Energy: 1.4872754286335668
Energy: 1.4900010130707941
Energy: 1.6442284189703364
Energy: 1.394651483312867
Energy: 1.387390098926883
Energy: 1.3952312056556244
Energy: 1.4004519091110863
Energy: 1.3932308966443157
Energy: 1.6541352985596884
Energy: 1.377896549949533
Energy: 1.3771112895180766
Energy: 1.3996711244298439
Energy: 1.378861733444189
Energy: 1.398406672108491
Energy: 1.423526311289251
Energy: 1.377777817687351
Energy: 1.3971996257731925
Energy: 1.399751714699821
Energy: 1.3782806549394426
Energy: 1.3961772234228673
Energy: 1.419055306417387
Energy: 1.3912403590240046
Energy: 1.3882060976523984
Energy: 1.3961052961178806
Energy: 1.3874812848808409
Energy: 1.3875987805644692
Energy: 1.4227308874602609
Energy: 1.3735009873454207
Energy: 1.3731204473194483
Energy: 1.3889024137639527
Energy: 1.3749069665103784
Energy: 1.3885518284833651
Energy: 1.4337336370117064
Energy: 1.3739803135333717
Energy: 1.3732541136217562
Energy: 1.3749797432190944
Energy: 1.36923925279989
Energy: 1.372890723758696
Energy: 1.5365563428448137
Energy: 1.3869792623123833
Energy: 1.3887681737161228
Energy: 1.3879252537257802
Energy: 1.3931746123568982
Energy: 1.38836030026217
Energy: 1.4252980738999863
Energy: 1.3983948935410133
Energy: 1.3982911965296927
Energy: 1.3725911580715273
Energy: 1.3997167886030193
Energy: 1.383412559830146
Energy: 1.4243258152242502
Energy: 1.3983495387219507
Energy: 1.397591147287879
Energy: 1.3722989107630261
Energy: 1.39935813328029
Energy: 1.383314306711903
Energy: 1.48557136482138
Energy: 1.397440459254331
Energy: 1.393584394418012
Energy: 1.3919885393552525
Energy: 1.3932374701210506
Energy: 1.3938452979347349
Energy: 1.4499575074318263
Energy: 1.3735152332472176
Energy: 1.372592893165606
Energy: 1.4186634219822465
Energy: 1.3675981175131087
Energy: 1.3731351023665286
Energy: 1.4311967973081685
Energy: 1.3844432657061523
Energy: 1.384305183613163
Energy: 1.406104358302772
Energy: 1.3955019007659597
Energy: 1.3941443585053854
Energy: 1.4209785210134152
Energy: 1.3850873708404405
Energy: 1.3840243149356033
Energy: 1.3792774406809654
Energy: 1.3833134049218678
Energy: 1.383995951507491
Energy: 1.4312384902273267
Energy: 1.3855030855164219
Energy: 1.3834612131425166
Energy: 1.3863189164307677
Energy: 1.384852719591005
Energy: 1.3842179142336741
Energy: 1.5157151026742206
Energy: 1.385141972005161
Energy: 1.3842032962673088
Energy: 1.383905746830536
Energy: 1.3833573255271678
Energy: 1.3852996383710092
Energy: 1.4311494645929723
Energy: 1.3842392040209641
Energy: 1.385092841560935
Energy: 1.4195815212792904
Energy: 1.3840154775869633
Energy: 1.38546298184496
Energy: 1.4176043256713966
Energy: 1.437497384164388
Energy: 1.41024194792277
Energy: 1.385463439494359
Energy: 1.4117165187932095
Energy: 1.3665088396222338
Energy: 1.4170780252261
Energy: 1.3856896199571183
Energy: 1.3853993418831456
Energy: 1.424049943163627
Energy: 1.3841241753909097
Energy: 1.384111348211541
Energy: 1.4379593302847775
Energy: 1.37828320283672
Energy: 1.3771631058145641
Energy: 1.418079477651771
Energy: 1.379340758004511
Energy: 1.4060086849109976
Energy: 1.5651807870850294
Energy: 1.3776019229484693
Energy: 1.3991279367593725
Energy: 1.4004236980594444
Energy: 1.3776842897143986
Energy: 1.4002969972210153
Energy: 1.4663619950583482
Energy: 1.4018979961751523
