Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_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=3.653344042599202
cohesive_energy=3.2744465747796214
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=[1.5096861812724478e-19, 2.11802944484898e-19, 2.5767967022285396e-19, 2.95108118569728e-19, 3.2700104664613194e-19, 3.5425727554374e-19, 3.7781568077007597e-19, 3.9831232644883795e-19, 4.1672133597349793e-19, 4.3338717732036597e-19, 4.48095158820486e-19, 4.61056767789546e-19, 4.72445039304018e-19, 4.8239936273106e-19, 4.910431056714899e-19, 4.98512453139198e-19, 5.05018892449872e-19, 5.104839169484459e-19, 5.1497161370028e-19, 5.185412632408319e-19, 5.21242533045756e-19, 5.231218862374379e-19, 5.2422418376163e-19, 5.24583071327646e-19, 5.24195344582218e-19, 5.234391172109699e-19, 5.221493650205999e-19, 5.197509065995019e-19, 5.160322546319879e-19, 5.1073385650335e-19, 5.0354969647649395e-19, 4.941000586891619e-19, 4.819203119174939e-19, 4.6658427717684595e-19, 4.47276446560512e-19, 4.2309479462355e-19, 3.929145933688919e-19, 3.5530830341564396e-19, 3.09651075876546e-19, 2.5270010524438196e-19, 1.8124302736798198e-19, 9.164882934171178e-20, -2.1488072579881195e-20, -1.6644372179972398e-19, -3.52738412094708e-19, -5.970959836058519e-19, -9.21629678235624e-19, -1.3593571520574957e-18, -1.96825797310266e-18, -2.84253371874378e-18, -4.14992587385412e-18, -6.2097963068889e-18, -9.70465624216578e-18, -1.6327942294757398e-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: 0.012364439390574208
Energy: 0.7232107675212912
Energy: 0.013241397039325383
Energy: 0.012664214923770874
Energy: 0.722531447982484
Energy: 0.012846513337815675
Energy: 0.7232107675234065
Energy: 0.1414634164348786
Energy: 0.1416769664235017
Energy: 0.14275330188823113
Energy: 0.1416834815373883
Energy: 0.14195969471500702
Energy: 0.013241397041133626
Energy: 0.14167696642169345
Energy: 0.1417420489717059
Energy: 0.013462927067962838
Energy: 0.14155181902602193
Energy: 0.14180741735922112
Energy: 0.012664214923770874
Energy: 0.1427533018888453
Energy: 0.013462927067962838
Energy: 0.012621251491997403
Energy: 0.14226304021720243
Energy: 0.013033256984081214
Energy: 0.7225314479836782
Energy: 0.14168348153769533
Energy: 0.1415518190254078
Energy: 0.14226304021839659
Energy: 0.14200754845983013
Energy: 0.14174324639541333
Energy: 0.012846513338395676
Energy: 0.14195969471527997
Energy: 0.141807417358607
Energy: 0.013033256985309454
Energy: 0.1417432463951404
Energy: 0.013470134712153478

minimum gb energy = 0.012364439390574208 eV
minimum distance =  2.57885219001235 Angstroms
sigma value = 1


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

Energy: 1.949930032476137
Energy: 0.9700087401606958
Energy: 0.9540983812926177
Energy: 1.0956395974504702
Energy: 1.0262203078174472
Energy: 0.9627957504877078
Energy: 1.6634484451107945
Energy: 0.9775133953470376
Energy: 0.9777835873687422
Energy: 0.9770611977846148
Energy: 0.978595983986646
Energy: 0.977068769668201
Energy: 1.6356281670258443
Energy: 0.9864550986911378
Energy: 0.9783973190186251
Energy: 1.0217174030910545
Energy: 0.9593994598620503
Energy: 0.9776134135662177
Energy: 1.8319075909023574
Energy: 0.9644416966300607
Energy: 1.0276717226577479
Energy: 1.028139356145191
Energy: 0.9652626080241911
Energy: 1.0302350057454281
Energy: 1.6621326803502476
Energy: 0.9808041432813553
Energy: 0.9791592742423003
Energy: 0.9763806727103045
Energy: 0.982948505381783
Energy: 0.9779006102324204
Energy: 1.6356080736582046
Energy: 0.9787710232392399
Energy: 1.0233252630284027
Energy: 1.0220970297061285
Energy: 0.9801031676833051
Energy: 1.0224304197128407
Energy: 1.6328880107530068
Energy: 1.0245019161460103
Energy: 1.0221545986741907
Energy: 1.0217985035313875
Energy: 0.9783632770487434
Energy: 1.0218366805935917
Energy: 1.5214095980619036
Energy: 1.0200995625944393
Energy: 1.0201301264252634
Energy: 0.981836812703269
Energy: 1.0191645286791555
Energy: 1.0221408324510606
Energy: 1.3309498392342594
Energy: 1.0224578638315747
Energy: 1.0232607816338564
Energy: 0.9798221968865376
Energy: 1.022415858244479
Energy: 1.023605706039678
Energy: 1.3291988841186893
Energy: 0.9781231179316715
Energy: 0.9797483334099573
Energy: 0.9771552724536432
Energy: 0.9762436643863451
Energy: 0.9796652493837862
Energy: 1.2194892746404815
Energy: 1.0298423072800726
Energy: 1.0296177107859552
Energy: 0.9601460600107846
Energy: 1.0300547603715224
Energy: 1.0161133010838952
Energy: 1.0960516537641347
Energy: 0.9765021298908441
Energy: 0.976565078487985
Energy: 0.9810480067439383
Energy: 1.019508901363688
Energy: 0.9772001589830404
Energy: 1.0954463826387784
Energy: 0.9765096663192864
Energy: 0.9768071007896458
Energy: 0.9771500936310036
Energy: 0.9761228412548976
Energy: 0.9766597374461342
Energy: 1.1865140457624024
Energy: 0.9917415266080647
Energy: 0.9917783512883749
Energy: 0.961780960986076
Energy: 0.9905067098863557
Energy: 1.0038330857071704
Energy: 1.1646673751161587
Energy: 0.9786344530043106
Energy: 0.9782876854863971
Energy: 0.987953775734714
Energy: 0.9813944316888273
Energy: 0.9793945470905864
Energy: 1.1649779883281224
Energy: 1.022521319981421
Energy: 1.0228280957807183
Energy: 0.9599834648799526
Energy: 1.022419750547924
Energy: 1.0233756254409727
Energy: 1.532736187357639
Energy: 1.0210862550334179
Energy: 1.022218223576911
Energy: 0.9575726358629173
Energy: 1.0210683928766902
Energy: 1.026250915531652
Energy: 1.4956423311238463
Energy: 1.0242350599907428
Energy: 1.0242484545128285
Energy: 1.023271655967089
Energy: 1.0246597409704914
Energy: 1.024197989348368
Energy: 1.4937287347555066
Energy: 1.0230863025810153
Energy: 1.0244329827809435
Energy: 1.023953318267847
Energy: 1.0237288283976553
Energy: 1.0235033839262924
Energy: 0.8972119497480426
Energy: 1.0232903634908903
Energy: 1.0240906633356452
Energy: 1.0245845144303736
Energy: 1.023700075952524
Energy: 1.0232030873575593
Energy: 1.7063295953630373
Energy: 1.0022867937049664
Energy: 1.0241267711140767
Energy: 1.0205727311460833
Energy: 0.9606404811498106
Energy: 1.0231108990435136
Energy: 1.657867078292802
Energy: 0.9894749463236602
Energy: 1.0234891355830267
Energy: 1.0199522206769402
Energy: 0.9598398798316113
Energy: 1.0227854160181162
Energy: 1.719570368134067
Energy: 0.9778610262787334
Energy: 0.9773477841565698
Energy: 0.9298550252450861
Energy: 0.9792130311991888
Energy: 0.9772745350679443

minimum gb energy = 0.8972119497480426 eV
minimum distance =  2.3905406191844 Angstroms
sigma value = 33


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

Energy: 2.3839720590172986
Energy: 1.0693453960799608
Energy: 1.0311487028033732
Energy: 1.0529498823481311
Energy: 1.0658328145972986
Energy: 1.2691570405399477
Energy: 1.0477560323543182
Energy: 1.0833376738727836
Energy: 1.0698806759499555
Energy: 1.0674981366087801
Energy: 1.098766084694049
Energy: 1.0698825648491777
Energy: 1.2089117731226187
Energy: 1.0820444999561147
Energy: 1.0652703890153883
Energy: 1.1926294063798721
Energy: 1.0674322694415357
Energy: 1.067057211807157
Energy: 1.2010280179967414
Energy: 1.2264049641080277
Energy: 1.091128938141917
Energy: 1.214564746252741
Energy: 1.1014940058193834
Energy: 1.2155463934387285
Energy: 1.1926486846484394
Energy: 1.068412038329403
Energy: 1.0675575769282144
Energy: 1.1006215319343446
Energy: 1.0450541059563527
Energy: 1.0674205465594968
Energy: 1.1831703826895024
Energy: 1.0948071953165082
Energy: 1.0495113589367082
Energy: 1.2085076144442342
Energy: 1.0938801517191037
Energy: 1.0767920255431027
Energy: 1.1875517911169002
Energy: 1.21531621888107
Energy: 1.2093550551090024
Energy: 1.2097150631176234
Energy: 1.2174606216758475
Energy: 1.2096703355018499
Energy: 1.1985185416476387
Energy: 1.2074941322736208
Energy: 1.2090829273582702
Energy: 1.0752261797083973
Energy: 1.2077847380348659
Energy: 1.2091232931409
Energy: 1.2102891883114635
Energy: 1.2098610288606533
Energy: 1.2127570246061543
Energy: 1.2204665456697705
Energy: 1.209609277902383
Energy: 1.2110451528039305
Energy: 1.2083422065132337
Energy: 1.2004579242145919
Energy: 1.199530938202351
Energy: 1.20813351599057
Energy: 1.0542233949092712
Energy: 1.2030882167030779
Energy: 1.2554550469085175
Energy: 1.0861483441558337
Energy: 1.087798608302155
Energy: 1.180088597036022
Energy: 1.1354674923930224
Energy: 1.1385688258433078
Energy: 1.2237937304780104
Energy: 1.082666249985919
Energy: 1.2004493235314653
Energy: 1.215459156865474
Energy: 1.1444221029006918
Energy: 1.1978565327089137
Energy: 1.219116762621722
Energy: 1.1984125265423153
Energy: 1.197759407282221
Energy: 1.216191211276658
Energy: 1.2224587540642518
Energy: 1.198672642655982
Energy: 1.198318988604924
Energy: 1.2157775882965007
Energy: 1.2159970984751687
Energy: 1.1976465447761397
Energy: 1.215728536579883
Energy: 1.2183339074397017
Energy: 1.216202344638808
Energy: 1.216155891811911
Energy: 1.1952800525800509
Energy: 1.2190888142476293
Energy: 1.2129114249408914
Energy: 1.1963174480715486
Energy: 1.2208836112650345
Energy: 1.1973604910319362
Energy: 1.1973738675186445
Energy: 1.2181214356598415
Energy: 1.2002833750968076
Energy: 1.1928213886110797
Energy: 1.1966689970895779
Energy: 1.210012455067507
Energy: 1.2055584727043553
Energy: 1.1994464462138155
Energy: 1.2004124081908412
Energy: 1.200554651499959
Energy: 1.6553468463608285
Energy: 1.1982667468104142
Energy: 1.191725384866094
Energy: 1.2086482969099095
Energy: 1.1842207088338843
Energy: 1.2083279733395247
Energy: 1.1784094663122984
Energy: 1.3370108320197627
Energy: 1.1918777379251828
Energy: 1.2096058391994273
Energy: 1.3337391363199147
Energy: 1.191025427208064
Energy: 1.1683395093129842
Energy: 1.3302257364720496
Energy: 1.3267180073711324
Energy: 1.331771068866964
Energy: 1.327852764386524
Energy: 1.1991429272984182
Energy: 1.068622939389743
Energy: 1.2121671273758214
Energy: 1.078489049506455
Energy: 1.084193216741144
Energy: 1.19162857340693
Energy: 1.086085497240136
Energy: 1.0311517365619283
Energy: 1.3477135937521583
Energy: 1.197257003580495
Energy: 1.0820862010287202
Energy: 1.3502575735332274
Energy: 1.039612674438924
Energy: 1.5537616404511072
Energy: 1.1967807261665242
Energy: 1.198075621553886
Energy: 1.3318502042315183
Energy: 1.332083461038866
Energy: 1.3308020172645696
Energy: 1.1929748162382197
Energy: 1.0920068120285278
Energy: 1.049315792491154
Energy: 1.2110038584792664
Energy: 1.1951570991536107
Energy: 1.0812305402618474
Energy: 1.3314392102220247
Energy: 1.334853533574992
Energy: 1.3290326657561753
Energy: 1.333528770158301
Energy: 1.2046057336967269
Energy: 1.1987106089874544
Energy: 1.196366880527417
Energy: 1.2152992233706676
Energy: 1.1970848913448064
Energy: 1.1839388125162966
Energy: 1.2151586233912064
Energy: 1.2269680674275172
Energy: 1.2007111525414662
Energy: 1.2214443327426292
Energy: 1.219985018787053
Energy: 1.2023996615981862
Energy: 1.220804492868419
Energy: 1.1997667746483223
Energy: 1.2147729534989846
Energy: 1.2086135519440147
Energy: 1.2088388995804362
Energy: 1.1821722327660136
Energy: 1.2093956912563804
Energy: 1.191975532343643
Energy: 1.2069561414818601
Energy: 1.2084958337930818
Energy: 1.207976347831619
Energy: 1.2078538218077144
Energy: 1.2086787940951036
Energy: 1.1991811080243653
Energy: 1.218892725309406
Energy: 1.1991453658841114
Energy: 1.2035871688353228
Energy: 1.2014858655762517
Energy: 1.1973941014794394
Energy: 1.2007615552581947
Energy: 1.1875754593535686
Energy: 1.1415537897718606
Energy: 1.1382233589684272
Energy: 1.2205649741594704
Energy: 1.0834465227984926
Energy: 1.0859245678337428
Energy: 1.2126995026918725
Energy: 1.140379626956361
Energy: 1.1401752235998448
Energy: 1.2176331244387302
Energy: 1.0823981854798028
Energy: 1.197932009241619
Energy: 1.2211108237325452
Energy: 1.2108531077126543
Energy: 1.2060167731744278
Energy: 1.224256746924276
Energy: 1.1981216759066031
Energy: 1.1994550904191175
Energy: 1.2153617773919732
Energy: 1.2362348537260393
Energy: 1.234557717783374
Energy: 1.2222082791827957
Energy: 1.2107323051310732
Energy: 1.22640495423711
Energy: 1.2266068376750316
Energy: 1.2052686217631219
Energy: 1.2191799738780882
Energy: 1.1983888892130483
Energy: 1.210544626289283
Energy: 1.205146476368052
Energy: 1.2448185881665803
Energy: 1.0765481457196135
Energy: 1.2071002785039109
Energy: 1.2405447407678116
Energy: 1.2066649053394323
Energy: 1.0763143621118365
Energy: 1.226235335107722
Energy: 1.0874764833731407
Energy: 1.077090104250755
Energy: 1.080724171318272
Energy: 1.0784993453199148
Energy: 1.0811768922561074
Energy: 1.1941660960758307
Energy: 1.0420609712787559
Energy: 1.1028136006473654
Energy: 1.20942527094288
Energy: 1.0914055583344753
Energy: 1.206609718930575
Energy: 1.655282455498577
Energy: 1.0623442080963756
Energy: 1.0757030891647243
Energy: 1.2089183260618312
Energy: 1.0588434561475588
Energy: 1.2077499958370204
Energy: 1.1852856342808584
Energy: 1.0744303911085393
Energy: 1.0678436994032345
Energy: 1.0699469634932297
Energy: 1.0795368666549994
Energy: 1.0673103966996846
Energy: 1.199300596819917
Energy: 1.0752701237277642
Energy: 1.0796393823138954
Energy: 1.0829423840850876
Energy: 1.087559728997101
Energy: 1.199337016948623

minimum gb energy = 1.0311487028033732 eV
minimum distance =  2.27224330354409 Angstroms
sigma value = 51


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

Energy: 2.0052407303182833
Energy: 1.145067678550574
Energy: 1.1340922470476127
Energy: 1.0566788601193917
Energy: 1.117642498570113
Energy: 1.009133932217968
Energy: 1.041400448809175
Energy: 1.0998278957440264
Energy: 1.0985960298911086
Energy: 1.0394388667654566
Energy: 1.1167103491491561
Energy: 1.037824713320431
Energy: 1.737689984398369
Energy: 1.0917949076726383
Energy: 1.0914388579551637
Energy: 1.0362411267841891
Energy: 1.1126939272876664
Energy: 1.0973044703090507
Energy: 1.7375393528949057
Energy: 1.04070948789299
Energy: 1.0404489554829617
Energy: 1.0297258023848408
Energy: 1.0903988709982886
Energy: 1.0309498973500972
Energy: 1.5586305768677888
Energy: 1.036451876380728
Energy: 1.0369237898335797
Energy: 1.0407515003037178
Energy: 1.0365103496523662
Energy: 1.0366378227073945
Energy: 1.489552081641801
Energy: 1.0376459895177017
Energy: 1.0368959058162828
Energy: 1.0387314792145328
Energy: 1.0385043875273336
Energy: 1.0366704602814665
Energy: 1.4896876199060396
Energy: 1.0387560382061352
Energy: 1.0379163298591114
Energy: 1.0385374774357206
Energy: 1.0402608830107731
Energy: 1.0370161562821096
Energy: 1.2162754548775512
Energy: 0.9911153704814024
Energy: 0.9908263085247285
Energy: 1.164207842500314
Energy: 1.1538058273974605
Energy: 1.1381375791363357
Energy: 1.1686621187588502
Energy: 1.1228869184810932
Energy: 1.1234003799428067
Energy: 1.1144872390001002
Energy: 1.122650924988699
Energy: 1.0908869379132347
Energy: 1.1683826612770771
Energy: 1.0391825981435137
Energy: 1.0382496269116486
Energy: 1.1128774175608338
Energy: 1.039781772163217
Energy: 1.1004416522343086
Energy: 1.1690573805796618
Energy: 1.0625763054361002
Energy: 1.060527773656199
Energy: 1.11474261311165
Energy: 1.030538188982167
Energy: 1.05878400672601
Energy: 1.2644731945438406
Energy: 1.0383063455444606
Energy: 1.0391896368838334
Energy: 1.1213879807776803
Energy: 1.0321834165079324
Energy: 1.0370038487472661
Energy: 1.2638397092654243
Energy: 1.1604154214437172
Energy: 1.0976279708278909
Energy: 1.1128418386570542
Energy: 1.097845323806228
Energy: 1.0920450905175156
Energy: 1.2646935985651349
Energy: 1.0326873276759787
Energy: 1.0319447447984444
Energy: 1.0633090970911228
Energy: 1.0323075658836869
Energy: 1.0319071091595746
Energy: 1.6009495750175249
Energy: 1.0362317281006075
Energy: 1.0917306590002038
Energy: 1.0256824039465813
Energy: 1.0915993134564401
Energy: 1.0997633484026135
Energy: 1.60125788644982
Energy: 1.0959750474497614
Energy: 1.0953319764209155
Energy: 1.0296474040901509
Energy: 1.117183031712506
Energy: 1.0178162820393457
Energy: 1.570233880090613
Energy: 1.0910909996471683
Energy: 1.0954937998671217
Energy: 1.0405897841151786
Energy: 1.1126260705517257
Energy: 1.1011354880073079
Energy: 1.874677323173289
Energy: 1.0996238267046916
Energy: 1.024480823970429
Energy: 0.9936485668799095
Energy: 1.0376435492842773
Energy: 1.0237765791989692

minimum gb energy = 0.9908263085247285 eV
minimum distance =  2.40633382019271 Angstroms
sigma value = 19