Energy: 1.4010516978288918
Energy: 1.3984046920328295
Energy: 1.4077917074873993
Energy: 1.4048380883836793
Energy: 1.4318227601906286
Energy: 1.4210242883641644
Energy: 1.3927145282209563
Energy: 1.373239483875609
Energy: 1.410289151577374
Energy: 1.3832540483807076
Energy: 1.5826460738195967
Energy: 1.384854431763587
Energy: 1.3840030182384533
Energy: 1.3842525174560223
Energy: 1.422062749730933
Energy: 1.3841270966404684
Energy: 1.4851251025283638
Energy: 1.38481576034148
Energy: 1.3835349636781062
Energy: 1.4367421632393884
Energy: 1.3830794388309708
Energy: 1.3802642923935429
Energy: 1.4210860882537866
Energy: 1.3848058116587056
Energy: 1.386503528637095
Energy: 1.3846809455901121
Energy: 1.3840880083068683
Energy: 1.3847213690750348
Energy: 1.4220442767088364
Energy: 1.3838771393498466
Energy: 1.3860016926806547
Energy: 1.3841198066458111
Energy: 1.3836864888144116
Energy: 1.384327308643605
Energy: 1.4188512010223167
Energy: 1.3836900521415467
Energy: 1.3856523276841486
Energy: 1.384444177402774
Energy: 1.3850329542653097
Energy: 1.383428173681293
Energy: 1.4288508763153964
Energy: 1.3777527386304667
Energy: 1.3767295625609286
Energy: 1.4011756203141745
Energy: 1.3789098930184371
Energy: 1.3762118189805994
Energy: 1.6569231508060924
Energy: 1.4247682050097918
Energy: 1.3841258680902089
Energy: 1.3848648840540096
Energy: 1.3921778557485536
Energy: 1.3828542225273495
Energy: 1.4321325535771647
Energy: 1.4054546983915517
Energy: 1.3870766598869564
Energy: 1.3709983968452786
Energy: 1.3945031340500613
Energy: 1.3807679779427953

minimum gb energy = 1.3665088396222338 eV
minimum distance =  2.3391875283277 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 2.108804859046933
Energy: 1.532673526515974
Energy: 1.5300204401394286
Energy: 1.5333464354675956
Energy: 1.5348914900011417
Energy: 1.5301311160565632
Energy: 1.6715904808272433
Energy: 1.4809291184963538
Energy: 1.4820084266448292
Energy: 1.4840179630810542
Energy: 1.4828380658894411
Energy: 1.4817626992586181
Energy: 1.6923342377408697
Energy: 1.4640552660792372
Energy: 1.463661107690449
Energy: 1.4814413254388477
Energy: 1.4652144273160639
Energy: 1.4836369261014235
Energy: 1.5452347771202837
Energy: 1.4810140451884803
Energy: 1.4793470104029962
Energy: 1.4803635482921236
Energy: 1.4674277917629455
Energy: 1.479892127688295
Energy: 1.5190360036820825
Energy: 1.4837085982134388
Energy: 1.4802037837454858
Energy: 1.481977268502655
Energy: 1.4810087778347265
Energy: 1.4792170211915765
Energy: 1.5380498514886984
Energy: 1.4809716985797416
Energy: 1.479995967046069
Energy: 1.4816054643445733
Energy: 1.482717335471653
Energy: 1.4792992871235597
Energy: 1.545328992363234
Energy: 1.4656949536569572
Energy: 1.4657957880904942
Energy: 1.4843606304877741
Energy: 1.4673935535122424
Energy: 1.4791708518188105
Energy: 1.6911836611199291
Energy: 1.4835586699938115
Energy: 1.4824464349742925
Energy: 1.4842391972017817
Energy: 1.481246677013882
Energy: 1.481786067351596
Energy: 1.5292822674294833
Energy: 1.4834635739664814
Energy: 1.4678654235961783
Energy: 1.4709547108670349
Energy: 1.48190394483219
Energy: 1.468054991638765
Energy: 1.5291933378746678
Energy: 1.4828836947514707
Energy: 1.4676897754873717
Energy: 1.4710116504622917
Energy: 1.4811798957202766
Energy: 1.4679008000266596
Energy: 1.6804501393976667
Energy: 1.481291507773652
Energy: 1.4798784006894155
Energy: 1.4829670991237478
Energy: 1.4819811608119122
Energy: 1.4788136798564446
Energy: 1.538538251608969
Energy: 1.4638765644422644
Energy: 1.4632577320920013
Energy: 1.4819611740854293
Energy: 1.4650806232585531
Energy: 1.4854903967129054
Energy: 1.5202912077024682
Energy: 1.484604971838296
Energy: 1.481002165522992
Energy: 1.4829490977534294
Energy: 1.48130695726406
Energy: 1.4801242149713816
Energy: 1.542327408836575
Energy: 1.4808900365980928
Energy: 1.4801222802369942
Energy: 1.4819995142908167
Energy: 1.4822557849048676
Energy: 1.4795128670783046
Energy: 1.516019925447591
Energy: 1.4669441803382253
Energy: 1.4786081113287626
Energy: 1.482377414023123
Energy: 1.4658698928450635
Energy: 1.4784601177504368
Energy: 1.7057851645246689
Energy: 1.4672795057235934
Energy: 1.4667933276597995
Energy: 1.4824169495097854
Energy: 1.4705380882586938
Energy: 1.4816919458188158
Energy: 1.530281802210952
Energy: 1.4811314695419175
Energy: 1.4817317667130145
Energy: 1.4718706132414685
Energy: 1.482391805617845
Energy: 1.4821451250700757

minimum gb energy = 1.4632577320920013 eV
minimum distance =  2.33964065196027 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.6619931156086762
Energy: 1.5640825085830075
Energy: 1.5431571161432458
Energy: 1.6862655478839723
Energy: 1.5701174085238139
Energy: 1.543683810274783
Energy: 1.644526092604392
Energy: 1.5124551212662307
Energy: 1.5132426903215581
Energy: 1.5102938959716303
Energy: 1.514307995743241
Energy: 1.5213947966573638
Energy: 1.6416475157857233
Energy: 1.563800401743424
Energy: 1.5240091244067389
Energy: 1.539866689007606
Energy: 1.5602820925124357
Energy: 1.5230682142757115
Energy: 1.51310796570551
Energy: 1.5212632990091342
Energy: 1.5199706679218445
Energy: 1.5105007469815894
Energy: 1.495559164093418
Energy: 1.5190205919091224
Energy: 1.5124848333440375
Energy: 1.4884632206097395
Energy: 1.4888926788148866
Energy: 1.510748844870714
Energy: 1.4894450492287226
Energy: 1.4905174385416664
Energy: 1.5110283056478744
Energy: 1.4867270647529558
Energy: 1.4856134563379724
Energy: 1.4939882658722492
Energy: 1.490536628163531
Energy: 1.4855681380742578
Energy: 1.5366980458824875
Energy: 1.5767145252068404
Energy: 1.5337686062931826
Energy: 1.4804571368233133
Energy: 1.5797931442909163
Energy: 1.5340287620728672
Energy: 1.664170968171289
Energy: 1.4897152861290237
Energy: 1.487271837434563
Energy: 1.490529750180785
Energy: 1.4875817154355757
Energy: 1.4867142459290534
Energy: 1.6261769432613111
Energy: 1.4867134813874108
Energy: 1.4861727579874104
Energy: 1.539501711433506
Energy: 1.4873712462958872
Energy: 1.520934444613673
Energy: 1.6234937757643835
Energy: 1.4867168621131512
Energy: 1.4863139060288113
Energy: 1.5401758412458844
Energy: 1.4873669081259862
Energy: 1.486214153524021
Energy: 1.6668774595998461
Energy: 1.5005259152537
Energy: 1.4991925063102305
Energy: 1.486719868986615
Energy: 1.4882371088190491
Energy: 1.4980908978800322
Energy: 1.6156740567644876
Energy: 1.5220056029224793
Energy: 1.52253742501246
Energy: 1.5146155095485194
Energy: 1.5184014261817467
Energy: 1.52126785148312
Energy: 1.609150423150288
Energy: 1.5233656901382329
Energy: 1.523338710588806
Energy: 1.5830458727088046
Energy: 1.5257345435702907
Energy: 1.5582430838493613