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

Energy: 1.7160587763953359
Energy: 1.1321195416039433
Energy: 1.1605178487673786
Energy: 1.2353783752437253
Energy: 1.131554705623599
Energy: 1.1613485373817256
Energy: 1.405796690175303
Energy: 1.1315851987255425
Energy: 1.132275961807198
Energy: 1.1640521043080472
Energy: 1.1309990728576442
Energy: 1.1323807750680985
Energy: 1.7480743180496334
Energy: 1.1316842165869514
Energy: 1.1323391600636743
Energy: 1.1910755477483104
Energy: 1.1312369346765077
Energy: 1.132259540408429
Energy: 1.3972905476449742
Energy: 1.132404084204182
Energy: 1.1315643067490955
Energy: 1.175243073136878
Energy: 1.1323398171039512
Energy: 1.1314072191807174
Energy: 1.4063421850742075
Energy: 1.1323137682469406
Energy: 1.1642955323685185
Energy: 1.1147873800866082
Energy: 1.1318756671899195
Energy: 1.1632983909656796
Energy: 1.4040945596759844
Energy: 1.1021671648370268
Energy: 1.1628707004917218
Energy: 1.166021768818961
Energy: 1.1017779735598294
Energy: 1.163769747278107
Energy: 1.4055364119309541
Energy: 1.114076905577004
Energy: 1.1628247823201041
Energy: 1.1652215114205113
Energy: 1.112733366614441
Energy: 1.163517347542394
Energy: 1.2537649418033083
Energy: 1.1017606201246213
Energy: 1.1022808112193592
Energy: 1.1320277585562932
Energy: 1.1046151325414924
Energy: 1.1025650814870893
Energy: 1.1310367915625867
Energy: 1.1024901140414893
Energy: 1.1025379451736819
Energy: 1.1314819052413412
Energy: 1.102014800355035
Energy: 1.1020616823288039
Energy: 1.1303183184050711
Energy: 1.1644704255802907
Energy: 1.132323905620808
Energy: 1.1305141682913804
Energy: 1.164036872424808
Energy: 1.1321901068755496
Energy: 1.130374968565932
Energy: 1.1775868651700512
Energy: 1.1774791118436803
Energy: 1.1301482824025462
Energy: 1.177575111792451
Energy: 1.1316211933097033
Energy: 1.254672454055454
Energy: 1.1655787158953967
Energy: 1.163305702460518
Energy: 1.1314619774534393
Energy: 1.1662480359156258
Energy: 1.1322981241045456
Energy: 1.1023007551035369
Energy: 1.163610026276153
Energy: 1.1637854436533994
Energy: 1.1053895419501785
Energy: 1.1640324450194706
Energy: 1.1632073195562378
Energy: 1.2548337416703865
Energy: 1.1657969994892021
Energy: 1.1639048776648517
Energy: 1.1148463780239373
Energy: 1.166047332271481
Energy: 1.1648623715975577
Energy: 1.6812091123688317
Energy: 1.1322337077542879
Energy: 1.1326843597218725
Energy: 1.102554688807465
Energy: 1.131907311381929
Energy: 1.1022207192456182
Energy: 1.682211121613603
Energy: 1.113441767987969
Energy: 1.1028442272227625
Energy: 1.1031827392323537
Energy: 1.1322723273791213
Energy: 1.1025374048351362
Energy: 1.4060836291093863
Energy: 1.1312194321258486
Energy: 1.1320650164360633
Energy: 1.164390163573512
Energy: 1.130305062246296
Energy: 1.132335778264437
Energy: 1.3978897034852569
Energy: 1.1313321483620564
Energy: 1.132704289311711
Energy: 1.1750100594643673
Energy: 1.1310524409168075
Energy: 1.1323317979732797
Energy: 1.3992600816547862
Energy: 1.1320058403129516
Energy: 1.1325509177356747
Energy: 1.1748933124494687
Energy: 1.1313106065213536
Energy: 1.1330815097528424
Energy: 1.4059950670553498
Energy: 1.102105617695774
Energy: 1.1632291697112453
Energy: 1.1653101021301728
Energy: 1.1018990176505192
Energy: 1.1627289606593085
Energy: 1.4035583254673416
Energy: 1.1320808921591556
Energy: 1.164418967489409
Energy: 1.1649600959356836
Energy: 1.131492190320842
Energy: 1.163892790832266
Energy: 1.4065596146479336
Energy: 1.1622855323963717
Energy: 1.1630552795697375
Energy: 1.1315676363541483
Energy: 1.1126685672590217
Energy: 1.1633952425677097
Energy: 1.254705302306839
Energy: 1.1021560810879423
Energy: 1.10211870783253
Energy: 1.1308741048837805
Energy: 1.1015773424430306
Energy: 1.1022553556372434
Energy: 1.1307320659056166
Energy: 1.1324552671423949
Energy: 1.1326958104399074
Energy: 1.1308244445522495
Energy: 1.146852899689083
Energy: 1.1324791572313966
Energy: 1.1309058053803989
Energy: 1.1645491107520407
Energy: 1.1322710293919285
Energy: 1.1309417103030959
Energy: 1.191378883891706
Energy: 1.1323444515996244
Energy: 1.1125057822716664
Energy: 1.1754778686295213
Energy: 1.175089144838378
Energy: 1.1306959395936484
Energy: 1.1756912598604352
Energy: 1.1314133902447014
Energy: 1.4052344622135278
Energy: 1.1639068713897736
Energy: 1.164347749093283
Energy: 1.1315168982493884
Energy: 1.1654834532713043
Energy: 1.164212422859916
Energy: 1.1018921185823212
Energy: 1.164566973222143
Energy: 1.1644731950455318
Energy: 1.101879807192019
Energy: 1.1649987891043263
Energy: 1.162752948114276
Energy: 1.2546997733263394
Energy: 1.1643589688826996
Energy: 1.1642658648758875
Energy: 1.1117940750401538
Energy: 1.1650506838944563
Energy: 1.1625427534732846
Energy: 1.6811046067015032
Energy: 1.1322149743974328
Energy: 1.1022624958797995
Energy: 1.1037646241887153
Energy: 1.1327377553641496
Energy: 1.102987667985079

minimum gb energy = 1.1015773424430306 eV
minimum distance =  2.39551283766961 Angstroms
sigma value = 27


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

Energy: 1.4085439248148668
Energy: 0.9939915927325399
Energy: 0.8928064622018672
Energy: 1.0100750269709813
Energy: 0.994016580198194
Energy: 0.8943182020938792
Energy: 1.3119765960674759
Energy: 0.9375014865896997
Energy: 0.9377065379935482
Energy: 0.9376951148741657
Energy: 0.938374458410278
Energy: 0.937901042557903
Energy: 1.2288704136138597
Energy: 0.9932539976928244
Energy: 0.9376608632889212
Energy: 0.9375533725439417
Energy: 0.9377415628318231
Energy: 0.9383022864397325
Energy: 0.9775553653009953
Energy: 0.9369219054502972
Energy: 0.9376996694523702
Energy: 0.9385146719380261
Energy: 0.9383264806046684
Energy: 0.9392969213960846
Energy: 1.3125841164510126
Energy: 0.8929610595117748
Energy: 0.9395858857316001
Energy: 0.9375806073403281
Energy: 0.8932441881293948
Energy: 0.9392213451062432
Energy: 1.1025285744866753
Energy: 1.0209846221943826
Energy: 0.8930826320884658
Energy: 1.1014297440087304
Energy: 1.0204107609260178
Energy: 0.8924579889815076
Energy: 1.1016610876476758
Energy: 0.9387111052882464
Energy: 0.9381832771129195
Energy: 0.9387635825723216
Energy: 0.9737108561028154
Energy: 0.9375720475552917
Energy: 1.1580053549133742
Energy: 0.9682241616618308
Energy: 0.9380332818488374
Energy: 0.9894244982611103
Energy: 0.9675464263494259
Energy: 0.9371754176465693
Energy: 1.2299724965743444
Energy: 0.9374401050714105
Energy: 0.9786858128078516
Energy: 0.938019549505414
Energy: 0.9381718956198781
Energy: 0.9769425109776079
Energy: 1.033352676281916
Energy: 0.9384085300840841
Energy: 0.9378886175928522
Energy: 0.9928541303028054
Energy: 0.940031003190338
Energy: 0.9394770912668999
Energy: 1.2288568122817178
Energy: 1.0346846031819164
Energy: 1.0346099450809203
Energy: 0.9379153568556803
Energy: 1.0355543787994654
Energy: 0.9747688887834671
Energy: 1.143901561861075
Energy: 0.9379077710467552
Energy: 0.9377021879921026
Energy: 0.9378544525220722
Energy: 0.9384169790486999
Energy: 0.9378752218079014

minimum gb energy = 0.8924579889815076 eV
minimum distance =  2.43041256577506 Angstroms
sigma value = 9


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

Energy: 0.8486059356458305
Energy: 0.8665966633774618
Energy: 0.8678283547899177
Energy: 0.8810563048771097
Energy: 0.9069251472421167
Energy: 0.8831324076503717
Energy: 1.193823170490977
Energy: 0.8853307781027567
Energy: 0.8685451293692236
Energy: 0.8692412021584504
Energy: 0.8703114842721518
Energy: 0.8682564266016587
Energy: 1.0197565673579938
Energy: 0.8815523701039175
Energy: 0.8680401506077037
Energy: 0.8857410658999221
Energy: 0.8688815263121653
Energy: 0.8825485320860889
Energy: 1.0215129057879706
Energy: 0.8688597420016203
Energy: 0.8684132508381122
Energy: 0.878087324869789
Energy: 0.8684836356168188
Energy: 0.8673350226541
Energy: 0.8977874250986627
Energy: 0.8855435152922028
Energy: 0.8716700060869937
Energy: 0.8749429814021159
Energy: 0.8661240208771149
Energy: 0.8827270470068729
Energy: 0.9340707330407219
Energy: 0.8667713397198988
Energy: 0.8671682537165983
Energy: 0.8915509343861289
Energy: 0.8705857878330567
Energy: 0.8675522350699575
Energy: 0.9359336910775382
Energy: 0.8671439302616949
Energy: 0.8702406331940877
Energy: 0.9132690751785415
Energy: 0.8663580151295518
Energy: 0.8654363418617738
Energy: 0.9550910305312249
Energy: 0.8654148073116352
Energy: 0.8663695471994615
Energy: 0.8692966901961312
Energy: 0.8645818360272952
Energy: 0.8671770097699127
Energy: 1.2535321946006184
Energy: 0.886656181628789
Energy: 0.8688167615545902
Energy: 0.8656588659304986
Energy: 0.8669210089935544
Energy: 0.8684971813584538
Energy: 0.9125313257359209
Energy: 0.8670624472862895
Energy: 0.8659055500760406
Energy: 0.8645071040158309
Energy: 0.8686236309792986
Energy: 0.8629844492449406
Energy: 0.9126367475319648
Energy: 0.866900005139731
Energy: 0.8680197999550641
Energy: 0.8714430296733567
Energy: 0.8687306719517527
Energy: 0.8793974185217257
Energy: 1.2485702276538835
Energy: 0.8847852023806765
Energy: 0.8802451973430677
Energy: 0.8693189468530783
Energy: 0.8913857368431636
Energy: 0.883160020020532
Energy: 1.3622610968498332
Energy: 0.8853154607159399
Energy: 0.8908272920127277
Energy: 0.880730643754406
Energy: 1.0481018502636767
Energy: 0.8756244052613684
Energy: 1.2487042716071504
Energy: 0.87984421906355
Energy: 0.8812851468533117
Energy: 0.867186835602265
Energy: 0.8844258866804515
Energy: 0.8826395762875654
Energy: 0.931689613468659
Energy: 0.8552792001048511
Energy: 0.8551790896556838
Energy: 0.8663892385350386
Energy: 0.8550744717495411
Energy: 0.8747991857674219
Energy: 0.9319663180768192
Energy: 0.8664105949788911
Energy: 0.8831558688722213
Energy: 0.8663874398701046
Energy: 0.871202815889422
Energy: 0.8828720807736106
Energy: 0.9310257214973514
Energy: 0.8822750128864351
Energy: 0.8806323509621453
Energy: 0.8704943745623632
Energy: 0.8676727512047269
Energy: 0.8765904949747826
Energy: 1.0368523169704582
Energy: 0.8771499979855946
Energy: 0.8792117480430085
Energy: 0.8804149840383599
Energy: 0.8772427754722539
Energy: 0.8793989885924103
Energy: 1.0209447026516782
Energy: 0.8657304499108791
Energy: 0.8662897518771107
Energy: 0.867343869454263
Energy: 0.8675946087750906
Energy: 0.8670143629503009
Energy: 1.0198291175493481
Energy: 0.8654329492180821
Energy: 0.8666893978494734
Energy: 0.8657514121293278
Energy: 0.8665224590173339
Energy: 0.8693340688221278
Energy: 1.0220394775582875
Energy: 0.8806630627277852
Energy: 0.8807288220699441
Energy: 0.8803701689839927
Energy: 0.8831771402201519
Energy: 0.8666772724241919
Energy: 1.075162558692377
Energy: 0.8805546215284181
Energy: 0.8685593113954505
Energy: 0.8664855832970662
Energy: 0.8847224426814926
Energy: 0.8682393207311564
Energy: 1.2655496202642136
Energy: 0.8729691313420779
Energy: 0.87561220343683
Energy: 0.8671893775931996
Energy: 0.877101716461943
Energy: 0.8682550935222235
Energy: 0.8832964561566802
Energy: 0.8687363579385879
Energy: 0.8833804139130713
Energy: 0.8854643246728453
Energy: 0.8684425216491338
Energy: 0.8797146814299874
Energy: 1.2737891792112557
Energy: 0.8754890037160953
Energy: 0.8748897343760419
Energy: 0.8743882299484317
Energy: 0.8694978682103434
Energy: 0.8735907012135665
Energy: 0.8980309895399141
Energy: 0.8666627039230186
Energy: 0.8825182693639998
Energy: 0.8752386416519479
Energy: 0.8684878849836305
Energy: 0.8830012148429723
Energy: 1.169341303694633
Energy: 0.865852020775926
Energy: 0.8656287556176748
Energy: 1.0908078517801927
Energy: 0.8829862067742424
Energy: 0.8871726089189435
Energy: 0.9351757036473187
Energy: 0.8659227176333264
Energy: 0.8808043504733023
Energy: 0.9127368618574633
Energy: 0.8669289845357384
Energy: 0.8823031797500688
Energy: 0.9349258785779686
Energy: 0.8853286197591724
Energy: 0.880992900907129
Energy: 0.9114485961249144
Energy: 0.8668553852853509
Energy: 0.8694855505555801
Energy: 0.9654945072112965
Energy: 0.8753893909562779
Energy: 0.8659088608069623
Energy: 0.8686175175093801
Energy: 0.8715444539875068
Energy: 0.8657759391362817
Energy: 0.9128270870594344
Energy: 0.867122515560045
Energy: 0.8694094314859481
Energy: 0.8710394013683994
Energy: 0.8658686213602316
Energy: 0.8782753506069501
Energy: 0.9124779092918741
Energy: 0.8710057715217714
Energy: 0.86747964160912
Energy: 0.8756819544186031
Energy: 0.8709613240959624
Energy: 0.8626985759340743
Energy: 1.2520070553554377
Energy: 0.8792956915617469
Energy: 0.8655269300105405
Energy: 0.8653285099029163
Energy: 0.8831273006142689
Energy: 0.8657608293528948
Energy: 0.9975234855571946
Energy: 0.8819480278019516
Energy: 0.880350578384256
Energy: 0.8797785710946826
Energy: 0.8754011863508789
Energy: 0.866891749651951
Energy: 1.1158665896367033
Energy: 0.8804888755834492
Energy: 0.8814219056969643
Energy: 0.8702608323953105
Energy: 0.8881702895786255
Energy: 0.8822457486653896
Energy: 0.9873081175636417
Energy: 0.856171337464345
Energy: 0.8673918747672235
Energy: 0.8707596361047165
Energy: 0.8560654528533869
Energy: 0.8709048217781338
Energy: 0.933178959905239
Energy: 0.8786930643827362
Energy: 0.8652335940496804
Energy: 0.8685484196127792
Energy: 0.874656169132594
Energy: 0.8660515379980923
Energy: 0.9323734432735528
Energy: 0.8702898180211476
Energy: 0.868685541381789
Energy: 0.868360576442344
Energy: 0.8699923526927911
Energy: 0.8678210195392378
Energy: 0.9320239863171674
Energy: 0.8841588341069221
Energy: 0.8878040996690154
Energy: 0.8663608512506636
Energy: 0.8836908463472509
Energy: 0.8760007170386852
Energy: 1.0236204238141826
Energy: 0.8703342767402059
Energy: 0.8705097717643718
Energy: 0.8702154662917476
Energy: 0.8712676506551505
Energy: 0.8690546439208026
Energy: 1.0188025782580594
Energy: 0.8607990468371749
Energy: 0.8593630013561622
Energy: 0.8809075579790201
Energy: 0.8700355800881402
Energy: 0.8810030589407669
Energy: 1.021037625128588
Energy: 0.8657790048554408
Energy: 0.8669831904926673
Energy: 0.8858872083509058
Energy: 0.8660622617038871
Energy: 0.8799827522223217
Energy: 1.2649271013786665
Energy: 0.8734348644536978
Energy: 0.8743135772776273
Energy: 0.8682158849802689
Energy: 0.8866461108900212
Energy: 0.8679712365224351

minimum gb energy = 0.8486059356458305 eV
minimum distance =  2.39917535052007 Angstroms
sigma value = 57


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

Energy: 0.8113566915649177
Energy: 1.2982737318703301
Energy: 0.48375592450205296
Energy: 0.4838184951002978
Energy: 0.8151561459098015
Energy: 0.7270534324203815
Energy: 1.0212835382965764
Energy: 0.7958553671029116
Energy: 0.8030216952331604
Energy: 0.800796742914081
Energy: 0.7972433152090245
Energy: 0.8157525807530936
Energy: 1.0222934810010864
Energy: 0.890064835119785
Energy: 0.8033980099685818
Energy: 0.8042420786670258
Energy: 0.8969368064974329
Energy: 0.885645387441062
Energy: 1.0230939205604976
Energy: 0.8909477597907995
Energy: 0.89218333893546
Energy: 0.8943592135008647
Energy: 0.8956881364852236
Energy: 0.8883211794444441
Energy: 1.0208832429773302
Energy: 0.48489750717902086
Energy: 0.4834387300689279
Energy: 0.7941523343908348
Energy: 0.4842696071590119
Energy: 0.8968630455013303
Energy: 1.0954376004527415
Energy: 0.4822687478003828
Energy: 0.4846069601600215
Energy: 0.901398867395868
Energy: 0.4825141425451511
Energy: 0.4825827954177509
Energy: 1.0905421493351846
Energy: 0.8956311893202059
Energy: 0.8893166113129548
Energy: 0.8964344061659959
Energy: 0.8920881995671416
Energy: 0.8944704866437272
Energy: 1.0953414349892716
Energy: 0.9821821344090992
Energy: 0.8858823639964141
Energy: 1.0050991681204458
Energy: 0.888670338799784
Energy: 0.9976521476361867
Energy: 1.1247347818369489
Energy: 0.9728350006063834
Energy: 0.9791426027956592
Energy: 0.9859378158634252
Energy: 0.9817245119427032
Energy: 0.9796371071494947
Energy: 0.5238912644000296
Energy: 0.9912060935852809
Energy: 0.48243586333508265
Energy: 0.4837857747915252
Energy: 1.0010321790545837
Energy: 0.48319936612280334
Energy: 0.525128887538072
Energy: 0.9857837477782412
Energy: 0.9934505494437851
Energy: 0.4848375237322575
Energy: 0.996502941254641
Energy: 0.48355184200282314
Energy: 1.1266128827697313
Energy: 0.8844657771284945
Energy: 0.9768410659184915
Energy: 0.9913069903915247
Energy: 0.9973308679996009
Energy: 0.9787605747080876
Energy: 1.098001593240407
Energy: 0.8898751899207763
Energy: 0.9719858478233713
Energy: 0.9875078838676404
Energy: 0.8884825885327876
Energy: 0.884843216340067
Energy: 1.12538515694196
Energy: 0.8977718600680167
Energy: 0.8932727809293587
Energy: 0.8981882895952964
Energy: 0.8919706342061837
Energy: 0.8974291583815822
Energy: 1.1296336947673247
Energy: 0.48525438180553276
Energy: 0.481898044756035
Energy: 0.9152815007984995
Energy: 0.48249977419407275
Energy: 0.4824762559114325
Energy: 0.9883168745607528
Energy: 0.8916491200511814
Energy: 0.8975258134453744
Energy: 0.7955658507747929
Energy: 0.4878441976353724
Energy: 0.8909090607453648
Energy: 0.9867784503341636
Energy: 0.8867870125733749
Energy: 0.8886479988188604
Energy: 0.8889547246990525
Energy: 0.8897916365609055
Energy: 0.885117431893206
Energy: 1.0227297536983702
Energy: 0.891673631547882
Energy: 0.8042722211080691
Energy: 0.7979554162139731
Energy: 0.8021797024808593
Energy: 0.889528928545404
Energy: 0.8147602292804548
Energy: 0.814988005124133
Energy: 0.7998472911681037
Energy: 0.48567242007709793
Energy: 0.7965391555170628
Energy: 0.8116334984107924

minimum gb energy = 0.481898044756035 eV
minimum distance =  2.38571906116548 Angstroms
sigma value = 11