Energy: 1.6118600864558803
Energy: 1.5256165887033133
Energy: 1.523859729784423
Energy: 1.48783537820676
Energy: 1.5244683958452492
Energy: 1.519129635781188
Energy: 1.6128759957786292
Energy: 1.4844019167372757
Energy: 1.4838455235096253
Energy: 1.5194736625426084
Energy: 1.4860218726414114
Energy: 1.511144009568656
Energy: 1.5886393201247877
Energy: 1.5345817078188482
Energy: 1.4834342145440977
Energy: 1.501838895495222
Energy: 1.5369792108501332
Energy: 1.483677798986987
Energy: 1.5721497237028872
Energy: 1.520270276478214
Energy: 1.5190233619488107
Energy: 1.5394899153466033
Energy: 1.5227198296012485
Energy: 1.5204090804677206
Energy: 1.5685114974050367
Energy: 1.4975374643964035
Energy: 1.5520480790399902
Energy: 1.5580625552005842
Energy: 1.513123760691407
Energy: 1.5559698311406234
Energy: 1.60644226333123
Energy: 1.5665635146493093
Energy: 1.5639793173966146
Energy: 1.5595983705928156
Energy: 1.5316170684220487
Energy: 1.5585260072466012
Energy: 1.5968874409364626
Energy: 1.5653578529154148
Energy: 1.5611356361175257
Energy: 1.5609874404010404
Energy: 1.5572769122651389
Energy: 1.5235584801269064
Energy: 1.6166385100485974
Energy: 1.512354699979289
Energy: 1.514522930497513
Energy: 1.4856627452896294
Energy: 1.514778946266515
Energy: 1.515245748624024

minimum gb energy = 1.4804571368233133 eV
minimum distance =  2.30994134952812 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.8890762057256103
Energy: 1.4955685207942053
Energy: 1.4826465421274755
Energy: 1.4975627537568006
Energy: 1.5135912577514379
Energy: 1.4828859756932369
Energy: 1.5893908615294718
Energy: 1.5125202151509107
Energy: 1.5110032966383264
Energy: 1.5116776263163474
Energy: 1.5343880136354784
Energy: 1.5107162188538525
Energy: 1.590848594984728
Energy: 1.5288825194555096
Energy: 1.5292544611086694
Energy: 1.4677732917761792
Energy: 1.5023004630223245
Energy: 1.5299735540041182
Energy: 1.5842178194147771
Energy: 1.512371286097092
Energy: 1.510657202882876
Energy: 1.520685599513017
Energy: 1.5163973493504666
Energy: 1.5102717013417783
Energy: 1.513324577339621
Energy: 1.508034046769261
Energy: 1.5078540580978756
Energy: 1.4944818106704965
Energy: 1.5101366846656525
Energy: 1.506806457730111
Energy: 1.5517131187456168
Energy: 1.5048896710853488
Energy: 1.5030006246302945
Energy: 1.5049206122978487
Energy: 1.509338200527686
Energy: 1.5029172469571934
Energy: 1.5793117548188766
Energy: 1.4756798747102922
Energy: 1.4753830530665397
Energy: 1.4944251870943672
Energy: 1.4773931523926422
Energy: 1.475826401664335
Energy: 1.6090520754012854
Energy: 1.4771109774848885
Energy: 1.50712783675801
Energy: 1.5084305667570523
Energy: 1.480008209081294
Energy: 1.5075004683021451
Energy: 1.6666848732127453
Energy: 1.4840714338071517
Energy: 1.4831511949446325
Energy: 1.4863048468731004
Energy: 1.4841487872881929
Energy: 1.482712622640747
Energy: 1.6665884401613735
Energy: 1.4838022676254945
Energy: 1.4832287241201074
Energy: 1.4859022533197914
Energy: 1.4852564254070069
Energy: 1.4830604764186213
Energy: 1.5889572604441193
Energy: 1.4821569314905905
Energy: 1.4814319322647622
Energy: 1.5274424072707502
Energy: 1.4918640644737458
Energy: 1.519153031736413
Energy: 1.5593548143755596
Energy: 1.5044682684338366
Energy: 1.5016650060954673
Energy: 1.5065656496833901
Energy: 1.5063172670918221