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

Energy: 1.4712955247483686
Energy: 1.5162635655518644
Energy: 0.8854679168258676
Energy: 0.681401552186673
Energy: 0.8383778007426888
Energy: 0.884008677128805
Energy: 0.7132276064067413
Energy: 0.6709027680673899
Energy: 0.6746799352944056
Energy: 0.668895443144176
Energy: 0.6694236541331021
Energy: 0.6740373820673611
Energy: 0.7290961843157296
Energy: 0.6687294550158206
Energy: 0.6709425522611472
Energy: 0.6669780146067897
Energy: 0.6678294219683696
Energy: 0.6711768315048571
Energy: 0.7281500837508237
Energy: 0.6696203527029388
Energy: 0.6696999886366671
Energy: 0.6666427071336688
Energy: 0.6669689612619896
Energy: 0.6700414243940828
Energy: 0.7131766587425726
Energy: 0.7780312107470913
Energy: 0.7806583202681314
Energy: 0.6665772365558603
Energy: 0.7779232021504822
Energy: 0.6709741173467069
Energy: 0.7578542028338282
Energy: 0.6766819585430682
Energy: 0.6757869227904982
Energy: 0.6645857052640555
Energy: 0.6719400997383219
Energy: 0.7803191130299368
Energy: 0.7676368418576439
Energy: 0.6705537279626315
Energy: 0.6707249405641902
Energy: 0.6679396276323726
Energy: 0.6683292424202633
Energy: 0.6700329906838812
Energy: 0.7354917471665466
Energy: 0.8196536425974218
Energy: 0.8213608320685414
Energy: 0.6662221285030173
Energy: 0.8180549344051651
Energy: 0.8298062264684418
Energy: 0.7659645799210726
Energy: 0.6676571370956169
Energy: 0.6691229288831396
Energy: 0.667368871115519
Energy: 0.6682146625724267
Energy: 0.6705454990554045
Energy: 1.0644530730019024
Energy: 0.673142624158154
Energy: 0.7822245616534402
Energy: 0.6729599933567532
Energy: 0.670091674449359
Energy: 0.6723008433338029
Energy: 1.1265739785118711
Energy: 0.7765417137952232
Energy: 0.7811833114022687
Energy: 0.7769490813023034
Energy: 0.7763759040155196
Energy: 0.7814440204721161
Energy: 0.9125834300791379
Energy: 0.6671549378707092
Energy: 0.6689481591839538
Energy: 0.816715111363118
Energy: 0.6710154378248834
Energy: 0.6711620131097105
Energy: 1.0793624474241308
Energy: 0.6676313732588384
Energy: 0.6702212225969166
Energy: 0.818844384872097
Energy: 0.6733122627611079
Energy: 0.6727089675231216
Energy: 0.9258712663364159
Energy: 0.8893662828360639
Energy: 0.8884091177544795
Energy: 0.7802012805093554
Energy: 0.8862475525136676
Energy: 0.887385069298716
Energy: 1.129594093020495
Energy: 0.6703841165638581
Energy: 0.6720404143138495
Energy: 0.7791127946129512
Energy: 0.6695196718669649
Energy: 0.7810461722698344
Energy: 1.125354426402941
Energy: 0.7810728745313646
Energy: 0.8875117317219828
Energy: 0.7783130311630667
Energy: 0.7779477354764307
Energy: 0.8876309269432652
Energy: 1.2538078164685345
Energy: 0.6874124409257899
Energy: 0.6706779521436012
Energy: 0.9818482308318554
Energy: 0.79409429005574
Energy: 0.6713640341880147
Energy: 1.4695887202898656
Energy: 0.778093415386503
Energy: 0.7801227610619639
Energy: 0.6679061504527901
Energy: 0.7778976106384758
Energy: 0.7788448527992528
Energy: 1.1305992237632736
Energy: 0.6707014057815823
Energy: 0.6697894227332367
Energy: 0.6672922138455205
Energy: 0.669724262608048
Energy: 0.669495623693189
Energy: 1.0056305712151308
Energy: 0.838882966676825
Energy: 0.8364960658667764
Energy: 0.8242363755723856
Energy: 0.8158860975833084
Energy: 0.8346565505059153
Energy: 1.1253916536373139
Energy: 0.7825749092556494
Energy: 0.7797299523123744
Energy: 0.7782157984549997
Energy: 0.8862258370408115
Energy: 0.778674142074968
Energy: 0.913695128254215
Energy: 0.672345597700667
Energy: 0.674006103294777
Energy: 0.7782385836261195
Energy: 0.6711336248117622
Energy: 0.8869606835030979
Energy: 0.7218055877611743
Energy: 0.7791780683044841
Energy: 0.7814762521786175
Energy: 0.6677975136062058
Energy: 0.6704658534193405
Energy: 0.7802419590094154
Energy: 0.8809754183545143
Energy: 0.6664750339497567
Energy: 0.6706511385116485
Energy: 0.8150162118406237
Energy: 0.6668761276059781
Energy: 0.8158204325034089
Energy: 0.8650844703175024
Energy: 0.6691533194964584
Energy: 0.6683509723916149
Energy: 0.8144389760092374
Energy: 0.66651595900297
Energy: 0.6671002925725269
Energy: 0.7859762060550937
Energy: 0.6679518459108349
Energy: 0.6710331192945059
Energy: 0.8811918081270218
Energy: 0.6660165236102915
Energy: 0.671300665460617

minimum gb energy = 0.6645857052640555 eV
minimum distance =  2.44220588064031 Angstroms
sigma value = 41


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

Energy: 1.6135694951538635
Energy: 0.7027756832729026
Energy: 0.7055462235635906
Energy: 1.2625216244176807
Energy: 0.70251897398126
Energy: 0.7344378224738811
Energy: 0.7603102678328862
Energy: 0.703482721368074
Energy: 0.702304400395957
Energy: 0.7061873262660001
Energy: 0.7044466903960672
Energy: 0.7026179852033545
Energy: 0.7582779246915311
Energy: 0.7043690932860264
Energy: 0.7039611871946679
Energy: 0.7037628576400973
Energy: 0.7042518469034942
Energy: 0.7041968848958622
Energy: 0.7586759298914773
Energy: 0.704441362984069
Energy: 0.7039769427972821
Energy: 0.7032409875647948
Energy: 0.7025276006579279
Energy: 0.7044284631496254
Energy: 0.7590869008992092
Energy: 0.714912336250175
Energy: 0.7148406420318534
Energy: 0.7063292420131105
Energy: 0.7151009531974174
Energy: 0.702306568566935
Energy: 0.8285520735717351
Energy: 0.7078318000773075
Energy: 0.7089370222364193
Energy: 0.7042542040157574
Energy: 0.7129664833815439
Energy: 0.7082894337708856
Energy: 0.8284704750976698
Energy: 0.7049374674679492
Energy: 0.7052793040362546
Energy: 0.7029389670119552
Energy: 0.701738730399639
Energy: 0.7036566336078199
Energy: 0.7902562576485899
Energy: 0.707299954833909
Energy: 0.7033339150058114
Energy: 0.7055358624349843
Energy: 0.7066563670145956
Energy: 0.7043240338269923
Energy: 0.8273193291753136
Energy: 0.702812032523223
Energy: 0.7018092031015406
Energy: 0.7027016410756185
Energy: 0.7020918314483575
Energy: 0.702886934620158
Energy: 1.2220385463761823
Energy: 0.7075657995004244
Energy: 0.7024939721149905
Energy: 0.710068345044826
Energy: 0.7076778071546124
Energy: 0.707205538155924
Energy: 0.8321521942215286
Energy: 0.7069325727386853
Energy: 0.7063305772539427
Energy: 0.7125508882731804
Energy: 0.7083312205993124
Energy: 0.7068181768986188
Energy: 0.8303335861113949
Energy: 0.7019936067871861
Energy: 0.7028071121507795
Energy: 0.7081261983286861
Energy: 0.7051714164131248
Energy: 0.7064166810138403
Energy: 0.76439062540303
Energy: 0.7041149605438356
Energy: 0.7033980744086396
Energy: 0.7079710711210104
Energy: 0.7047083362143224
Energy: 0.7040208690344888
Energy: 0.7672533011835929
Energy: 0.7020601594723617
Energy: 0.7016467589418786
Energy: 0.7029003097581761
Energy: 0.7026480316388183
Energy: 0.7014125656651676
Energy: 0.7696304047536838
Energy: 0.7023910584089316
Energy: 0.7022874065487479
Energy: 0.7054472521136911
Energy: 0.7270842730332124
Energy: 0.702633900056507
Energy: 0.761308475216433
Energy: 0.7034661811516476
Energy: 0.7029629920350304
Energy: 0.7075750193853766
Energy: 0.7015067007233359
Energy: 0.703572819669329
Energy: 1.6552891918277843
Energy: 0.6947483998095193
Energy: 0.7073864076429806
Energy: 1.192707477541752
Energy: 0.7037024792354377
Energy: 0.7137636064993652
Energy: 0.7894583567407639
Energy: 0.7046269949492444
Energy: 0.7031786875514563
Energy: 0.7063138164558793
Energy: 0.7087911798922322
Energy: 0.7062904881847256
Energy: 0.7589015602069684
Energy: 0.7025747365655145
Energy: 0.7021910859561765
Energy: 0.7072514285887522
Energy: 0.7033262998531716
Energy: 0.7044823616746365
Energy: 0.7584591720109366
Energy: 0.7047280681275881
Energy: 0.7033986564978366
Energy: 0.7046167927399629
Energy: 0.7035045724459754
Energy: 0.703134009756679
Energy: 0.7604571940257809
Energy: 0.7033694936669989
Energy: 0.7030813026634338
Energy: 0.7068942073910004
Energy: 0.7042173181625506
Energy: 0.702485701757856
Energy: 1.3083772110709928
Energy: 0.9291754887365632
Energy: 0.929201495999999
Energy: 0.7045383954607717
Energy: 0.9292182709445417
Energy: 0.9265319226092346
Energy: 0.8279979889437756
Energy: 0.7039870461944232
Energy: 0.7028064342384914
Energy: 0.7087543481943627
Energy: 0.7056862470264902
Energy: 0.702549401016378
Energy: 0.7902485787825924
Energy: 0.7387488009502882
Energy: 0.7390949777640122
Energy: 0.7103950065559899
Energy: 0.7049505515994625
Energy: 0.7054033420615132
Energy: 0.8289836043832353
Energy: 0.7046598579949803
Energy: 0.7035732509732541
Energy: 0.7011852649971636
Energy: 0.7014527666555082
Energy: 0.703198601297097
Energy: 0.8318258340683824
Energy: 0.7073091202840519
Energy: 0.7063874741692892
Energy: 0.7132188844787754
Energy: 0.7080233415817362
Energy: 0.7072351316690256
Energy: 0.8320936691379379
Energy: 0.7021679048030676
Energy: 0.7024416863622445
Energy: 0.7102517031226592
Energy: 0.7062073942496184
Energy: 0.7067600348083688
Energy: 0.8267537295588687
Energy: 0.7101089941481338
Energy: 0.7150107952564358
Energy: 0.7081965780522009
Energy: 0.7033982962859111
Energy: 0.7200056009692157
Energy: 0.765443902925141
Energy: 0.7050648191466737
Energy: 0.7517503559831072
Energy: 0.696553310831463
Energy: 0.7477674803244003
Energy: 0.7468538153025251
Energy: 0.7644451311422136
Energy: 0.6969342799080173
Energy: 0.7184155812541998
Energy: 0.7082470908972116
Energy: 0.704116267895119
Energy: 0.7191756945200743
Energy: 0.7689237712671544
Energy: 0.7020788557847631
Energy: 0.7026820489607903
Energy: 0.7054882752390348
Energy: 0.9358505039298771
Energy: 0.7026299397869672
Energy: 0.76214186629251
Energy: 0.7046516811563616
Energy: 0.7035544258366584
Energy: 0.7028989011340966
Energy: 0.7015223079896694
Energy: 0.7030456671690236
Energy: 0.8768965958953083
Energy: 0.7046176622582847
Energy: 0.7068494856426139
Energy: 0.7127199835456431
Energy: 0.7058664034904789
Energy: 0.7053295745041099

minimum gb energy = 0.6947483998095193 eV
minimum distance =  2.43050231616838 Angstroms
sigma value = 33


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

Energy: 0.9540366290630587
Energy: 0.7459275403102765
Energy: 0.7531028748810218
Energy: 0.8194685361334134
Energy: 0.7497227737116717
Energy: 0.7532998925660634
Energy: 0.8104589159633558
Energy: 0.7519522571750719
Energy: 0.7500243407088103
Energy: 0.7558082270131278
Energy: 0.7539626129480148
Energy: 0.7484487169439272
Energy: 0.8090955272117467
Energy: 0.7504318309779185
Energy: 0.7565882499186443
Energy: 0.7558965877053624
Energy: 0.7510330891570044
Energy: 0.7531111725476922
Energy: 0.8110365007633474
Energy: 0.7524552222121246
Energy: 0.7553477739657795
Energy: 0.755678363539012
Energy: 0.7516898336713291
Energy: 0.7510673132081918
Energy: 0.8093433230630845
Energy: 0.7597899392391977
Energy: 0.7594063750276147
Energy: 0.7513146013333598
Energy: 0.7646979399796909
Energy: 0.7600828986176367
Energy: 0.8062320224747619
Energy: 0.7651188580803487
Energy: 0.7582990418147317
Energy: 0.7479164863942744
Energy: 0.7670224836036885
Energy: 0.7630037254930481
Energy: 0.8648004058924365
Energy: 0.7691681090763914
Energy: 0.7686457210247054
Energy: 0.7534085540800753
Energy: 0.7698025445518462
Energy: 0.7509926521325541
Energy: 0.8504893881574447
Energy: 0.7651840071651792
Energy: 0.8115041120897644
Energy: 0.7491229051677226
Energy: 0.765521383536809
Energy: 0.8155140926650533
Energy: 0.8645994296161765
Energy: 0.7701902248098087
Energy: 0.776552174996653
Energy: 0.7621216365369955
Energy: 0.763449347209755
Energy: 0.7771976678173971
Energy: 0.8686449779852984
Energy: 0.7736395575412854
Energy: 0.7740024140344142
Energy: 0.7518940586572412
Energy: 0.7656042633425291
Energy: 0.7746616141919623
Energy: 0.8655771594820187
Energy: 0.7713181100881241
Energy: 0.7706583494864585
Energy: 0.7579175172325924
Energy: 0.770393048635226
Energy: 0.751539820921633
Energy: 0.8652593297228314
Energy: 0.7519766784323203
Energy: 0.7707336889942313
Energy: 0.7546543305541938
Energy: 0.7542680253891725
Energy: 0.7565621095330262
Energy: 0.8066633630366996
Energy: 0.7528342296414721
Energy: 0.7545088024555273
Energy: 0.7529984221028263
Energy: 0.7521617918041758
Energy: 0.7548869089465527
Energy: 0.8096755950271121
Energy: 0.7546516238352416
Energy: 0.7533775245199933
Energy: 0.7545049510441566
Energy: 0.7566294967379287
Energy: 0.7537502222487408
Energy: 0.7728358468748362
Energy: 0.7538311750850768
Energy: 0.7533698459583643
Energy: 0.7550043059093092
Energy: 0.753367165040171
Energy: 0.7521538600626043
Energy: 0.8130970134364782
Energy: 0.7580142634118392
Energy: 0.7545989508976914
Energy: 0.7549086411713941
Energy: 0.7567220050234081
Energy: 0.7522644421817744
Energy: 0.8717955884978315
Energy: 0.7535334113322768
Energy: 0.7776747633773677
Energy: 0.7693977527695013
Energy: 0.7471475778068054
Energy: 0.7779413360028646
Energy: 0.8700579636881535
Energy: 0.7506146496262752
Energy: 0.7778247074852636
Energy: 0.7652738846273486
Energy: 0.7532061821043592
Energy: 0.7800124135505635
Energy: 0.881065107555924
Energy: 0.7542960175762908
Energy: 0.7598375429314277
Energy: 0.7568980133655225
Energy: 0.7579843891559762
Energy: 0.7734383289951395
Energy: 0.7824048566233707
Energy: 0.7635404547857998
Energy: 0.7505456914909785
Energy: 0.7631977345610674
Energy: 0.7590347061455287
Energy: 0.7732969518861238
Energy: 0.780899770531034
Energy: 0.7694296301658214
Energy: 0.7692738527966889
Energy: 0.7623393703834883
Energy: 0.7689758820533431
Energy: 0.7692387360184277
Energy: 0.7843301079330338
Energy: 0.7647057979087265
Energy: 0.7608907073301424
Energy: 0.7648467009925691
Energy: 1.15520742959009
Energy: 0.7585103093784731
Energy: 0.8109607024021873
Energy: 0.7524877396534196
Energy: 0.7517191314891638
Energy: 0.7717879722052775
Energy: 0.7533469869357902
Energy: 0.7690577896061586
Energy: 0.8655667363688074
Energy: 0.7486679465678028
Energy: 0.7491646541018183
Energy: 1.5583981449213964
Energy: 0.7511361514773376
Energy: 0.7490764404364433
Energy: 0.861278994794852
Energy: 0.7490585780569831
Energy: 0.7495586798590224
Energy: 0.7714148414679174
Energy: 0.7539858716621747
Energy: 0.7543184141610719
Energy: 0.8114210733920729
Energy: 0.7523996040326827
Energy: 0.7490903450684514
Energy: 0.7572573036025406
Energy: 0.7534340958841041
Energy: 0.7499007889784199
Energy: 0.8093390038931653
Energy: 0.751328685261249
Energy: 0.755802213105664
Energy: 0.7580464749047263
Energy: 0.7516469809352638
Energy: 0.7534609649315216
Energy: 0.8090111328749533
Energy: 0.7553927289989678
Energy: 0.7527412271775986
Energy: 0.7532446995268743
Energy: 0.7665243026548619
Energy: 0.7644803136942475
Energy: 0.805605129901212
Energy: 0.7694900573879482
Energy: 0.7722674080228777
Energy: 0.7465465100035339
Energy: 0.7681532576725226
Energy: 0.771805373139997
Energy: 0.864162269517074
Energy: 0.7695187710347424
Energy: 0.7689792548876916
Energy: 0.7592476342590448
Energy: 0.7702864046791557
Energy: 0.7513801660519684
Energy: 0.8511484098379356
Energy: 0.7604126719256717
Energy: 0.8110470814984795
Energy: 0.751502471629323
Energy: 0.7647775070454953
Energy: 0.7537117717212725
Energy: 0.8651122303772582
Energy: 0.7705518726993646
Energy: 0.7700719302912643
Energy: 0.7682490247696739
Energy: 0.7687696899006441
Energy: 0.7690200415119456
Energy: 0.8672658481610672
Energy: 0.772180088476504
Energy: 0.7739847491142496
Energy: 0.7549855685442731
Energy: 0.7713850730447902
Energy: 0.7733934389723957
Energy: 0.866952560111698
Energy: 0.7734657890228811
Energy: 0.773271190242121
Energy: 0.7550686243251955
Energy: 0.7653624538695825
Energy: 0.751553201158954
Energy: 0.8653900373666504
Energy: 0.7701338721943175
Energy: 0.7772655502622369
Energy: 0.7518682469178553
Energy: 0.752959281402922
Energy: 0.7785883028916182
Energy: 0.8058572752592383
Energy: 0.7510769028222545
Energy: 0.7528142746141141
Energy: 0.7497472366580192
Energy: 0.7528808054566184
Energy: 0.75124606903543
Energy: 0.8075314793017843
Energy: 0.7515782511006777
Energy: 0.751047918826923
Energy: 0.7554769016868118
Energy: 0.7538996823658258
Energy: 0.750553524886805
Energy: 0.8342186208218175
Energy: 0.7529792595219105
Energy: 0.7522435300126428
Energy: 0.8234179349081356
Energy: 0.7530925223084849
Energy: 0.7509946538854184
Energy: 0.8095776965706875
Energy: 0.7515667281708448
Energy: 0.7495523261452314
Energy: 0.7599523548013076
Energy: 0.7533598313378295
Energy: 0.7479288114537203
Energy: 0.8705164302049411
Energy: 0.7533842743734089
Energy: 0.7540217175450258
Energy: 0.7670649639862394
Energy: 0.7482801444095004
Energy: 0.7563701019013258
Energy: 0.8708219247445094
Energy: 0.7598812669500542
Energy: 0.7782184129950837
Energy: 0.7636310159492081
Energy: 0.7506699438794274
Energy: 0.770601406195218
Energy: 0.8103019376115225
Energy: 0.7619421301862974
Energy: 0.7518710561320254
Energy: 0.7635229647906648
Energy: 0.7569001171773169
Energy: 0.7702329719105413
Energy: 0.7840244515916612
Energy: 0.7555198830323319
Energy: 0.7533518702136942
Energy: 0.7662778377761366
Energy: 0.7558804743401809
Energy: 0.751127538045641
Energy: 0.7842546897379947
Energy: 0.7694289912748896
Energy: 0.7773901734232721
Energy: 0.7619057545230472
Energy: 0.7691649111873465
Energy: 0.7788720614196342
Energy: 0.7844777706737388
Energy: 0.7577412989756275
Energy: 0.7656549236235443
Energy: 0.7655799227067669
Energy: 1.0035254103710072
Energy: 0.7651431863170761
Energy: 0.8108548045778848
Energy: 0.7514023711310673
Energy: 0.7510234947261651
Energy: 0.7712056930419107
Energy: 0.7601624359767623
Energy: 0.7510079281207435
Energy: 0.8458323252199772
Energy: 0.753349691706484
Energy: 0.7512212467609586
Energy: 0.7540932009574318
Energy: 0.7502620461959588
Energy: 0.7532208443337385