Energy: 1.5003271180331164
Energy: 1.4942334067392764
Energy: 1.521921104912991
Energy: 1.4749387775621046
Energy: 1.4820345735634866
Energy: 1.5244676921755032
Energy: 1.4743575614555182
Energy: 1.4861331566364915
Energy: 1.505215332620532
Energy: 1.5070249675533973
Energy: 1.4882979931967815
Energy: 1.4808537003992663
Energy: 1.4740524044959376
Energy: 1.5595758752530882
Energy: 1.4811277523201432
Energy: 1.480506089224528
Energy: 1.5032394646918388
Energy: 1.481757324855963
Energy: 1.498803575394272
Energy: 1.595346345302825
Energy: 1.4802845266120717
Energy: 1.4798769874180753
Energy: 1.4844394729999415
Energy: 1.4815113662782895
Energy: 1.4803863024365624
Energy: 1.51400282751087
Energy: 1.4881094768332201
Energy: 1.4862774500472635
Energy: 1.4978139584181247
Energy: 1.4804666464289205
Energy: 1.4856935881784565
Energy: 1.592174371180124
Energy: 1.5069434591136277
Energy: 1.4808687680013395
Energy: 1.505318686290215
Energy: 1.5067889937860866
Energy: 1.4844986821372186
Energy: 1.571279721714965
Energy: 1.4792027729134203
Energy: 1.477819712176883
Energy: 1.470077096486705
Energy: 1.480408289826087
Energy: 1.4773425572323309
Energy: 1.590796283771678
Energy: 1.479267646781713
Energy: 1.4776174110909985
Energy: 1.4714982598770046
Energy: 1.4805459329828696
Energy: 1.477040970556838
Energy: 1.6093025732023098
Energy: 1.5089650522593798
Energy: 1.5076424751820758
Energy: 1.5071607226014152
Energy: 1.508608474988874
Energy: 1.5076909460162016
Energy: 1.5154582289865874
Energy: 1.499797670066753
Energy: 1.506701260337403
Energy: 1.4985093860073735
Energy: 1.5251250434423609
Energy: 1.5062446015732085
Energy: 1.617136119934159
Energy: 1.5081427345591132
Energy: 1.5070852044896699
Energy: 1.5110213007516025
Energy: 1.5095287931104782
Energy: 1.5069542833065126
Energy: 1.591784440740819
Energy: 1.4958149398914067
Energy: 1.495515958656683
Energy: 1.521340000796948
Energy: 1.4957870039014671
Energy: 1.5708885574981868
Energy: 1.5619745797917604
Energy: 1.5249253343199205
Energy: 1.5246576258249953
Energy: 1.4884130544874825
Energy: 1.5392463056975894
Energy: 1.491181345003264

minimum gb energy = 1.4677732917761792 eV
minimum distance =  2.30264626346655 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.5765998499013028
Energy: 1.4185072952703492
Energy: 1.4828765995362871
Energy: 1.4497404107253518
Energy: 1.4270400095725944
Energy: 1.4835735843125635
Energy: 1.6148060138909135
Energy: 1.4691201200741018
Energy: 1.4682862457415957
Energy: 1.4724215093240978
Energy: 1.4252046183268738
Energy: 1.4680579691184377
Energy: 1.5608481204821514
Energy: 1.460835631772333
Energy: 1.4553650307545873
Energy: 1.4329919065723895
Energy: 1.469066737584576
Energy: 1.4541073000624012
Energy: 1.5232696095403662
Energy: 1.4669021245888798
Energy: 1.463687768191842
Energy: 1.4645504472451567
Energy: 1.4725266243935524
Energy: 1.4631287127778554
Energy: 1.5203640599923576
Energy: 1.4312615458240414
Energy: 1.4451143057828575
Energy: 1.4685220560210306
Energy: 1.4373315734427943
Energy: 1.4473399074334856
Energy: 1.5247696993874698
Energy: 1.4677900502214578
Energy: 1.465610179554834
Energy: 1.3860457564828612
Energy: 1.4712970519544646
Energy: 1.4652958950280228
Energy: 1.5249288881259986
Energy: 1.45001949979741
Energy: 1.44525228066052
Energy: 1.4438478832237835
Energy: 1.4526839978919932
Energy: 1.4433466879123964
Energy: 1.5117887027514907
Energy: 1.4549987173697578
Energy: 1.468265198586966
Energy: 1.4118401863939987
Energy: 1.4522480770142192
Energy: 1.4683181310227813
Energy: 1.5061251396953153
Energy: 1.4526579235195902
Energy: 1.4517456438075707
Energy: 1.389226859342985
Energy: 1.4544214475153623
Energy: 1.4511644283430396
Energy: 1.5024162658488576
Energy: 1.4559467045991927
Energy: 1.4531880355245852
Energy: 1.4057303434151862
Energy: 1.454691384025456
Energy: 1.4525497624366266
Energy: 1.5190099359242026
Energy: 1.4326882471514393
Energy: 1.4374022332437912
Energy: 1.4532730125142652
Energy: 1.43856229989324
Energy: 1.437366638112243
Energy: 1.5373413542925987
Energy: 1.4573171246168972
Energy: 1.4547155769724196
Energy: 1.4553284432271576
Energy: 1.4564202208058454
Energy: 1.4543065070858447
Energy: 1.5391892457866823
Energy: 1.4516493789705371
Energy: 1.4434348062026947
Energy: 1.4584084347657673
Energy: 1.4158438421049961
Energy: 1.44206079742887
Energy: 1.5940087872127995
Energy: 1.4549666345166856
Energy: 1.4553711174487791
Energy: 1.4392644633964822
Energy: 1.3845064419843747
Energy: 1.4554968014956917
Energy: 1.5366368464939786
Energy: 1.4259808762621216
Energy: 1.4245747332336538
Energy: 1.4413388307032902
Energy: 1.4357541160973424
Energy: 1.4241569026337413
Energy: 1.534583278264077
Energy: 1.4461233633694959
Energy: 1.4429592010460541
Energy: 1.4413926890076563
Energy: 1.4411580319369572
Energy: 1.4423656963314269
Energy: 1.5193320131781636
Energy: 1.4504149847251149
Energy: 1.4481310795745042
Energy: 1.4663795034560911
Energy: 1.443854195778163
Energy: 1.4593393604080709
Energy: 1.5604265793926029
Energy: 1.4423603580759288
Energy: 1.4444989646534736
Energy: 1.387560742698789
Energy: 1.419960967803092
Energy: 1.4450721752364408
Energy: 1.5330130954803225
Energy: 1.4521441808120357
Energy: 1.452017170197884
Energy: 1.4441068068107075
Energy: 1.460646520397634
Energy: 1.4194441751784157
Energy: 1.4857351154533094
Energy: 1.4519657974216313
Energy: 1.4520182355858375
Energy: 1.4205733502975324
Energy: 1.452245672037176
Energy: 1.4269128965457112
Energy: 1.4900331138874132
Energy: 1.4411768793288147
Energy: 1.4417412589563245
Energy: 1.4415317516851007
Energy: 1.4449023761283941
Energy: 1.4423738826237413
Energy: 1.4886473017047939
Energy: 1.4577220572333167
Energy: 1.4556096125692317
Energy: 1.4635647838954748
Energy: 1.4550613388538747
Energy: 1.4558076034310106
Energy: 1.4916481683053862
Energy: 1.437904807063491
Energy: 1.4394125072981583
Energy: 1.383969362292515
Energy: 1.4381778731852208
Energy: 1.3876429743949212
Energy: 1.5431225821963184
Energy: 1.4375973879828094
Energy: 1.4407830992702955
Energy: 1.3833846065842281
Energy: 1.438059502363956
Energy: 1.4406834224314191
Energy: 1.545022247320568
Energy: 1.4553849983692655
Energy: 1.4587094872182413
Energy: 1.4613549091802196
Energy: 1.4544818156636439
Energy: 1.458304553797984
Energy: 1.5235494171526542
Energy: 1.4515153464148547
Energy: 1.4531984593090943
Energy: 1.470008139147585
Energy: 1.4499656989639453
Energy: 1.448653851908052
Energy: 1.5425739087787185
Energy: 1.454882531183654
Energy: 1.4560368593060748
Energy: 1.4536074996437403
Energy: 1.4550733799374178
Energy: 1.4560234739489246
Energy: 1.560920536506216