minimum gb energy = 0.7459275403102765 eV
minimum distance =  2.43619431753783 Angstroms
sigma value = 67


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

Energy: 1.2878302794430327
Energy: 0.801784844124557
Energy: 0.9073245077304612
Energy: 0.9071613161598787
Energy: 0.8384765398326693
Energy: 0.9080911886468616
Energy: 0.9014446004363939
Energy: 0.8295611401035924
Energy: 0.8287342909958688
Energy: 0.8286230714251835
Energy: 0.8294320245039478
Energy: 0.8298786950985948
Energy: 0.8497636391442582
Energy: 0.7982832775037217
Energy: 0.7827585382277437
Energy: 0.7851185256109654
Energy: 0.7970038210469985
Energy: 0.7837879061986104
Energy: 0.8473247092021687
Energy: 0.7830396908685107
Energy: 0.7829258854187392
Energy: 0.7840970699461034
Energy: 0.7828562617972765
Energy: 0.7832054671001587
Energy: 0.9004314247451319
Energy: 0.8330106708990173
Energy: 0.8336492056784467
Energy: 0.8323992802236984
Energy: 0.8310571605959594
Energy: 0.8338005528162326
Energy: 0.9017657036576645
Energy: 0.8095830922055564
Energy: 0.8350768477202396
Energy: 0.833670607079374
Energy: 0.8105250759591662
Energy: 0.838131332079665
Energy: 0.9089596369042174
Energy: 0.8297268451926061
Energy: 0.8290779202719177
Energy: 0.8018794009348682
Energy: 0.8295019375830724
Energy: 0.828735941351302

minimum gb energy = 0.7827585382277437 eV
minimum distance =  2.44145158445788 Angstroms
sigma value = 3


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

Energy: 1.1723475721601426
Energy: 0.892135111402232
Energy: 0.8364501741820695
Energy: 0.947693692180941
Energy: 1.1276555164890547
Energy: 0.8424751497206774
Energy: 0.901963646143066
Energy: 0.9185693703169849
Energy: 0.8955236932360643
Energy: 0.8891012244177684
Energy: 0.9178616635629294
Energy: 0.8926816465433607
Energy: 0.9560152181857231
Energy: 0.9313186309321939
Energy: 0.9280576864097185
Energy: 0.9196840413026002
Energy: 0.9274222780054673
Energy: 0.9272240778789642
Energy: 0.9019876026334301
Energy: 0.8932768450731647
Energy: 0.8933227669812449
Energy: 0.888279047098385
Energy: 0.8847546996279301
Energy: 0.8946488112905281
Energy: 0.8833466079882585
Energy: 0.8446669788128796
Energy: 0.8582553633682859
Energy: 0.8478623105296051
Energy: 0.8445028531875628
Energy: 0.8546356783075232
Energy: 0.9274097874572501
Energy: 0.8569797964359309
Energy: 0.8517992449876286
Energy: 0.8799910231365239
Energy: 0.8892846530798244
Energy: 0.8730429682171575
Energy: 0.8820421152875915
Energy: 0.8448428996189763
Energy: 0.8433013429177705
Energy: 0.8523279201984549
Energy: 0.8553050237864901
Energy: 0.8417196490609585
Energy: 1.1295388919332021
Energy: 0.9068192990554317
Energy: 0.9131641614782704
Energy: 0.9395415875404174
Energy: 0.9045306210726584
Energy: 0.9224198792957465
Energy: 0.8813725223794382
Energy: 0.9095926869507914
Energy: 0.9069614086510362
Energy: 0.8539143927472291
Energy: 0.8572620227208074
Energy: 0.9067407507189935
Energy: 0.9287927253687465
Energy: 0.9377342712098251
Energy: 0.935077827033793
Energy: 0.924425828789067
Energy: 0.9375579247478546
Energy: 0.9303257780589095
Energy: 0.9350655562251621
Energy: 0.8245930210141086
Energy: 0.8877236106653278
Energy: 0.8515299188076333
Energy: 0.8266940621215719
Energy: 0.8481743787562319
Energy: 0.9416473210159966
Energy: 0.8488170599248402
Energy: 0.8502704665204642
Energy: 0.8438479573163989
Energy: 0.8409351959888772
Energy: 0.8533914702619252
Energy: 0.9103537875779862
Energy: 0.8777725217374301
Energy: 0.8417564402547556
Energy: 0.8256670168644291
Energy: 0.8768561120899249
Energy: 0.8461553676348462
Energy: 1.0323014469735057
Energy: 1.0162804922022521
Energy: 1.015990113953575
Energy: 0.9062527445487281
Energy: 0.886413217805159
Energy: 0.9089823972756682
Energy: 1.0102378992499366
Energy: 0.9278746677659018
Energy: 0.9276966949663247
Energy: 0.8843866356723142
Energy: 0.9415607301263111
Energy: 0.9168411500110658
Energy: 1.0076050914656738
Energy: 0.8830602465443844
Energy: 0.8883905736790901
Energy: 0.8925920716916644
Energy: 0.9056327387189647
Energy: 0.8964029897684107
Energy: 1.003191539619864
Energy: 0.9427551510908528
Energy: 0.9338608181809573
Energy: 0.8897173050349013
Energy: 0.9456337705958052
Energy: 0.9120680200998218
Energy: 1.065910027869624
Energy: 0.9086775497692455
Energy: 0.9135581716923566
Energy: 0.9130444024317714
Energy: 0.916915548481907
Energy: 0.9067797585300759
Energy: 1.051167755431527
Energy: 0.8977725241403911
Energy: 0.8948978376517837
Energy: 0.9263098911962225
Energy: 0.9106060359977638
Energy: 0.9253512027395839
Energy: 0.9830471785477539
Energy: 0.8947285411340393
Energy: 0.893306000455194
Energy: 0.9482298691767689
Energy: 0.9123794989926653
Energy: 0.9235249288585153
Energy: 0.8950870560857167
Energy: 0.8237803907169835
Energy: 0.8266535370346165
Energy: 0.8284325495980142
Energy: 0.8343440259049124
Energy: 0.8275817104204096
Energy: 0.8987212455440496
Energy: 0.8241459448335593
Energy: 0.822884683853394
Energy: 0.8240622420353156
Energy: 0.821026534559423
Energy: 0.8233409852525687
Energy: 0.8917121567303439
Energy: 0.8282576333293523
Energy: 0.82761109363524
Energy: 0.8366545021628884
Energy: 0.8342198891247145
Energy: 0.8295608231577164
Energy: 0.9260379769372755
Energy: 0.9390032764442768
Energy: 0.9409783862652821
Energy: 0.8770643002355374
Energy: 0.9338156441964456
Energy: 0.9290424499360359
Energy: 0.9345592801133907
Energy: 0.8955545278817587
Energy: 0.9045021893447427
Energy: 0.8860242302645398
Energy: 0.9083900537266536
Energy: 0.8981189759881019
Energy: 1.0672169219868282
Energy: 0.9077157087587004
Energy: 0.870553034124912
Energy: 0.8779963976184594
Energy: 0.9135593301598508
Energy: 0.8671702051564695
Energy: 0.9243969209140429
Energy: 0.9080855657858118
Energy: 1.0223848987379494
Energy: 0.8838184889871179
Energy: 0.913856996570452
Energy: 0.8676865135095922
Energy: 0.9271097219802029
Energy: 0.9096980146843641
Energy: 0.9077253885386052
Energy: 0.8829913843033036
Energy: 0.8916979115329773
Energy: 0.8941951594103339
Energy: 0.9547738081613799
Energy: 0.9316953020346511
Energy: 0.9316839625671476
Energy: 0.9283979513983335
Energy: 0.929031337647122
Energy: 0.9238555895718339
Energy: 1.0193993933718388
Energy: 0.8515054284268584
Energy: 0.8489723962369228
Energy: 0.981859195639428
Energy: 0.8273045374606272
Energy: 0.8462507543163775
Energy: 0.9299159306115005
Energy: 0.8731742099411502
Energy: 0.8769034037539527
Energy: 0.8797203651076129
Energy: 0.8756065050050331
Energy: 0.8743662360751843
Energy: 0.8826914276028563
Energy: 0.8534614772951363
Energy: 0.8516637452857803
Energy: 0.8563932295373198
Energy: 0.8548308086599052
Energy: 0.8471204184397809
Energy: 1.0278301980525189
Energy: 0.9073981329302271
Energy: 0.9091513724421962
Energy: 0.9461178705899308
Energy: 0.9071014663034427
Energy: 0.9428513564769665
Energy: 1.0759788383061548
Energy: 0.8628862351254246
Energy: 0.8495738018336585
Energy: 0.9069445251012311
Energy: 0.8466989861037465
Energy: 0.9290223747139756
Energy: 0.884765833703983
Energy: 0.874723098297949
Energy: 0.8672209232584014
Energy: 0.8593083551217225
Energy: 0.8871165577391923
Energy: 0.8493256202160143
Energy: 0.9334058896282217
Energy: 0.9364416082200709
Energy: 0.9350113388492418
Energy: 0.8438988035587084
Energy: 0.9394108778797013
Energy: 0.9304415913642656
Energy: 0.93792036789372
Energy: 0.8389100942804922
Energy: 0.8422493993296646
Energy: 0.8494010754266892
Energy: 0.8422680524428968
Energy: 0.845428897747253
Energy: 0.9116628288953835
Energy: 0.8750750979052783
Energy: 0.8753380149780123
Energy: 0.8415897879889392
Energy: 0.873484556747616
Energy: 0.8762506006551964
Energy: 0.8926145803299798
Energy: 0.842753032540692
Energy: 0.8447104110881788
Energy: 0.9777030809083126
Energy: 0.8586930702033774
Energy: 0.8494001236117589
Energy: 0.9442259956566613
Energy: 0.9216310518993153
Energy: 0.9327307447143218
Energy: 0.8813076552417859
Energy: 0.9194665331204399
Energy: 0.9242921304885395
Energy: 1.0029195526106576
Energy: 0.8842371803676372
Energy: 0.8980201672510837
Energy: 0.8942639780071422
Energy: 0.8926809386953781
Energy: 0.8949101922923007
Energy: 1.003237559864028
Energy: 0.856466068736282
Energy: 0.857623810278528
Energy: 0.8947555368643226
Energy: 0.9090461739421037
Energy: 0.8967475223601504
Energy: 1.0653209474810406
Energy: 0.9386261811111275
Energy: 0.9294007770421259
Energy: 0.906316451178675
Energy: 0.9439289276040332
Energy: 0.9170225358851252
Energy: 1.0700522673789006
Energy: 0.8906073520634957
Energy: 0.8954403624710273
Energy: 0.9140010865829282
Energy: 0.888120309810671
Energy: 0.9004833839268308
Energy: 1.0900719690808673
Energy: 0.941966723217253
Energy: 0.9306794465180164
Energy: 0.9628296758026791
Energy: 0.9433597513953224
Energy: 0.9311427383490867
Energy: 0.8922105904118101
Energy: 0.8288312187674469
Energy: 0.8286158769973204
Energy: 0.8343398904494999
Energy: 0.8330192494166618
Energy: 0.8282712629192975
Energy: 0.8928961719165992
Energy: 0.836338121762257
Energy: 0.8358590106194772
Energy: 0.8270821691212078
Energy: 0.8278813850651586
Energy: 0.8356053156003331
Energy: 0.8941727615949553
Energy: 0.8346624369027381
Energy: 0.8299073249785568
Energy: 0.8335169023044597
Energy: 0.8322962900032012
Energy: 0.8300142662002946
Energy: 0.9706099254572994
Energy: 0.9039035876336933
Energy: 0.8941338063512253
Energy: 0.90683323662001
Energy: 0.8984360212964518
Energy: 0.8949943925861432
Energy: 0.9547253243332897
Energy: 0.9030131643077498
Energy: 0.9105997320790677
Energy: 0.9282030622072982
Energy: 0.9505205257005744
Energy: 0.8946139238086562
Energy: 0.887253818731475
Energy: 0.8461845704521906
Energy: 0.8917957944579447
Energy: 0.8725811143263994
Energy: 0.8461473447113436
Energy: 0.8859185604136574

minimum gb energy = 0.821026534559423 eV
minimum distance =  2.41235803184109 Angstroms
sigma value = 81


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

Energy: 1.8893414599381717
Energy: 1.15056753036177
Energy: 0.8781454226498201
Energy: 0.9185226719102026
Energy: 1.1560770991829747
Energy: 0.8792229866714188
Energy: 0.8943708141421014
Energy: 0.8356809614642327
Energy: 0.8345771327489538
Energy: 0.8634651707622822
Energy: 0.8337091072244179
Energy: 0.8489321075040404
Energy: 0.9012371957217726
Energy: 0.7980429200110678
Energy: 0.7987114238898824
Energy: 0.8667157981654184
Energy: 0.7969847078240729
Energy: 0.8741292225026279
Energy: 0.8901959530468967
Energy: 0.7971914339232149
Energy: 0.9430925753561695
Energy: 0.86088667018573
Energy: 0.7972856013138411
Energy: 0.8547176098943515
Energy: 0.9028671004334347
Energy: 0.8685973008131479
Energy: 0.8746800560022107
Energy: 0.8762217106744719
Energy: 0.8691801847981168
Energy: 0.8763237911043192
Energy: 0.9314846206622034
Energy: 0.8666530368811733
Energy: 0.8714422116903863
Energy: 0.8282892006377381
Energy: 0.8701272291107452
Energy: 0.8730006841033674
Energy: 0.901992646924033
Energy: 0.8682215876462382
Energy: 0.8701298062889927
Energy: 0.8727698842441076
Energy: 0.8629412114256632
Energy: 0.8695903400889312
Energy: 1.1017933509508513
Energy: 0.8995466227300059
Energy: 0.9000271826789081
Energy: 0.9091325012424863
Energy: 0.9232951741976791
Energy: 0.9254949714491014
Energy: 0.8947761024017584
Energy: 0.910381885111561
Energy: 0.9232163009650527
Energy: 0.8745081691239255
Energy: 0.9105823756170052
Energy: 0.979176050275667
Energy: 0.9452789461324043
Energy: 0.8948935675380573
Energy: 0.8951027665177493
Energy: 0.9151043177288293
Energy: 0.8948943018183141
Energy: 0.8984727586019379
Energy: 0.8958931193101202
Energy: 0.8871431322294746
Energy: 0.9007733892459415
Energy: 0.8756425950505531
Energy: 0.8659696642650672
Energy: 0.8739927408772377
Energy: 0.8730488064775338
Energy: 0.8095719073134291
Energy: 0.8103663766014013
Energy: 0.7986523774532823
Energy: 0.8091942501883301
Energy: 0.8108329163132442
Energy: 0.8803974787580846
Energy: 0.8094650980649226
Energy: 0.8121979495394729
Energy: 0.7974285217302034
Energy: 0.9520810572972898
Energy: 0.7996856529569253
Energy: 0.9893568718861369
Energy: 0.8272437105658488
Energy: 0.8282930280634044
Energy: 0.825833680271077
Energy: 0.8269510812607136
Energy: 0.8279222554993905
Energy: 1.0175380382615753
Energy: 0.9023668338002963
Energy: 0.8458910618236417
Energy: 0.8439452217736468
Energy: 0.8448321162172423
Energy: 0.8434737471040218
Energy: 0.9727090523400218
Energy: 0.878338449580262
Energy: 0.8786348275037014
Energy: 0.8747350707178901
Energy: 0.8782457416035208
Energy: 0.8778462939892856
Energy: 0.9661597489570445
Energy: 0.8906064533654604
Energy: 0.8854910921583043
Energy: 0.8768451561478714
Energy: 0.8914598282643429
Energy: 0.8842413224054176
Energy: 1.1018182378358408
Energy: 0.927337885850095
Energy: 0.9248549478653058
Energy: 0.9241391708276034
Energy: 0.8751032640039712
Energy: 0.9241492390051305
Energy: 1.02646738012362
Energy: 0.8787479144714362
Energy: 0.9066262033508039
Energy: 0.8976385080540857
Energy: 0.8755970077103736
Energy: 0.8947791099103443
Energy: 1.0260576716189005
Energy: 0.8825992451061907
Energy: 0.9065248061390855
Energy: 0.8971503497767428
Energy: 0.8964457182476768
Energy: 0.8947650404408325
Energy: 0.8600488206157008
Energy: 0.9004530308978047
Energy: 0.8146368112207607
Energy: 0.8143336593385261
Energy: 0.8244916209535906
Energy: 0.8099657792388644
Energy: 0.9685115927974216
Energy: 0.7997265143574848
Energy: 0.798750785474521
Energy: 0.8243401442626844
Energy: 0.824426561724291
Energy: 0.8288068670776227
Energy: 0.9695219339710083
Energy: 0.8470844090889036
Energy: 0.8478049016189115
Energy: 0.8285385332025332
Energy: 0.8270603566229515
Energy: 0.8274604959777621
Energy: 0.9722447791760993
Energy: 0.8415397083184716
Energy: 0.9119158052456283
Energy: 0.8401130060906825
Energy: 0.8408781558963172
Energy: 0.8875471580237038
Energy: 0.9082501312868746
Energy: 0.874279024288903
Energy: 0.8741348202329015
Energy: 0.8826398295687888
Energy: 0.8749133999179656
Energy: 0.8805548290018472
Energy: 0.9857038343934278
Energy: 0.9227038742846889
Energy: 0.9102003048489593
Energy: 0.8831741748643052
Energy: 1.0123487311243913
Energy: 0.9199030885388679
Energy: 0.9839905246544418
Energy: 0.9221761300896397
Energy: 0.9195583151239
Energy: 0.8823009686294222
Energy: 0.9212898393291535
Energy: 0.9208486000521371
Energy: 0.8916082641824762
Energy: 0.8843119813461333
Energy: 0.8685428746519784
Energy: 0.8760925142438474
Energy: 0.8649152163865982
Energy: 0.8724903255189931
Energy: 0.9468224269978259
Energy: 0.8978905551556003
Energy: 0.8976559780861433
Energy: 0.9136387318306195
Energy: 0.9148424321393109
Energy: 0.916925635595099
Energy: 0.9560199241358687
Energy: 0.8119193402357676
Energy: 0.8172057622902956
Energy: 0.8230977409708614
Energy: 0.8115931396482878
Energy: 0.9146129003749834
Energy: 0.8729507084546144
Energy: 0.872417366290749
Energy: 0.8391348889740664
Energy: 0.8241787758509934
Energy: 0.8670493773614613
Energy: 0.8001050859887356
Energy: 0.9746336189211107
Energy: 0.8201182724640721
Energy: 0.8391662099300751
Energy: 0.8511851718374357
Energy: 0.8208081940442213
Energy: 0.8395146533743408
Energy: 0.9693014363067437
Energy: 0.876424990735032
Energy: 0.8742026860896808
Energy: 0.8733700726077928
Energy: 0.8748888987661534
Energy: 0.8728022428308332
Energy: 0.9684407688975157
Energy: 0.8750571335770765
Energy: 0.874599208819129
Energy: 0.867444759676874
Energy: 0.8770434009835403
Energy: 0.873717318818191
Energy: 0.9616359846016082
Energy: 0.8713653672774979
Energy: 0.871720117528035
Energy: 0.865076898587822
Energy: 0.8901259390165903
Energy: 0.8699790401252377
Energy: 1.002944840167291
Energy: 0.8930129805792465
Energy: 0.8935135131707956
Energy: 0.9381119498164495
Energy: 0.8919749873353086
Energy: 1.0012798972716657
Energy: 1.072369850390276
Energy: 0.8708921235910895
Energy: 0.8710172128888907
Energy: 0.9775135361758547
Energy: 0.8754342264856194
Energy: 0.8760487610750921
Energy: 1.0410911848130093
Energy: 0.8816375291534059
Energy: 0.9069050419595583
Energy: 0.9365799215959684
Energy: 0.8816141455416485
Energy: 0.9089225890559375