Energy: 1.4745804409546817
Energy: 1.4720333912584314
Energy: 1.4663125496303862
Energy: 1.4706095692172239
Energy: 1.4706942580798383
Energy: 1.5587796551459554
Energy: 1.4539741780105664
Energy: 1.45322636108928
Energy: 1.4374365196398804
Energy: 1.4121951836826843
Energy: 1.4385053316514376

minimum gb energy = 1.3833846065842281 eV
minimum distance =  2.31290024482587 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 2.3284396524587105
Energy: 1.386977058239569
Energy: 1.3821474967383374
Energy: 1.3579410126429676
Energy: 1.3868596256453536
Energy: 1.3580954113776713
Energy: 1.5182221188346445
Energy: 1.3857390072840228
Energy: 1.3840423686124623
Energy: 1.3906279205742358
Energy: 1.3789966852448046
Energy: 1.383559452798801
Energy: 1.5185244657841714
Energy: 1.382932854558203
Energy: 1.3769309255417082
Energy: 1.3843123370000958
Energy: 1.3840504289330016
Energy: 1.3756196049302936
Energy: 1.4733498533192642
Energy: 1.3821066608662502
Energy: 1.3792438535091398
Energy: 1.3834929234650406
Energy: 1.3876139787079176
Energy: 1.3788891148887619
Energy: 1.4529751219586466
Energy: 1.3810676021561576
Energy: 1.381954084504155
Energy: 1.3804725457360845
Energy: 1.398636781977838
Energy: 1.386164233308357
Energy: 1.4688332175943637
Energy: 1.3832107558311035
Energy: 1.3807765713982256
Energy: 1.3819492354541258
Energy: 1.3876177968386392
Energy: 1.3804455044251187
Energy: 1.4905117418189928
Energy: 1.3789609450623315
Energy: 1.372428641762032
Energy: 1.3973901888920166
Energy: 1.3791501268725657
Energy: 1.3711547153447385
Energy: 1.4578061144373946
Energy: 1.3855594600624164
Energy: 1.3856075792423344
Energy: 1.378387597549928
Energy: 1.3850967193174055
Energy: 1.3850941608662297
Energy: 1.4432076014843283
Energy: 1.382843046802637
Energy: 1.3779386465210057
Energy: 1.3821956116514977
Energy: 1.3755003845929377
Energy: 1.3771194865970613
Energy: 1.4474986255320759
Energy: 1.3829066161285601
Energy: 1.3803105736618964
Energy: 1.3816550151000162
Energy: 1.3869191289459084
Energy: 1.3798096718581703
Energy: 1.4741032398894172
Energy: 1.3588789928831715
Energy: 1.3585506658349158
Energy: 1.3759375309207862
Energy: 1.3814216165278843
Energy: 1.364240743138644
Energy: 1.4976783204319202
Energy: 1.3841690906639574
Energy: 1.381613208706128
Energy: 1.400582969982486
Energy: 1.3784204382394538
Energy: 1.3815676784000135
Energy: 1.465423176414831
Energy: 1.3839792207979627
Energy: 1.3841380816980675
Energy: 1.3827101411028082
Energy: 1.3852269786267084
Energy: 1.3762386398429494
Energy: 1.4634659022176395
Energy: 1.3840727680534968
Energy: 1.3843035324289765
Energy: 1.3871235064746177
Energy: 1.3784357032892418
Energy: 1.3845678988277699
Energy: 1.4969779375944594
Energy: 1.3902780958468381
Energy: 1.3706103275296577
Energy: 1.3828165996017152
Energy: 1.390985841590059
Energy: 1.3827112987975052
Energy: 1.5189872857583935
Energy: 1.3825468543798793
Energy: 1.3798607511960017
Energy: 1.387853418062051
Energy: 1.380342443368293
Energy: 1.379225252093506
Energy: 1.4661494722556188
Energy: 1.3903523382883993
Energy: 1.3789090100243988
Energy: 1.3786061850446993
Energy: 1.3893786150932392
Energy: 1.3757567751815039
Energy: 1.5626310927496168
Energy: 1.3739006053913085
Energy: 1.3848222112731163
Energy: 1.3808486974346492
Energy: 1.3750445412722123
Energy: 1.3808051943051116