minimum gb energy = 0.7969847078240729 eV
minimum distance =  2.41811014309759 Angstroms
sigma value = 43


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

Energy: 1.2549943894855151
Energy: 0.8806609211573896
Energy: 0.8338408539920502
Energy: 0.9554118336075347
Energy: 0.8903669776659409
Energy: 1.067491379900924
Energy: 0.9000953163319045
Energy: 0.8028508032927951
Energy: 0.8308040895342154
Energy: 0.8883496434607826
Energy: 0.8006324178577399
Energy: 0.8319897451363202
Energy: 0.8893716996452369
Energy: 0.8603757468147706
Energy: 0.859857558854244
Energy: 0.8975235434987766
Energy: 0.8586398066268637
Energy: 0.8897463867896421
Energy: 0.9003953026594399
Energy: 0.8593394140731448
Energy: 0.8839914569633992
Energy: 0.879585299912556
Energy: 0.8569564664084798
Energy: 0.8928820880117443
Energy: 0.8513028600512563
Energy: 0.783410752615883
Energy: 0.7835776011652351
Energy: 0.7838259767936152
Energy: 0.7832941523496011
Energy: 0.7833434626478464
Energy: 0.887521706439574
Energy: 0.7829213888261228
Energy: 0.7832941552125949
Energy: 0.7833269157042927
Energy: 0.78327168368228
Energy: 0.7832367656293882
Energy: 0.854085933952707
Energy: 0.7832829628865631
Energy: 0.7834357758025117
Energy: 0.7834617787631805
Energy: 0.7836093745435243
Energy: 0.7829367959401995
Energy: 0.9412252800461944
Energy: 0.8831757336971683
Energy: 0.8838258273377579
Energy: 0.8407984793014092
Energy: 0.9369776285297259
Energy: 0.9256801267024825
Energy: 0.8526267534578742
Energy: 0.8768288777385083
Energy: 0.8800239847864172
Energy: 0.7986987093407324
Energy: 0.8869201394783324
Energy: 0.8800382896470328
Energy: 1.0644687021084214
Energy: 0.9176964462762978
Energy: 0.9032740509642643
Energy: 0.8654237518748673
Energy: 0.9141895921970032
Energy: 0.9099971350383892
Energy: 0.8520067559506445
Energy: 0.8840415757324723
Energy: 0.890024067922603
Energy: 0.801337665540236
Energy: 0.925886907984306
Energy: 0.8000800160209908
Energy: 0.9799331032004175
Energy: 0.8857615306206673
Energy: 0.8845227199186905
Energy: 0.8116605926424016
Energy: 0.8801011230504631
Energy: 0.8830229140450702
Energy: 0.9773117452277355
Energy: 0.8864333719943345
Energy: 0.9174507918636391
Energy: 0.8643537447716833
Energy: 0.8864623982784494
Energy: 0.9221264658336669
Energy: 0.8516205403708128
Energy: 0.7990613389466704
Energy: 0.7990942302481974
Energy: 0.8012840701409302
Energy: 0.8004285037920843
Energy: 0.7988536534330376
Energy: 0.8954213665486742
Energy: 0.8023144772266072
Energy: 0.8013364553601398
Energy: 0.8021446204642594
Energy: 0.7861202312115917
Energy: 0.8011605489946508
Energy: 0.9699614842226358
Energy: 0.7840382909863455
Energy: 0.7883162870846953
Energy: 0.8082391809658089
Energy: 0.7839320372630143
Energy: 0.7996595106957505
Energy: 0.9049376486571078
Energy: 0.83934540502655
Energy: 0.8394125375925497
Energy: 0.8764406784804979
Energy: 0.8091207036939247
Energy: 0.8387475312543855
Energy: 0.869740393940504
Energy: 0.8340181308419315
Energy: 0.8346000726906259
Energy: 0.838055083245265
Energy: 0.8301456711810161
Energy: 0.834050222274113
Energy: 1.01907145414225
Energy: 0.8414566259786566
Energy: 0.836203517497973
Energy: 0.9283202933836279
Energy: 0.8384268575388422
Energy: 0.8906102663744532
Energy: 1.0185221768418518
Energy: 0.8315734306085002
Energy: 0.8378898954660753
Energy: 0.9041454858121227
Energy: 0.8420220473568795
Energy: 0.8929502108229195
Energy: 0.870738597924633
Energy: 0.9075536327054136
Energy: 0.8292887760491832
Energy: 0.8401402061539173
Energy: 0.8207462141538818
Energy: 0.831172163659688
Energy: 0.9372040392293495
Energy: 0.9297300345404954
Energy: 1.0293206170102465
Energy: 0.8341651545314815
Energy: 0.8909509966129843
Energy: 1.0303606852260174
Energy: 1.0204530295367917
Energy: 0.8390133809072214
Energy: 0.8397486882230493
Energy: 0.8317208133873455
Energy: 0.8377503452515999
Energy: 0.8400736681184066
Energy: 0.9113450725263841
Energy: 0.8329480728167922
Energy: 0.835222899340928
Energy: 0.8207478717097074
Energy: 0.8300370327716969
Energy: 0.8369853140436206
Energy: 1.0208233465783125
Energy: 0.8399925989749738
Energy: 0.8310824154909154
Energy: 0.8272710684774149
Energy: 0.8396234728550607
Energy: 0.833531105479907
Energy: 0.8812787423328642
Energy: 0.8011716423776766
Energy: 0.8019588465808279
Energy: 0.8007025437421164
Energy: 0.8003141863776965
Energy: 0.8023273108872356
Energy: 0.8807971453714497
Energy: 0.8009003066161748
Energy: 0.8007322716715657
Energy: 0.7983180836099203
Energy: 0.8006319678629932
Energy: 0.8008979480468387
Energy: 0.8878908178644671
Energy: 0.8006334267356897
Energy: 0.8003591167833134
Energy: 0.7983986235592048
Energy: 0.8003477497029646
Energy: 0.8001692097458164
Energy: 0.9018901749936016
Energy: 0.8901124988160669
Energy: 0.900221721247138
Energy: 0.9250976050076593
Energy: 0.863335742278897
Energy: 0.8264575923557438
Energy: 0.899247394962708
Energy: 0.8022846910578956
Energy: 0.8019456636167374
Energy: 0.8902386492557568
Energy: 0.8017605573548575
Energy: 0.8842238368896718
Energy: 1.0612588001807268
Energy: 0.8732521425655742
Energy: 0.8721783732453928
Energy: 0.9439954436759053
Energy: 0.9020796468100307
Energy: 0.8679397788390779

minimum gb energy = 0.7829213888261228 eV
minimum distance =  2.41424308988361 Angstroms
sigma value = 57


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

Energy: 1.1542999746903684
Energy: 1.0889165908127003
Energy: 1.0079027925057806
Energy: 0.785058260060693
Energy: 1.0896575851229526
Energy: 0.962889738354357
Energy: 0.859997596439479
Energy: 0.7631014564426699
Energy: 0.7642366929856075
Energy: 0.8326110906489168
Energy: 0.7625288842997274
Energy: 0.7642477153911865
Energy: 0.8681171372151225
Energy: 0.7646331186594971
Energy: 0.763171456407391
Energy: 0.8328252180330357
Energy: 0.7648643538782941
Energy: 0.7611080444835194
Energy: 0.9431835001636257
Energy: 0.7648819750387833
Energy: 0.7649808305955095
Energy: 0.7634595609890529
Energy: 0.7638208959173348
Energy: 0.7650773307374937
Energy: 0.8263379861478929
Energy: 0.7563337500719085
Energy: 0.7567260142201605
Energy: 0.7590989898010829
Energy: 0.7577145210036194
Energy: 0.7567531257089158
Energy: 0.8178416230770263
Energy: 0.7570462662716606
Energy: 0.7566614478826803
Energy: 0.7569375499506991
Energy: 0.7577976204751361
Energy: 0.7568934249873068
Energy: 0.9799374785692188
Energy: 0.7618093368207545
Energy: 0.7626873300202027
Energy: 0.7619153231124449
Energy: 0.7615619331744343
Energy: 0.7609898957206062
Energy: 0.8425248732329442
Energy: 0.831577480898143
Energy: 0.8319409347014576
Energy: 0.7723014392980179
Energy: 0.8392768165359379
Energy: 0.832620218370039
Energy: 0.9757089136704361
Energy: 0.8315941860557026
Energy: 0.8327906543718968
Energy: 0.7641501313603051
Energy: 0.8221872437675047
Energy: 0.7652596488023081
Energy: 1.1495875493097405
Energy: 0.8627532582911766
Energy: 0.8686314339347133
Energy: 0.9183148008575978
Energy: 0.8473866681062516
Energy: 0.8614612631217585
Energy: 0.8693477295169569
Energy: 0.7808415521093534
Energy: 0.7617470742368438
Energy: 0.8307149249806419
Energy: 0.7817117649648925
Energy: 0.8319653336214997
Energy: 0.8152332186045216
Energy: 0.8316154581468574
Energy: 0.8307043675631803
Energy: 0.7647212902420234
Energy: 0.8307033703700675
Energy: 0.8618127059440572
Energy: 0.8115958170576308
Energy: 0.8336978486841877
Energy: 0.8887072467503705
Energy: 0.90924274277514
Energy: 0.8327200715857143
Energy: 0.897996926371781
Energy: 0.8589843538105079
Energy: 0.7657356738600697
Energy: 0.764644839759092
Energy: 0.8306705524194035
Energy: 0.7644206885418116
Energy: 0.7638840340584928
Energy: 0.8729710559935572
Energy: 0.7691572241714937
Energy: 0.7649465423006547
Energy: 0.837734244985408
Energy: 0.7608053709532181
Energy: 0.764311387718783
Energy: 0.9458420081967821
Energy: 0.7624715824240704
Energy: 0.7627106886092699
Energy: 0.764148597632904
Energy: 0.7620949244605033
Energy: 0.7635691509473499
Energy: 0.8281295666699167
Energy: 0.7573464085750499
Energy: 0.7569542642494294
Energy: 0.7573438296625951
Energy: 0.7571826574517028
Energy: 0.7573950643455861
Energy: 0.829133321557447
Energy: 0.7574551102544359
Energy: 0.7565340298299523
Energy: 0.7572425367294706
Energy: 0.7577989240928865
Energy: 0.7573404285905088
Energy: 0.9832646717493067
Energy: 0.8335775556622284
Energy: 0.8352612992426538
Energy: 0.7622781088549394
Energy: 0.8407981335628467
Energy: 0.8328166666344372
Energy: 0.9818943845381084
Energy: 0.8334987018710508
Energy: 0.8332671771218818
Energy: 0.8303379561772519
Energy: 0.8331613302088501
Energy: 0.8329258804729252
Energy: 0.9741429393907041
Energy: 0.8291380731867731
Energy: 0.7643988101811802
Energy: 0.7626219524394314
Energy: 0.8314080458007314
Energy: 0.7640255077492083
Energy: 0.9731126336822039
Energy: 0.8647754312488763
Energy: 0.8945974229709563
Energy: 0.903319464356296
Energy: 0.8623844751239723
Energy: 0.8916246058636894
Energy: 0.8590866587020448
Energy: 0.8244573399372732
Energy: 0.7677255268359044
Energy: 0.8299051678935047
Energy: 0.8314429603672656
Energy: 0.7656354469250627
Energy: 0.8111819997637643
Energy: 0.8334603289522926
Energy: 0.8895431031611135
Energy: 0.9106608332266883
Energy: 0.8383438674970832
Energy: 0.8969060275650863

minimum gb energy = 0.7563337500719085 eV
minimum distance =  2.41869888271327 Angstroms
sigma value = 17


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

Energy: 0.9912270301410525
Energy: 0.9597585839232007
Energy: 0.902632558577795
Energy: 0.7370537016893142
Energy: 0.9605217661213417
Energy: 0.7373755261105448
Energy: 1.0347507966575236
Energy: 0.7394094278552054
Energy: 0.7394888788147255
Energy: 0.7618834558305428
Energy: 0.7388437240558089
Energy: 0.7395402794516737
Energy: 0.9554504650789424
Energy: 0.7089174576635153
Energy: 0.7080508147039069
Energy: 0.753003440412487
Energy: 0.7102370773288026
Energy: 0.7072435760311259
Energy: 0.9730347329538604
Energy: 0.7101873616184893
Energy: 0.7087023098383254
Energy: 0.8819917268220726
Energy: 0.7095422938175651
Energy: 0.7416511197693039
Energy: 0.9047505628040221
Energy: 0.684501366703382
Energy: 0.6847212811064901
Energy: 0.6873976555021245
Energy: 0.6852234615142037
Energy: 0.6852950576144957
Energy: 0.8352363917517451
Energy: 0.6925641392154114
Energy: 0.6925880888213355
Energy: 0.6741039947035964
Energy: 0.6933872153163011
Energy: 0.6725155112337091
Energy: 0.8787876433449726
Energy: 0.6728865358622962
Energy: 0.669115222246108
Energy: 0.6716164031838915
Energy: 0.6711808230131533
Energy: 0.6688155874031695
Energy: 0.8087519699283601
Energy: 0.670246688918979
Energy: 0.6698176046710861
Energy: 0.6701937418351585
Energy: 0.6714394183888585
Energy: 0.6705351324053489
Energy: 0.7755897810057508
Energy: 0.6689114406167822
Energy: 0.6681695034921308
Energy: 0.7485033435063014
Energy: 0.6695535900801557
Energy: 0.6682372718805816
Energy: 0.8066341072173531
Energy: 0.6936523198841261
Energy: 0.6930183475481085
Energy: 0.685584358033165
Energy: 0.6937567469076699
Energy: 0.6926230597906851
Energy: 0.8756416844583215
Energy: 0.6864674985600603
Energy: 0.6857986688006416
Energy: 0.6852057963667244
Energy: 0.6862673641285115
Energy: 0.6847952611190286
Energy: 0.9621752597640151
Energy: 0.7387605064986792
Energy: 0.7386613053310896
Energy: 0.7021796145169977
Energy: 0.8828575544740097
Energy: 0.7418104025632538
Energy: 0.9112610369840248
Energy: 0.7536289556322512
Energy: 0.7533321741000877
Energy: 0.70411125128569
Energy: 0.7530699303943152
Energy: 0.7537666602928712
Energy: 0.998905973939208
Energy: 0.7549453518695125
Energy: 0.7186664781384601
Energy: 0.9142755784465312
Energy: 0.7536466419512814
Energy: 0.7181927186708189
Energy: 1.0370473384582801
Energy: 0.8129855640661793
Energy: 0.7904133369323869
Energy: 0.753934449270874
Energy: 0.8573573689700352
Energy: 0.7899168957239502
Energy: 1.0361861507357721
Energy: 0.7411849876489748
Energy: 0.7394014078552128
Energy: 0.7527816905843306
Energy: 0.7609418336418725
Energy: 0.7387115077051405
Energy: 1.0559025830258602
Energy: 0.7532504682072745
Energy: 0.8248016737267742
Energy: 0.7307090058330268
Energy: 0.752876867672055
Energy: 0.8247859716245202

minimum gb energy = 0.6681695034921308 eV
minimum distance =  2.41233586771865 Angstroms
sigma value = 17


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

Energy: 0.8325329144976691
Energy: 0.8387277657502904
Energy: 0.7196355074170784
Energy: 0.6648214676531029
Energy: 0.8755500326188037
Energy: 0.661497093995659
Energy: 1.0666856674429221
Energy: 0.6583773892092692
Energy: 0.6607821844532675
Energy: 0.6949835804544254
Energy: 0.6883379578236644
Energy: 0.6618620076200881
Energy: 1.1264055535126143
Energy: 0.6214162289903724
Energy: 0.6494445429665301
Energy: 0.6839022934379418
Energy: 0.6220181877520549
Energy: 0.6487383263466123
Energy: 0.950484431014364
Energy: 0.6497424907787209
Energy: 0.6492533478663348
Energy: 0.686121833005216
Energy: 0.612083630153515
Energy: 0.6481434175676731
Energy: 0.8652007950444506
Energy: 0.6257516061451439
Energy: 0.6265746148561641
Energy: 0.6452054021436329
Energy: 0.6267975676306706
Energy: 0.6266838139269469
Energy: 0.7927808242390723
Energy: 0.6254029600157681
Energy: 0.610568703348456
Energy: 0.6143625662708945
Energy: 0.6253398035750702
Energy: 0.6112021841878016
Energy: 0.8272300829040272
Energy: 0.6286487837045659
Energy: 0.6105579617421547
Energy: 0.6121853849811197
Energy: 0.6312184351664789
Energy: 0.6109494604270364
Energy: 0.8090537712019891
Energy: 0.6017043909960111
Energy: 0.6039088402436553
Energy: 0.6101829335405858
Energy: 0.6030669228993281
Energy: 0.6057101523224825
Energy: 0.8392679830476452
Energy: 0.6056051435959169
Energy: 0.605012020712755
Energy: 0.7164876359231955
Energy: 0.6183824208463801
Energy: 0.6144631602889638
Energy: 0.7324458872541789
Energy: 0.601562629413796
Energy: 0.6007875926694115
Energy: 0.6249880726804792
Energy: 0.6023125957149655
Energy: 0.6000787873040182
Energy: 0.7325134068755325
Energy: 0.6018890195798378
Energy: 0.6011316765597446
Energy: 0.6026722590357588
Energy: 0.6232014145290686
Energy: 0.6101771257880103
Energy: 0.8261101040087154
Energy: 0.6061233515289198
Energy: 0.6051985592648169
Energy: 0.6128383368390938
Energy: 0.7176913684090226
Energy: 0.6048700009525627
Energy: 0.7690258864401417
Energy: 0.6042095890426618
Energy: 0.6034540804422767
Energy: 0.6058493176473686
Energy: 0.6121830928316807
Energy: 0.6033902770673162
Energy: 0.8521798111731992
Energy: 0.6102386080813723
Energy: 0.6105078669084826
Energy: 0.6262810775282472
Energy: 0.6032716518519784
Energy: 0.6097595401732981
Energy: 0.8518998525905925
Energy: 0.6229923303052163
Energy: 0.6230435524637093
Energy: 0.6251852304723995
Energy: 0.6212081421850993
Energy: 0.6264404783336601
Energy: 0.8529378848401907
Energy: 0.6263304754246374
Energy: 0.6271383608306451
Energy: 0.6266040064467704
Energy: 0.6742739855599771
Energy: 0.6263899066105385
Energy: 0.8388499377285409
Energy: 0.6859081062217595
Energy: 0.6880209070371517
Energy: 0.6406072839270818
Energy: 0.6848778030497766
Energy: 0.6356522949340735
Energy: 0.8652212617421664
Energy: 0.6842923537935308
Energy: 0.6848677886680042
Energy: 0.6404868825295884
Energy: 0.6840240779600791
Energy: 0.635206024279843
Energy: 0.9651381719085029
Energy: 0.6936930442598346
Energy: 0.6626889236843897
Energy: 0.6890064813899488
Energy: 0.6352703838089213
Energy: 0.6603505955667125
Energy: 0.9472248121683434
Energy: 0.6682171853544787
Energy: 0.6681256224935117
Energy: 0.6898679290645705
Energy: 0.6688461361920698
Energy: 0.7261972218468329
Energy: 0.9771861085259045
Energy: 0.6866730735411055
Energy: 0.6636076198324615
Energy: 0.6884207538356282
Energy: 0.6868315083959117
Energy: 0.6619527016204269
Energy: 0.8341639446214886
Energy: 0.7204209506752184
Energy: 0.7307736422230088
Energy: 0.6618576545082119
Energy: 0.7199619832024153
Energy: 0.6610686092037352
Energy: 0.9441419112259468
Energy: 0.6893813372122221
Energy: 0.659629001048787
Energy: 0.6651304871263527
Energy: 0.6892583915912243
Energy: 0.7079949786886942
Energy: 0.9755421458142745
Energy: 0.6389062802686447
Energy: 0.6590405461183199
Energy: 0.6835233681610827
Energy: 0.6592352946959117
Energy: 0.6849146604814459
Energy: 0.948571232794346
Energy: 0.6217864050205163
Energy: 0.6495371566077295
Energy: 0.685354481000562
Energy: 0.6227029631446607
Energy: 0.6483132913209312
Energy: 0.9518246789097927
Energy: 0.6338036608830357
Energy: 0.6333599608329656
Energy: 0.6579947649171319
Energy: 0.6337456556464109
Energy: 0.6258176175860598
Energy: 0.79283511787007
Energy: 0.6274663698948711
Energy: 0.6274594644257496
Energy: 0.6140420273712995
Energy: 0.6270311241439047
Energy: 0.6396012502815933
Energy: 0.8228441024000326
Energy: 0.6270617351312977
Energy: 0.6266261836645429
Energy: 0.6246019200379568
Energy: 0.6267816022701838
Energy: 0.633516026571163
Energy: 0.8085732228689958
Energy: 0.6049772087441635
Energy: 0.6047693776250512
Energy: 0.604845297281717
Energy: 0.6058258501945687
Energy: 0.6047046179157123
Energy: 0.8275761438630758
Energy: 0.6021806336815508
Energy: 0.6035543386419033
Energy: 0.7135636283513904
Energy: 0.6030191474992269
Energy: 0.6030995182108635
Energy: 0.8357718376254559
Energy: 0.6049207450470264
Energy: 0.60521567301267
Energy: 0.8346861593189664
Energy: 0.6044677963112769
Energy: 0.6051550907893128
Energy: 0.7365038650102167
Energy: 0.6062142973509103
Energy: 0.6066222320203611
Energy: 0.6066292505238523
Energy: 0.6028340198336543
Energy: 0.6068670375295641
Energy: 0.82548101677277
Energy: 0.7252646930857741
Energy: 0.7237580308211848
Energy: 0.60464185203507
Energy: 0.7310692460633167
Energy: 0.7200771556698703
Energy: 0.7680547758785553
Energy: 0.608993946775915
Energy: 0.6109971573153352
Energy: 0.6081369803549018
Energy: 0.6127357435362243
Energy: 0.6079857629996116
Energy: 0.8540626056427447
Energy: 0.6080430826363452
Energy: 0.6078668827174697
Energy: 0.6317764434033345
Energy: 0.6070302745631152
Energy: 0.6076572059188047
Energy: 0.8516229672644858
Energy: 0.6128233041955027
Energy: 0.6268238295823669
Energy: 0.6255630663399835
Energy: 0.612705464448898
Energy: 0.6260806866649591
Energy: 0.7401886630116055
Energy: 0.6273376224952792
Energy: 0.6269428441593203
Energy: 0.6255096383621678
Energy: 0.6278781666837984
Energy: 0.6260108425320814
Energy: 0.8285809931562361
Energy: 0.6877089671025185
Energy: 0.6623228948538126
Energy: 0.6262122690766627
Energy: 0.6892141444699994
Energy: 0.6340279128556747
Energy: 0.8122763039934948
Energy: 0.683328909449968
Energy: 0.6668747740397543
Energy: 0.6382895473135732
Energy: 0.6884271511017694
Energy: 0.6619014409442756
Energy: 0.961118794156417
Energy: 0.6875905512304278
Energy: 0.6877242466941756
Energy: 0.6335164010950738
Energy: 0.6960077830007704
Energy: 0.6634235429877201
Energy: 1.0612773148952883
Energy: 0.6481260445175143
Energy: 0.7256263166092315
Energy: 0.7194593140300829
Energy: 0.6489358220151114
Energy: 0.7248131169649787
Energy: 1.0533838397404593
Energy: 0.6891434302685814
Energy: 0.667579677303168
Energy: 0.6832288846997024
Energy: 0.6494979411961985
Energy: 0.6844153731651782
Energy: 0.9436667527408951
Energy: 0.6834091489227982
Energy: 0.6842940803753645
Energy: 0.6964939790152618
Energy: 0.6830711825488462
Energy: 0.7066702885621771

minimum gb energy = 0.6000787873040182 eV
minimum distance =  2.41188305419622 Angstroms
sigma value = 57


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

Energy: 0.7675137613142714
Energy: 0.7780198013771689
Energy: 0.6573574419523446
Energy: 0.5756261522076801
Energy: 0.8399857879428022
Energy: 0.6585209536626813
Energy: 0.9882634766118273
Energy: 0.5864430528960183
Energy: 0.5860439680007709
Energy: 0.6344278903437798
Energy: 0.6395077618613155
Energy: 0.610918828955636
Energy: 1.072025931092787
Energy: 0.5694868319767517
Energy: 0.5697757380714962
Energy: 0.6248268542112957
Energy: 0.5686035464785694
Energy: 0.5975240182693837
Energy: 0.8921981514773519
Energy: 0.5685004513729496
Energy: 0.5971725855804898
Energy: 0.6244216117139167
Energy: 0.5694339662705147
Energy: 0.5962562212787079
Energy: 0.8069803594648988
Energy: 0.5876806709605632
Energy: 0.5868637917439661
Energy: 0.5892159238597726
Energy: 0.5875850276559291
Energy: 0.5780795862142114
Energy: 0.7578965706441929
Energy: 0.5768271698922125
Energy: 0.5644107784704103
Energy: 0.5584455511121732
Energy: 0.5767076737150908
Energy: 0.5650784499202697
Energy: 0.7735480448555131
Energy: 0.5879663570280323
Energy: 0.5847888829534703
Energy: 0.558574500754487
Energy: 0.5863808338057659
Energy: 0.5577970863974541
Energy: 0.8196622398146284
Energy: 0.5500253579295645
Energy: 0.5500595500940112
Energy: 0.5654877137079368
Energy: 0.5500146068888332
Energy: 0.6268969654199718
Energy: 0.776183350435484
Energy: 0.5579366176466619
Energy: 0.5563242549666749
Energy: 0.5586289915616931
Energy: 0.642101337700675
Energy: 0.5650989915935759
Energy: 0.7755640527590691
Energy: 0.5484349447021196
Energy: 0.5492729029989888
Energy: 0.5542289254926067
Energy: 0.5482749796178453
Energy: 0.549431497284802
Energy: 0.765458242843114
Energy: 0.5450893597001567
Energy: 0.5444178166149517
Energy: 0.546320193910776
Energy: 0.5494228735056639
Energy: 0.5445003067137025
Energy: 0.773372325438091
Energy: 0.7225565547510299
Energy: 0.5533248636021348
Energy: 0.551107638561769
Energy: 0.6381198537770816
Energy: 0.5541784400412136
Energy: 0.7761012367752372
Energy: 0.6628339804012412
Energy: 0.66334516008185
Energy: 0.5483660373022202
Energy: 0.6610392738279757
Energy: 0.5602684132573841
Energy: 0.7619559820223222
Energy: 0.5507171481175818
Energy: 0.5507065008226755
Energy: 0.7624077937293542
Energy: 0.5505515507829927
Energy: 0.7272108507935385
Energy: 0.7629069848725369
Energy: 0.5458367978463514
Energy: 0.5453853541775513
Energy: 0.6105453695964602
Energy: 0.5455033784748741
Energy: 0.5441700698153298
Energy: 0.8027989733841722
Energy: 0.6190839510395743
Energy: 0.5538466196146414
Energy: 0.5533945758538785
Energy: 0.5559546072546512
Energy: 0.5543307384544623
Energy: 0.7627487092034126
Energy: 0.5526480352165776
Energy: 0.5533696081514118
Energy: 0.5493466149584094
Energy: 0.5679783441697872
Energy: 0.5542752519500818
Energy: 0.7828160737788721
Energy: 0.554772980595533
Energy: 0.5554218643374629
Energy: 0.5788697042042921
Energy: 0.5547354126673745
Energy: 0.5548822160898081
Energy: 0.8033466111277419
Energy: 0.5587234769128014
Energy: 0.558654802858525
Energy: 0.5876342760183207
Energy: 0.5665284584077889
Energy: 0.5868092843607831
Energy: 0.8052641234079813
Energy: 0.6355142578892398
Energy: 0.5651632364449118
Energy: 0.5854720529266343
Energy: 0.6298676219661173
Energy: 0.5849283086394212
Energy: 0.9146559528340501
Energy: 0.5858113869965486
Energy: 0.5838438327028087
Energy: 0.585180911105389
Energy: 0.5852269523039183
Energy: 0.5846407172952538
Energy: 0.762448648577044
Energy: 0.6256714996055628
Energy: 0.5838545089983315
Energy: 0.5647358676878848
Energy: 0.6254501962850744
Energy: 0.5839033258193994
Energy: 0.8183174586923031
Energy: 0.6247570950271396
Energy: 0.625064150507978
Energy: 0.5998886260057688
Energy: 0.6361517904938251
Energy: 0.6258145535085743
Energy: 0.9817302912041237
Energy: 0.5872805986598088
Energy: 0.576717057278949
Energy: 0.5887762495989465
Energy: 0.5956547915686807
Energy: 0.577419531084369
Energy: 1.046467140667472
Energy: 0.5941504112735504
Energy: 0.6112061889057636
Energy: 0.64985974668832
Energy: 0.5923146645101829
Energy: 0.6594977616028532
Energy: 1.0786067181402752
Energy: 0.6305434039306458
Energy: 0.6284910389885449
Energy: 0.6365941562497368
Energy: 0.636345501548809
Energy: 0.6108837164089108
Energy: 0.7666456999809173
Energy: 0.6494966907934806
Energy: 0.6282253776779791
Energy: 0.5773247229242058
Energy: 0.6496883224550476
Energy: 0.6278109081142923

minimum gb energy = 0.5441700698153298 eV
minimum distance =  2.41851411485007 Angstroms
sigma value = 43


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

Energy: 0.640395748643249
Energy: 0.6201849964203318
Energy: 0.5712405977075576
Energy: 0.5009589012364797
Energy: 0.6547640914219882
Energy: 0.5497408952174576
Energy: 0.8802747106007749
Energy: 0.47532280727816667
Energy: 0.47405820182780073
Energy: 0.5072873437557833
Energy: 0.4754731722933225
Energy: 0.4728802972800443
Energy: 0.8850529989270005
Energy: 0.4778514974106827
Energy: 0.4825604019711882
Energy: 0.5021859255677196
Energy: 0.47716383355135683
Energy: 0.4830159702665825
Energy: 0.7711161883862758
Energy: 0.48217115740222155
Energy: 0.4825954757773624
Energy: 0.4709982662087007
Energy: 0.5399397107316891
Energy: 0.491957243606656
Energy: 0.690007897972957
Energy: 0.4739165450934189
Energy: 0.47347002326765253
Energy: 0.4784733776437475
Energy: 0.4749809432781736
Energy: 0.4728216820225261
Energy: 0.6250863713621491
Energy: 0.4715920636223959
Energy: 0.46789436794004596
Energy: 0.5029107137795972
Energy: 0.47114319943115396
Energy: 0.4673010331667892
Energy: 0.7693908744572713
Energy: 0.47474845767994667
Energy: 0.4925981949346665
Energy: 0.45956997216891937
Energy: 0.4766321530611233
Energy: 0.4566717300565854
Energy: 0.7673674160473065
Energy: 0.45738541755360784
Energy: 0.45618686885569204
Energy: 0.5507061732021002
Energy: 0.45719979297765156
Energy: 0.49998314840922026
Energy: 0.6590839890352965
Energy: 0.4572122334698894
Energy: 0.45911936662053404
Energy: 0.4594337682727655
Energy: 0.46008106256551873
Energy: 0.5254089358901615
Energy: 0.6508421804663351
Energy: 0.45275186351152424
Energy: 0.4527170656757888
Energy: 0.45850442033900024
Energy: 0.45244681056752717
Energy: 0.4519606042650913
Energy: 0.620056319331329
Energy: 0.45090687107783123
Energy: 0.4477563993564204
Energy: 0.4527053761522909
Energy: 0.48811704031750197
Energy: 0.4484265971110652
Energy: 0.6602026583221425
Energy: 0.5796440710747077
Energy: 0.44801779587125556
Energy: 0.44876607454333567
Energy: 0.5813243858827519
Energy: 0.45747088134939523
Energy: 0.6589242050613392
Energy: 0.5187678198080662
Energy: 0.5213680123807714
Energy: 0.45227739450801935
Energy: 0.5143801875591892
Energy: 0.5200571220106157
Energy: 0.6269473762778016
Energy: 0.3562823102396837
Energy: 0.5663544993076732
Energy: 0.5692364120882923
Energy: 0.5126262811565183
Energy: 0.5673670993145752
Energy: 0.6268112842644856
Energy: 0.449675506724648
Energy: 0.44998641103874865
Energy: 0.5739493997008948
Energy: 0.45013573187244105
Energy: 0.44614539231361344
Energy: 0.6220650765176651
Energy: 0.5487222523603567
Energy: 0.444287924522819
Energy: 0.4446618158752024
Energy: 0.5794228373352999
Energy: 0.44413291058658516
Energy: 0.6302002169544507
Energy: 0.569059346985679
Energy: 0.44913444989213624
Energy: 0.4469755880379753
Energy: 0.5624844255845328
Energy: 0.44783854637736986
Energy: 0.620759383806623
Energy: 0.5115447410122048
Energy: 0.45194589241999145
Energy: 0.48309449121885456
Energy: 0.5141426058550301
Energy: 0.4523736614589976
Energy: 0.619857151703467
Energy: 0.508500373148762
Energy: 0.559511780976556
Energy: 0.5627453679056864
Energy: 0.5087010996469593
Energy: 0.560217837284822
Energy: 0.6200663437235039
Energy: 0.5104980203494656
Energy: 0.4557426697701778
Energy: 0.45297595942335916
Energy: 0.5101291438153844
Energy: 0.45606328352791076
Energy: 0.6425974832748023
Energy: 0.4816614955795018
Energy: 0.4543478232974204
Energy: 0.4512422541711584
Energy: 0.5703552072262238
Energy: 0.4549079511908672
Energy: 0.625241209884607
Energy: 0.4830521634028907
Energy: 0.44451691236800994
Energy: 0.44511942785924336
Energy: 0.5764280616611489
Energy: 0.4440857221563488
Energy: 0.6426169969302998
Energy: 0.4503912232388237
Energy: 0.4503988101842455
Energy: 0.511040999180128
Energy: 0.4457599130040376
Energy: 0.44971511823967014
Energy: 0.640348218809694
Energy: 0.4553431189491648
Energy: 0.5791983036704356
Energy: 0.5134297285465141
Energy: 0.4566405170028538
Energy: 0.5803152888519999
Energy: 0.684802925579168
Energy: 0.5223708515764226
Energy: 0.5288422920117097
Energy: 0.45043386440109406
Energy: 0.5227608723942272
Energy: 0.5293969691045703
Energy: 0.6862938031863622
Energy: 0.5280850331603985
Energy: 0.4601538537114043
Energy: 0.4580728880084652
Energy: 0.5262643173044345
Energy: 0.4569301665528105
Energy: 0.6227588733043432
Energy: 0.4559931834734638
Energy: 0.455547044724503
Energy: 0.45930096133392345
Energy: 0.4554488875919664
Energy: 0.4573992499036571
Energy: 0.6826173083548793
Energy: 0.4611487211970293
Energy: 0.46033126651768586
Energy: 0.5817354361235083
Energy: 0.4615226412451235
Energy: 0.45857863428311646
Energy: 0.6854584914191728
Energy: 0.4691638929047586
Energy: 0.4714558909825794
Energy: 0.4702734365213537
Energy: 0.4596392375078875
Energy: 0.47237579061142543
Energy: 0.840316287696166
Energy: 0.4693768015025152
Energy: 0.46882176158845057
Energy: 0.4725607339213917
Energy: 0.46691570567422985
Energy: 0.5111509307866584
Energy: 0.8359361180364681
Energy: 0.47477845977523564
Energy: 0.47825360928349603
Energy: 0.47601148597060783
Energy: 0.47513237360468025
Energy: 0.4725408902633768
Energy: 0.6319941096505014
Energy: 0.5025998932352665
Energy: 0.4877650605036632
Energy: 0.4767025652133441
Energy: 0.5023992779889288
Energy: 0.5251421581902974
Energy: 0.7016868805265709
Energy: 0.5083748008329901
Energy: 0.5078338134320002
Energy: 0.4915343263112965
Energy: 0.5082154536297825
Energy: 0.5065942093693447
Energy: 0.8410000984452572
Energy: 0.5039690610382545
Energy: 0.5044313251783391
Energy: 0.49467800523773603
Energy: 0.6246222789175274
Energy: 0.5232331397872494
Energy: 0.8870258443619933
Energy: 0.49345244016329104
Energy: 0.5045640390098558
Energy: 0.5341521188403409
Energy: 0.5573163943516117
Energy: 0.5052873036185146
Energy: 0.8349419610572301
Energy: 0.5082405389916277
Energy: 0.5077993239024633
Energy: 0.5074609120734441
Energy: 0.508443647232012
Energy: 0.4726102198121682

minimum gb energy = 0.3562823102396837 eV
minimum distance =  2.43428732977229 Angstroms
sigma value = 81