Energy: 1.5183201738506493
Energy: 1.3864568469212541
Energy: 1.3846632442029638
Energy: 1.3765162250112701
Energy: 1.3850844677226137
Energy: 1.384995658504384
Energy: 1.4710222657063081
Energy: 1.385834190133538
Energy: 1.3833716196425228
Energy: 1.3839673391383691
Energy: 1.3891922570033948
Energy: 1.3831511960115321
Energy: 1.4531306599596931
Energy: 1.374182881406479
Energy: 1.3744423846763485
Energy: 1.3838711314346417
Energy: 1.3748598965675607
Energy: 1.377997960556564
Energy: 1.4673530239008439
Energy: 1.3834735556336566
Energy: 1.3807000043327042
Energy: 1.3813478148148064
Energy: 1.3881556098565269
Energy: 1.3804154542611142
Energy: 1.4677444202887755
Energy: 1.3754329403947976
Energy: 1.3746390555240742
Energy: 1.3704417865345317
Energy: 1.3764590247588797
Energy: 1.3744191838504545
Energy: 1.4752936143353594
Energy: 1.3791640810522292
Energy: 1.3792726211389141
Energy: 1.3682929041544005
Energy: 1.3789488057565045
Energy: 1.3856986306803525
Energy: 1.442485240633708
Energy: 1.3854962306208167
Energy: 1.3827559551996593
Energy: 1.3897895350850573
Energy: 1.3902120689065396
Energy: 1.382698385986799
Energy: 1.443134925349008
Energy: 1.3855336982120496
Energy: 1.3828356227915688
Energy: 1.3812546905667187
Energy: 1.3902009670301456
Energy: 1.3824721940256826
Energy: 1.4736421884248811
Energy: 1.3806327230144595
Energy: 1.3788991430573148
Energy: 1.3740554637945988
Energy: 1.3821652441954702
Energy: 1.3803660387480636
Energy: 1.4968610034632164
Energy: 1.3829380231266453
Energy: 1.3813283280375346
Energy: 1.3833678589388032
Energy: 1.3853216708526386
Energy: 1.3854533095938117
Energy: 1.466562362233189
Energy: 1.382899540060305
Energy: 1.3834332625125239
Energy: 1.3786330085466254
Energy: 1.3837160353413613
Energy: 1.3836840101946748
Energy: 1.4687154955698434
Energy: 1.3775467402264623
Energy: 1.3770913221414198
Energy: 1.3777374052184783
Energy: 1.3798203591520173
Energy: 1.3809495533026124
Energy: 1.4957158490015314
Energy: 1.3853771559705368
Energy: 1.3832551124646635
Energy: 1.3829787415696102
Energy: 1.387071927439227
Energy: 1.3832976691594359
Energy: 1.5183918370316485
Energy: 1.384955654216143
Energy: 1.3818337442567838
Energy: 1.3911948469708915
Energy: 1.3877097430831724
Energy: 1.38122740942749
Energy: 1.4669953344047972
Energy: 1.381150373181591
Energy: 1.3685242891761695
Energy: 1.3786067148187815
Energy: 1.381294372491248
Energy: 1.3687060901765482

minimum gb energy = 1.3579410126429676 eV
minimum distance =  2.32947317535453 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.01526522646022992
Energy: 1.922086594455277
Energy: 0.0159798849815036
Energy: 0.01732226480515533
Energy: 1.9274444930182022
Energy: 0.028211343906991967
Energy: 0.5848882110884335
Energy: 0.14815697167191877
Energy: 0.1461708968047845
Energy: 0.14750747955442498
Energy: 0.14660196728165048
Energy: 0.1460873830369897
Energy: 2.398074537554681
Energy: 1.9280205334237892
Energy: 1.926620842155215
Energy: 1.9227694615560467
Energy: 1.9234250699715199
Energy: 1.9174779505573478
Energy: 0.016215376279176085
Energy: 0.14815697167105554
Energy: 0.14617089680434053
Energy: 0.14750747955442498
Energy: 0.14660196728251376
Energy: 0.14608738303654575

minimum gb energy = 0.01526522646022992 eV
minimum distance =  2.51758482264691 Angstroms
sigma value = 1