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

Energy: 0.006931448829524677
Energy: 0.01585442238679758
Energy: 0.007238530623076566
Energy: 0.009812141093389633
Energy: 0.050660881977389334
Energy: 0.007451545718737899
Energy: 0.05229593289227625
Energy: 0.01705744469505646
Energy: 0.01333136691209917
Energy: 0.0533026500848759
Energy: 0.015490147867242003
Energy: 0.014049393431053568
Energy: 0.05035446981206459
Energy: 0.007561928528200512
Energy: 0.007652500174145053
Energy: 0.05118192565581657
Energy: 0.007418615049440208
Energy: 0.04957790029395666
Energy: 0.01443432257637991
Energy: 0.007770295824961742
Energy: 0.007273791797029441
Energy: 0.01498396322804965
Energy: 0.007718485159455124
Energy: 0.04997185764359105
Energy: 0.049409953859180025
Energy: 0.051070049198401614
Energy: 0.05100296719958649
Energy: 0.05047445730829086
Energy: 0.050604762145768714
Energy: 0.05432982251240882
Energy: 0.008053403020398841
Energy: 0.01405331122252991
Energy: 0.007159343394896108
Energy: 0.0100787675533129
Energy: 0.013792939216023106
Energy: 0.007711312496652214
Energy: 0.05029122767746605
Energy: 0.01723845275832402
Energy: 0.013632783360151914
Energy: 0.050688439611507506
Energy: 0.01627537839057673
Energy: 0.013441613302813389
Energy: 0.050345277892931535
Energy: 0.007387970292928838
Energy: 0.007502114819125861
Energy: 0.0506629175638817
Energy: 0.0071023712815285
Energy: 0.05005967480459962
Energy: 0.01075513396520135
Energy: 0.007465020259717724
Energy: 0.051342235916856147
Energy: 0.01357224336897773
Energy: 0.007496783515563261
Energy: 0.051503968018112405
Energy: 0.0076609525897374815
Energy: 0.05111568903554376
Energy: 0.051285245104970095
Energy: 0.007138678687055327
Energy: 0.05150814080743452
Energy: 0.05163750602001828

minimum gb energy = 0.006931448829524677 eV
minimum distance =  2.55799594309751 Angstroms
sigma value = 3


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

Energy: 0.5826966687438369
Energy: 0.6030055445616158
Energy: 0.5780749591766146
Energy: 0.5329934314872802
Energy: 0.5693437822568285
Energy: 0.5402514796790143
Energy: 0.6255000980873309
Energy: 0.5851658911172017
Energy: 0.5838389333021388
Energy: 0.5856032435347778
Energy: 0.5871939030738849
Energy: 0.5831366978459952
Energy: 0.6267259275766258
Energy: 0.5475233683710664
Energy: 0.5480074568265727
Energy: 0.592611488749935
Energy: 0.5478798831880191
Energy: 0.5701575654394083
Energy: 0.6910106648264549
Energy: 0.5482107587099908
Energy: 0.5483877342387673
Energy: 0.6675402808816802
Energy: 0.5499658877379383
Energy: 0.5705784656433533
Energy: 0.5718105215214998
Energy: 0.5882180279247059
Energy: 0.5843256669249538
Energy: 0.5717113594376182
Energy: 0.5954321890749777
Energy: 0.583393072427937
Energy: 0.5568803162393874
Energy: 0.5879124499095061
Energy: 0.5693962761712694
Energy: 0.5322033905188631
Energy: 0.5880566443054099
Energy: 0.5430573508643549
Energy: 0.6143841996666066
Energy: 0.593427422234629
Energy: 0.5902071580173368
Energy: 0.5969938365595139
Energy: 0.5945334037446522
Energy: 0.5891770643741103
Energy: 0.6132924405406313
Energy: 0.5606328794501939
Energy: 0.5612674118932561
Energy: 0.5884413084265276
Energy: 0.5362579629284978
Energy: 0.5622306596870006
Energy: 0.6032968943560042
Energy: 0.5627628727181644
Energy: 0.5729193020342701
Energy: 0.5982258948829257
Energy: 0.5760429098443682
Energy: 0.5890464674778663
Energy: 0.5921729751216069
Energy: 0.5863278057395389
Energy: 0.580406434015958
Energy: 0.5912495463142587
Energy: 0.5777888130310309
Energy: 0.5793613018367986
Energy: 0.5720929361767424
Energy: 0.5745262059140961
Energy: 0.5749767072551892
Energy: 0.5326397101033151
Energy: 0.5850898034997535
Energy: 0.552171852823802
Energy: 0.561571381683714
Energy: 0.5878860557388372
Energy: 0.5777899909415831
Energy: 0.5614790477386965
Energy: 0.5874694830810147
Energy: 0.5596941105562148
Energy: 0.5602977327993611
Energy: 0.5448993995673762
Energy: 0.5640451402913907
Energy: 0.5597032887173102
Energy: 0.5218744206331765
Energy: 0.5643983673773679
Energy: 0.5791029642168063
Energy: 0.5652508931768987
Energy: 0.5653482643436051
Energy: 0.5664463502413578
Energy: 0.5897084546746777
Energy: 0.5726035781551343
Energy: 0.578773311929461
Energy: 0.5391521658130904
Energy: 0.5382243839411652
Energy: 0.5779043090314726
Energy: 0.5512995438907269
Energy: 0.5377239714387455
Energy: 0.5764426039990006
Energy: 0.5554885344421269
Energy: 0.5635589201032115
Energy: 0.5554125224539453
Energy: 0.577633034731286
Energy: 0.5563461489512902
Energy: 0.5315914350414478
Energy: 0.5645949251918545
Energy: 0.5633920122902499
Energy: 0.530531869609432
Energy: 0.5548018050859967
Energy: 0.5289312130730623
Energy: 0.5305094689223215
Energy: 0.5525641848091248
Energy: 0.553142573211458
Energy: 0.5303867918149445
Energy: 0.5318390670033398
Energy: 0.5535294817526881
Energy: 0.5714756146027423
Energy: 0.5724947578263608
Energy: 0.5523249900761262
Energy: 0.5472340481442133
Energy: 0.5785294836032976
Energy: 0.553069116758226
Energy: 0.581684763768113
Energy: 0.52981711981371
Energy: 0.5287034949809805
Energy: 0.5732066347980049
Energy: 0.5314057614897442
Energy: 0.5281750900145724
Energy: 0.5803466129936979
Energy: 0.5546366747901406
Energy: 0.5645201762854433
Energy: 0.5747742606899916
Energy: 0.5756904682855938
Energy: 0.5630510572047611
Energy: 0.5417930402087834
Energy: 0.5549064330568352
Energy: 0.5637455162405833
Energy: 0.5403350544367408
Energy: 0.5562427113308591
Energy: 0.5389244215435559
Energy: 0.5410777301341448
Energy: 0.5670381174623167
Energy: 0.5671809031897481
Energy: 0.5408755364667448
Energy: 0.5668563027623446
Energy: 0.567087829520625
Energy: 0.5754543074182724
Energy: 0.5517008921686445
Energy: 0.5655696639334421
Energy: 0.5525255489727982
Energy: 0.5545981024465406
Energy: 0.5552411390105962
Energy: 0.5976204263583155
Energy: 0.5591297383377303
Energy: 0.5582338772774563
Energy: 0.597360613481113
Energy: 0.5604865889693657
Energy: 0.5625049224898149
Energy: 0.5941964464877618
Energy: 0.5629490116562057
Energy: 0.5636208058002162
Energy: 0.5943146292562436
Energy: 0.5408440132048433
Energy: 0.5760193580250351
Energy: 0.5929308943268633
Energy: 0.5639664115831137
Energy: 0.5647758874108659
Energy: 0.585035211489299
Energy: 0.5849975753580746
Energy: 0.5788959764471645
Energy: 0.5660669014260672
Energy: 0.5914519399915334
Energy: 0.5913498215093108
Energy: 0.5651545499222276
Energy: 0.5913937164661786
Energy: 0.5907401601300589
Energy: 0.5674551655634555
Energy: 0.5880983437366046
Energy: 0.5763745693183746
Energy: 0.5315358109410666
Energy: 0.5896266038361349
Energy: 0.5498808020075353
Energy: 0.5916633365436018
Energy: 0.5912147654600387
Energy: 0.5886399022188858
Energy: 0.5900236563768
Energy: 0.5871509732569348
Energy: 0.5909913163947625
Energy: 0.5886175715623045
Energy: 0.556515943997021
Energy: 0.5570336298959218
Energy: 0.5881228857460153
Energy: 0.5299647249919539
Energy: 0.5574702710316397
Energy: 0.6269044911081028
Energy: 0.558272474179343
Energy: 0.5830893531112555
Energy: 0.5861281574512683
Energy: 0.5668479706213443
Energy: 0.5837920944547149
Energy: 0.5601541514558227
Energy: 0.5863638373186707
Energy: 0.5854362013248321
Energy: 0.5598463148105627
Energy: 0.5880434615114517
Energy: 0.5762618922321205

minimum gb energy = 0.5218744206331765 eV
minimum distance =  2.35624960124331 Angstroms
sigma value = 67


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

Energy: 0.7570309362206996
Energy: 0.7279176263903512
Energy: 0.7478992987813662
Energy: 0.7347580554107763
Energy: 0.7335497066827841
Energy: 0.749053660466254
Energy: 0.8046565727794189
Energy: 0.7487213651086861
Energy: 0.7496396644877834
Energy: 0.7423008295936424
Energy: 0.7483187348576653
Energy: 0.7303654263580053
Energy: 0.8206903294540036
Energy: 0.718520663483476
Energy: 0.720551823487608
Energy: 0.7401093040129977
Energy: 0.7185959307271345
Energy: 0.7218290355906972
Energy: 0.7627032174284935
Energy: 0.7221595711899222
Energy: 0.7223801916646713
Energy: 0.7425843650891908
Energy: 0.7251600953940601
Energy: 0.7227296551051633
Energy: 0.7627572231578219
Energy: 0.7472409496988305
Energy: 0.7487129761098406
Energy: 0.7412011228066244
Energy: 0.7470148496668257
Energy: 0.7314770078401317
Energy: 0.7186539436746927
Energy: 0.7291466998393993
Energy: 0.7271145202083947
Energy: 0.7359135416655456
Energy: 0.7274930905224585
Energy: 0.7265629334082715
Energy: 0.7886666329978308
Energy: 0.747647342870572
Energy: 0.7500856299490284
Energy: 0.7387793347127396
Energy: 0.7462016009979254
Energy: 0.7393851276378753
Energy: 0.781556778569676
Energy: 0.7254943262322058
Energy: 0.7358875382318391
Energy: 0.7407211659501917
Energy: 0.7307926149220149
Energy: 0.738136547003289
Energy: 0.7497227766305412
Energy: 0.7384043307476703
Energy: 0.7514045708646847
Energy: 0.7493887787240617
Energy: 0.745101839023838
Energy: 0.7502786884483513
Energy: 0.7499426117895702
Energy: 0.7442160782968616
Energy: 0.7490151511238865
Energy: 0.7494838067959294
Energy: 0.7523426414906049
Energy: 0.7364866866163721
Energy: 0.7364401188700717
Energy: 0.7403147043136763
Energy: 0.7407068402070398
Energy: 0.7349810077608219
Energy: 0.7430936338465057
Energy: 0.7415941555955367
Energy: 0.7401328582596564
Energy: 0.7403676340817309
Energy: 0.741613212968026
Energy: 0.7408527777531208
Energy: 0.7443830876550246
Energy: 0.7356262524036752
Energy: 0.7303291395582301
Energy: 0.7365278980383414
Energy: 0.7363735038619765
Energy: 0.729692574844207
Energy: 0.7354869756125673
Energy: 0.7311398499907963
Energy: 0.7364222543159411
Energy: 0.7365668352896289
Energy: 0.7365032870451446
Energy: 0.7321504280277119
Energy: 0.743853362899466
Energy: 0.735983526046101
Energy: 0.7441442214330205
Energy: 0.7416239989952014
Energy: 0.7453776798660753
Energy: 0.7442359759217099
Energy: 0.737562996177288
Energy: 0.7329956401151687
Energy: 0.74404992571509
Energy: 0.7427949407054026
Energy: 0.7419512880876101
Energy: 0.7400787637455157
Energy: 0.7476947434922395
Energy: 0.741232686435603
Energy: 0.7535453521665555
Energy: 0.734609630543425
Energy: 0.7346819800228854
Energy: 0.7373041724918842
Energy: 0.7289401559815204
Energy: 0.7414200206915796
Energy: 0.7481090477109831
Energy: 0.7503985805147901
Energy: 0.7510962661348434
Energy: 0.7384351703356776
Energy: 0.7499826009615126
Energy: 0.7449184988383727
Energy: 0.7228265009815003
Energy: 0.7381570838383079
Energy: 0.7305432846989423
Energy: 0.7422651473624415
Energy: 0.7369618285523426
Energy: 0.7307711683879284
Energy: 0.7450433584440068
Energy: 0.7487703489524772
Energy: 0.7514413646918785
Energy: 0.744624614982837
Energy: 0.7434226700392127
Energy: 0.7518507097848471
Energy: 0.7432641206979953
Energy: 0.7324641703102645
Energy: 0.731711556072739
Energy: 0.7420434576058391
Energy: 0.7266320324749139
Energy: 0.7480372448351401
Energy: 0.8189519947746084
Energy: 0.7231612469016035
Energy: 0.7319869101780307
Energy: 0.7431068537792752
Energy: 0.7231160602699833
Energy: 0.746153280854181
Energy: 0.7852262497000215
Energy: 0.7495999107647165
Energy: 0.7516244573342458
Energy: 0.733911547766912
Energy: 0.7478560551920982
Energy: 0.7386388459468946

minimum gb energy = 0.718520663483476 eV
minimum distance =  2.36701937011633 Angstroms
sigma value = 33


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

Energy: 0.8939548076525816
Energy: 0.8433151483223369
Energy: 0.8714013077485592
Energy: 0.8547648373482685
Energy: 0.8738520304486594
Energy: 0.8783813578365404
Energy: 0.9203132931635851
Energy: 0.8861616466205859
Energy: 0.8742990471069049
Energy: 0.8561337809364503
Energy: 0.8819739280505707
Energy: 0.8736516123554255
Energy: 0.9704013548608427
Energy: 0.8641666711306751
Energy: 0.8557149867267783
Energy: 0.8747426303711953
Energy: 0.8655211677742178
Energy: 0.8549333665183746
Energy: 0.9155501588203232
Energy: 0.8555133779043408
Energy: 0.8555120506021457
Energy: 0.8747843952457882
Energy: 0.8563393398766822
Energy: 0.8563877270202666
Energy: 0.8639620288287646
Energy: 0.8860814182962251
Energy: 0.886200142427226
Energy: 0.8496600838935103
Energy: 0.8833588715282249
Energy: 0.8738582790408119
Energy: 0.8506381051310523
Energy: 0.8690094140375122
Energy: 0.871442014301235
Energy: 0.8677938947515121
Energy: 0.8678047461078968
Energy: 0.8605625003666999
Energy: 0.9255540614354411
Energy: 0.8752765935732739
Energy: 0.8754626970896402
Energy: 0.8728360850325388
Energy: 0.8859394333644945
Energy: 0.8769912939571181
Energy: 0.9235042769641532
Energy: 0.875588894765137
Energy: 0.8764947008082451
Energy: 0.8769391312756442
Energy: 0.8797924960136414
Energy: 0.875979991289538
Energy: 0.8762273569434724
Energy: 0.8772906293052307
Energy: 0.8832064391032435
Energy: 0.8784101688457356
Energy: 0.8729585908463198
Energy: 0.8809715973266707
Energy: 0.8778288757270888
Energy: 0.8785122331523129
Energy: 0.8798903810733322
Energy: 0.8777082887122727
Energy: 0.8809413017085636
Energy: 0.8820605057852413
Energy: 0.8722107241864026
Energy: 0.8730805912540756
Energy: 0.8735026309950781
Energy: 0.879404100603227
Energy: 0.877403097131007
Energy: 0.8733401895143186
Energy: 0.8959634556428407
Energy: 0.8795077566817244
Energy: 0.8700887772831405
Energy: 0.879932978456443
Energy: 0.864044294290626
Energy: 0.8715083947659882
Energy: 0.8954308279664803
Energy: 0.8826090960967719
Energy: 0.8797023826973152
Energy: 0.8823315296039664
Energy: 0.8779561532158265
Energy: 0.8727523518369513
Energy: 0.8632488348482324
Energy: 0.8751339733454472
Energy: 0.8760708682274725
Energy: 0.8793989955604243
Energy: 0.8734087677609343
Energy: 0.861795250920911
Energy: 0.8787997789570634
Energy: 0.8800439867015973
Energy: 0.8818473902684669
Energy: 0.8775425718710971
Energy: 0.8811345735777857
Energy: 0.8846004446314943
Energy: 0.8837585267444147
Energy: 0.8723642730367182
Energy: 0.8718247251516235
Energy: 0.881861456392385
Energy: 0.8533008868764634
Energy: 0.881905812869669
Energy: 0.9684472499743876
Energy: 0.8642652742537131
Energy: 0.8733051237834257
Energy: 0.8720836625631758
Energy: 0.8693740567463586
Energy: 0.8701882404213267
Energy: 0.9756676975809865
Energy: 0.8904888472289663
Energy: 0.882959971199755
Energy: 0.8757635959687186
Energy: 0.8866681412936808
Energy: 0.9018754450023424
Energy: 0.8296450944644896
Energy: 0.8729823806741402
Energy: 0.849710290351809
Energy: 0.8517486489446608
Energy: 0.8723409474950475
Energy: 0.8529525843052159
Energy: 0.8900651315188051
Energy: 0.8847345089720922
Energy: 0.8750466194307983
Energy: 0.858246379842517
Energy: 0.8794036754257115
Energy: 0.8737515757979416
Energy: 0.9813908057630952
Energy: 0.8590689322253902
Energy: 0.8549467446171133
Energy: 0.8751552891830575
Energy: 0.8566062119549382
Energy: 0.8551469900671715
Energy: 0.9055373807106497
Energy: 0.8642488308878189
Energy: 0.8561973730510588
Energy: 0.874370112538598
Energy: 0.8648480421097704
Energy: 0.8557739023556039
Energy: 0.8607017614461708
Energy: 0.8865398609516211
Energy: 0.8738672993285573
Energy: 0.8630883861581115
Energy: 0.8854585805722702
Energy: 0.8737804153847547
Energy: 0.8490976860065996
Energy: 0.8695089865821939
Energy: 0.8708564939866977
Energy: 0.8685711390807526
Energy: 0.8680778885241935
Energy: 0.8635511685475497
Energy: 0.9259325209747489
Energy: 0.8793021440540832
Energy: 0.8772041088111339
Energy: 0.8740568810645627
Energy: 0.8786820794031927
Energy: 0.8932086450024763
Energy: 0.9237950631426557
Energy: 0.8759601646246751
Energy: 0.8777224915994237
Energy: 0.8767805345547272
Energy: 0.8783456979876971
Energy: 0.8774624879405172
Energy: 0.8750005630875828
Energy: 0.8785246549762958
Energy: 0.882448314692225
Energy: 0.8752417271169394
Energy: 0.8813100523692945
Energy: 0.8803035314003917
Energy: 0.8778053783333457
Energy: 0.8795325178899377
Energy: 0.8809931658348975
Energy: 0.8775073970477557
Energy: 0.8812007850320683
Energy: 0.8829522902222678
Energy: 0.8717773397781395
Energy: 0.8812132426056848
Energy: 0.8706052322072421
Energy: 0.877877496883554
Energy: 0.8778145180183388
Energy: 0.8700602160901288
Energy: 0.898881758546171
Energy: 0.8754819084458298
Energy: 0.8703608818318294
Energy: 0.8820610473833616
Energy: 0.8631807414685484
Energy: 0.871011775402789
Energy: 0.8958285775550852
Energy: 0.8815193425488494
Energy: 0.8737982258200988
Energy: 0.8798365492105664
Energy: 0.8801421058988513
Energy: 0.8776884923781653
Energy: 0.8638168732917477
Energy: 0.8753062524391255
Energy: 0.8764498804661303
Energy: 0.8765172688141177
Energy: 0.8751070365328945
Energy: 0.8711218714462178
Energy: 0.8777193710465402
Energy: 0.878870145813549
Energy: 0.880920224815365
Energy: 0.8690423364948505
Energy: 0.8798806208361103
Energy: 0.8835154887141558
Energy: 0.8830076095418989
Energy: 0.8736663625637996
Energy: 0.880325301572641
Energy: 0.88244600427012
Energy: 0.8527884520780118
Energy: 0.8820269087957623
Energy: 0.9674546335911229
Energy: 0.8642638179604374
Energy: 0.8723860064811862
Energy: 0.8713893008172422
Energy: 0.8698356676540219
Energy: 0.8690831227671195
Energy: 0.9747256779344263
Energy: 0.8862619280975579
Energy: 0.8867069386990265
Energy: 0.8774060989147853
Energy: 0.8878439269335072
Energy: 0.8842185476427156
Energy: 0.8294152509779106
Energy: 0.8727013458878866
Energy: 0.8514054877754067
Energy: 0.8591853239363051
Energy: 0.8727866547468016
Energy: 0.8525545844282124

minimum gb energy = 0.8294152509779106 eV
minimum distance =  2.40020865783451 Angstroms
sigma value = 41


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

Energy: 1.112559277499225
Energy: 1.13639562710245
Energy: 1.1462777257968149
Energy: 1.096860957761264
Energy: 1.1444029238213504
Energy: 1.0970847775895105
Energy: 1.2127131794025274
Energy: 1.1034589281377256
Energy: 1.1053585361871432
Energy: 1.1107665125788975
Energy: 1.1016413646794676
Energy: 1.106881690689816
Energy: 1.209974955963519
Energy: 1.0781701981748784
Energy: 1.0755783767898544
Energy: 1.1045258081227658
Energy: 1.0805264191614135
Energy: 1.0769149881684512
Energy: 1.107677118825563
Energy: 1.0776974467487794
Energy: 1.0758587071541617
Energy: 1.104095360687145
Energy: 1.0784394502256667
Energy: 1.1096942893587707
Energy: 1.10913742569952
Energy: 1.101282183288103
Energy: 1.106495307504946
Energy: 1.1106923925494012
Energy: 1.1017793546239718
Energy: 1.089251789444293
Energy: 1.0817337486684724
Energy: 1.0997191703770206
Energy: 1.0879515497758432
Energy: 1.0768207136504109
Energy: 1.1002610998794955
Energy: 1.0883293180316496
Energy: 1.156180535665211
Energy: 1.1106219975760403
Energy: 1.1026632808298193
Energy: 1.1082539026567055
Energy: 1.11047761054899
Energy: 1.118163658708901
Energy: 1.1721727008820682
Energy: 1.0907591602837863
Energy: 1.0887831004752608
Energy: 1.0921098898228414
Energy: 1.0888759011158486
Energy: 1.0888127372182428
Energy: 1.0815908610949958
Energy: 1.08986916286805
Energy: 1.0872893827816126
Energy: 1.0846882541641543
Energy: 1.0907428423722494
Energy: 1.0870446564005147
Energy: 1.0976492702985334
Energy: 1.0912179372354351
Energy: 1.0881229588398234
Energy: 1.0941159260671498
Energy: 1.0956785230366817
Energy: 1.0875752690166973
Energy: 1.0972507260034106
Energy: 1.1074039812705907
Energy: 1.116443829005859
Energy: 1.09955150673085
Energy: 1.1012921347480715
Energy: 1.088172638073192
Energy: 1.2544395695563175
Energy: 1.084685735767881
Energy: 1.0841094851153628
Energy: 1.10021306615442
Energy: 1.0844959175229638
Energy: 1.0821802967411223
Energy: 1.2549046198899418
Energy: 1.1120188285011874
Energy: 1.1101071706294778
Energy: 1.1046102657469397
Energy: 1.1089785042774087
Energy: 1.0903863157922347
Energy: 1.072456680447929
Energy: 1.1008506717423245
Energy: 1.0822270804853211
Energy: 1.0722437848294153
Energy: 1.1006825690493482
Energy: 1.0813503634042592

minimum gb energy = 1.0722437848294153 eV
minimum distance =  2.39637164340541 Angstroms
sigma value = 11


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

Energy: 1.3170289624410512
Energy: 1.3544019423325664
Energy: 1.3329643880685214
Energy: 1.3137547516509045
Energy: 1.3066806691991417
Energy: 1.336578046977184
Energy: 1.4976324151602793
Energy: 1.2528674646614817
Energy: 1.2438768414235961
Energy: 1.2601989604861528
Energy: 1.2582168998265957
Energy: 1.2580132545490756
Energy: 1.5054917199997402
Energy: 1.24824372705208
Energy: 1.2475557807943813
Energy: 1.2625312907835113
Energy: 1.2488100619084304
Energy: 1.2614759217725684
Energy: 1.2906078597074306
Energy: 1.2479687697153086
Energy: 1.2615149846198264
Energy: 1.2641359838438708
Energy: 1.248658533976028
Energy: 1.2607506815077938
Energy: 1.2903634145980707
Energy: 1.2595355879217616
Energy: 1.256465464366889
Energy: 1.2633650517890551
Energy: 1.2555509679365453
Energy: 1.2560886274953347
Energy: 1.2903067419022234
Energy: 1.239605879297978
Energy: 1.2393046719319518
Energy: 1.2554718029003515
Energy: 1.2409054062727396
Energy: 1.2554446420451422
Energy: 1.300536276787444
Energy: 1.2395784625237904
Energy: 1.2392772978565492
Energy: 1.2475435765570002
Energy: 1.2365061247605222
Energy: 1.2389709090387344
Energy: 1.314703240751795
Energy: 1.2564321959385354
Energy: 1.2567129414690226
Energy: 1.255995874411112
Energy: 1.2646792045238586
Energy: 1.2562827899931521
Energy: 1.294876516489898
Energy: 1.2617351436018613
Energy: 1.2611503971482607
Energy: 1.2441513893963816
Energy: 1.2618156372377785
Energy: 1.2521902577799184
Energy: 1.29334802513545
Energy: 1.26165267040771
Energy: 1.260989644605911
Energy: 1.2440218700482808
Energy: 1.2623781469158568
Energy: 1.2522968774135899
Energy: 1.34739249926946
Energy: 1.2587519115963217
Energy: 1.2582711293875217
Energy: 1.250609879149101
Energy: 1.257898088974956
Energy: 1.2470267073867694
Energy: 1.3123169334817624
Energy: 1.243629966450047
Energy: 1.2432492621696793
Energy: 1.2834104082904674
Energy: 1.2399779925507022
Energy: 1.2436927822701809
Energy: 1.3095133832841683
Energy: 1.258665674644802
Energy: 1.2518414916400278
Energy: 1.252106603840038
Energy: 1.26130859938624
Energy: 1.2591506540650226
Energy: 1.288291724146703
Energy: 1.2525327075589017
Energy: 1.2526296940561468
Energy: 1.248442065620829
Energy: 1.2622790815441205
Energy: 1.2524415134444908
Energy: 1.2953297527964176
Energy: 1.2543142555339657
Energy: 1.2527194409668445
Energy: 1.2439358571983556
Energy: 1.2534300100868752
Energy: 1.2532728579888166
Energy: 1.3786245429099062
Energy: 1.254292811095085
Energy: 1.2541876838789632
Energy: 1.25284616202516
Energy: 1.2518055289101562
Energy: 1.2543425225810296
Energy: 1.2973344940342109
Energy: 1.2535769678363544
Energy: 1.2541480236680282
Energy: 1.2769178506682608
Energy: 1.2532219983699815
Energy: 1.2546707530735592
Energy: 1.2839440901045382
Energy: 1.2884756008400333
Energy: 1.2651738385246103
Energy: 1.253093545764206
Energy: 1.2710934367234148
Energy: 1.2269823344758537
Energy: 1.2852203004747502
Energy: 1.2553624216528756
Energy: 1.254374154319777
Energy: 1.2768712084559508
Energy: 1.252830644527886
Energy: 1.2529095583575784
Energy: 1.2876705822773826
Energy: 1.2485690726751024
Energy: 1.2476277052518878
Energy: 1.2767525087047453
Energy: 1.2499472708670984
Energy: 1.2654774146061467
Energy: 1.4188281143026777
Energy: 1.248039556623973
Energy: 1.2574137502894618
Energy: 1.259895710044103
Energy: 1.2505524611518883
Energy: 1.2595893294285216
Energy: 1.3316228271333017
Energy: 1.2597653478304673
Energy: 1.25924480171266
Energy: 1.2614839294691067
Energy: 1.2690673774532817
Energy: 1.269261534575866
Energy: 1.2969547773807173
Energy: 1.2789809310452886
Energy: 1.2575955082068633
Energy: 1.2447527820795006
Energy: 1.280380992012073
Energy: 1.2521261626477762
Energy: 1.39178877118709
Energy: 1.2692923527868163
Energy: 1.2525613263817625
Energy: 1.2528167466833129
Energy: 1.2829354530600596
Energy: 1.2536230119227398
Energy: 1.3403653759249843
Energy: 1.2528130184417323
Energy: 1.2521829212937203
Energy: 1.288282274496321
Energy: 1.251125358879939
Energy: 1.2446442596673224
Energy: 1.291503045449327
Energy: 1.2535435804290473
Energy: 1.2549379404227377
Energy: 1.2532052493704435
Energy: 1.2674154683584378
Energy: 1.2536395479904645
Energy: 1.2936805300155902
Energy: 1.258414455588161
Energy: 1.2546592747566825
Energy: 1.2517667836074655
Energy: 1.2526827071673838
Energy: 1.2538909825642177
Energy: 1.290308647273136
Energy: 1.2573505600598862
Energy: 1.2541026598762046
Energy: 1.252910605703629
Energy: 1.2549362908369792
Energy: 1.2527202049500656
Energy: 1.302865231807971
Energy: 1.2476169045806462
Energy: 1.246961715385602
Energy: 1.2706517787390887
Energy: 1.2479814196211445
Energy: 1.2467374274723382
Energy: 1.5066450447935016
Energy: 1.282498529401419
Energy: 1.2534552269799584
Energy: 1.2591983163723053
Energy: 1.2510783388290674
Energy: 1.2535059904339108
Energy: 1.2967824194544444
Energy: 1.2823390211860872
Energy: 1.2491327786213644
Energy: 1.2431251167864728
Energy: 1.2826728022180158
Energy: 1.2503756906189687

minimum gb energy = 1.2269823344758537 eV
minimum distance =  2.36136103860027 Angstroms
sigma value = 57


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

Energy: 1.9240798462931952
Energy: 1.3962504182943014
Energy: 1.3914341156622105
Energy: 1.3928424473467975
Energy: 1.4735160033592931
Energy: 1.391585400157198
Energy: 1.526112684266356
Energy: 1.3455896424902791
Energy: 1.344195402855888
Energy: 1.3453633466450845
Energy: 1.3434897930850753
Energy: 1.3435086200615396
Energy: 1.5412321210730762
Energy: 1.3292786517273665
Energy: 1.328765372358353
Energy: 1.345267690314137
Energy: 1.3303295144775686
Energy: 1.343075094265515
Energy: 1.4041367769195119
Energy: 1.3441454359517067
Energy: 1.3426244190451324
Energy: 1.3448639586554536
Energy: 1.329816412725437
Energy: 1.3421331067461122
Energy: 1.3870662915691114
Energy: 1.3437362071564323
Energy: 1.341767355384259
Energy: 1.3452770486414654
Energy: 1.3454248393326762
Energy: 1.34117609392157
Energy: 1.4010927394134696
Energy: 1.3448841523494832
Energy: 1.343600988893433
Energy: 1.3434167781893174
Energy: 1.3451706961305359
Energy: 1.3424991494908645
Energy: 1.4096390849445872
Energy: 1.3292380596940276
Energy: 1.3290258362792766
Energy: 1.3457255087644477
Energy: 1.330137984099884
Energy: 1.3413624022578179
Energy: 1.5365430960225113
Energy: 1.344488470204432
Energy: 1.3429727076792346
Energy: 1.3443168519924023
Energy: 1.3464424709041853
Energy: 1.3423768014071673
Energy: 1.4115272679541528
Energy: 1.3454650309235965
Energy: 1.3312732917954226
Energy: 1.3327751385038313
Energy: 1.3497724226744778
Energy: 1.331191774624821
Energy: 1.4164697643164952
Energy: 1.344533389049995
Energy: 1.3308719847769772
Energy: 1.332773998697085
Energy: 1.349101785450325
Energy: 1.3309673506673578
Energy: 1.5317666696961159
Energy: 1.3456215866687307
Energy: 1.3440371856861522
Energy: 1.3444143536949948
Energy: 1.346496567625215
Energy: 1.3433092176872539
Energy: 1.4063453721691417
Energy: 1.3292008980800125
Energy: 1.3285385545602213
Energy: 1.345731114179148
Energy: 1.3303854525308612
Energy: 1.3441815432383772
Energy: 1.3883532392014968
Energy: 1.3443730244190424
Energy: 1.342293313170816
Energy: 1.3453830737271428
Energy: 1.3480441255608575
Energy: 1.3414781128019808
Energy: 1.4047583314185714
Energy: 1.3448982605282074
Energy: 1.3432335862714744
Energy: 1.3434550445111957
Energy: 1.34459722617032
Energy: 1.3422773455496277
Energy: 1.3843445303173303
Energy: 1.3318695235070657
Energy: 1.3412308880697101
Energy: 1.350596286432398
Energy: 1.328371509623911
Energy: 1.341425778317084
Energy: 1.5529334414499505
Energy: 1.3320457733079372
Energy: 1.3307876693740686
Energy: 1.344730781244125
Energy: 1.3357609151082364
Energy: 1.3439734895241442
Energy: 1.400816228514158
Energy: 1.3448642426718307
Energy: 1.3440968059648297
Energy: 1.3323437741648285
Energy: 1.3435961266364993
Energy: 1.3441540166484227

minimum gb energy = 1.328371509623911 eV
minimum distance =  2.36350574918435 Angstroms
sigma value = 9


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

Energy: 1.5112796555930135
Energy: 1.4905007363219818
Energy: 1.3912213955958879
Energy: 1.3923071436797179
Energy: 1.4880192411485467
Energy: 1.3911851842301552
Energy: 1.5073195940254145
Energy: 1.3644764115728865
Energy: 1.3651689505051232
Energy: 1.3620307272848735
Energy: 1.3667339488626116
Energy: 1.3812436856620762
Energy: 1.4930435963009872
Energy: 1.4169515555227614
Energy: 1.3805361061775943
Energy: 1.3591107005058878
Energy: 1.4021542192953729
Energy: 1.3799629243320048
Energy: 1.37630504315437
Energy: 1.378882842137572
Energy: 1.3812223114386013
Energy: 1.3660262518938031
Energy: 1.392558515437193
Energy: 1.3819223187718135
Energy: 1.376908732405511
Energy: 1.3392636016931887
Energy: 1.3395273144984834
Energy: 1.3643208677185938
Energy: 1.3142876306137479
Energy: 1.3423173596450146
Energy: 1.3756828769080287
Energy: 1.3468804155214342
Energy: 1.3456714374185128
Energy: 1.3514667368977928
Energy: 1.3501102628576618
Energy: 1.3456027170235194
Energy: 1.4222656583937356
Energy: 1.4277380432778726
Energy: 1.3819126433621147
Energy: 1.3367728757672233
Energy: 1.4302510169307459
Energy: 1.3820049650020525
Energy: 1.5133252511784137
Energy: 1.3490490935231785
Energy: 1.3467339001081797
Energy: 1.3462603992663182
Energy: 1.3477236357731082
Energy: 1.346245262715015
Energy: 1.4835131448152676
Energy: 1.3467423042141669
Energy: 1.3458485558499809
Energy: 1.3935447641677146
Energy: 1.3469070931799116
Energy: 1.377100600741027
Energy: 1.4807211902451667
Energy: 1.3466045722547597
Energy: 1.3455099263642938
Energy: 1.3952832760935252
Energy: 1.3483664509787905
Energy: 1.3459662931109708
Energy: 1.5143717545605604
Energy: 1.3600907494142829
Energy: 1.3557896782366892
Energy: 1.3471386669263514
Energy: 1.3462247409481736
Energy: 1.354847456557412
Energy: 1.46999087954884
Energy: 1.3621996369808413
Energy: 1.3790432130541423
Energy: 1.36728400967156
Energy: 1.3618112382137852
Energy: 1.3807100681742575
Energy: 1.4658932496453048
Energy: 1.386095092412331
Energy: 1.3866877568538214
Energy: 1.431694281113658
Energy: 1.3862798804136087
Energy: 1.4214572581722493
Energy: 1.4659986452166862
Energy: 1.3831026388245775
Energy: 1.3820484327825242
Energy: 1.4388171583389409
Energy: 1.3629879575518342
Energy: 1.3820617239503996
Energy: 1.4713727869201454
Energy: 1.3448160168410443
Energy: 1.3440554162457534
Energy: 1.3657706800837843
Energy: 1.345826494495296
Energy: 1.3643419262824608
Energy: 1.4451129831218386
Energy: 1.3908776958821731
Energy: 1.3438751312547523
Energy: 1.3433172785414993
Energy: 1.392728054197629
Energy: 1.3443591036822853
Energy: 1.430250298667788
Energy: 1.3791100098316318
Energy: 1.377996170131424
Energy: 1.3960553685818768
Energy: 1.3623155384490202
Energy: 1.3789167775479256
Energy: 1.4284563591492125
Energy: 1.3426850575726617
Energy: 1.4002527556380995
Energy: 1.4048617713523144
Energy: 1.3654667816158808
Energy: 1.4009260643927288
Energy: 1.4627080527428116
Energy: 1.3990920562425813
Energy: 1.4132119322244991
Energy: 1.4156670727876763
Energy: 1.3758199583939903
Energy: 1.4130846346800212
Energy: 1.4516386671522323
Energy: 1.4184894843126226
Energy: 1.4151377673093373
Energy: 1.4159070025286447
Energy: 1.404957978634557
Energy: 1.3625637785700881
Energy: 1.4723022505352883
Energy: 1.3642293104557608
Energy: 1.3650891834606464
Energy: 1.3453005104816034
Energy: 1.3653415673180886
Energy: 1.3662779870664432

minimum gb energy = 1.3142876306137479 eV
minimum distance =  2.33316874538928 Angstroms
sigma value = 27


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

Energy: 1.4955101232189132
Energy: 1.3588033025689297
Energy: 1.3676995459437131
Energy: 1.367117550978743
Energy: 1.3593918094961392
Energy: 1.367855251323784
Energy: 1.4351637094360827
Energy: 1.3511044349184216
Energy: 1.3498071687756275
Energy: 1.3553519930112836
Energy: 1.3535806288328884
Energy: 1.3498216668755583
Energy: 1.432530118365394
Energy: 1.357276395590203
Energy: 1.357992191571926
Energy: 1.3626986062747612
Energy: 1.3533287573708008
Energy: 1.3587342023755598
Energy: 1.3852423533462999
Energy: 1.355564285423993
Energy: 1.355360467558325
Energy: 1.360557077606922
Energy: 1.357325998144902
Energy: 1.3554473770394695
Energy: 1.3605626513594669
Energy: 1.360510441150214
Energy: 1.355533192763067
Energy: 1.3565023045021596
Energy: 1.3638006843050465
Energy: 1.3554647280700092
Energy: 1.3738412976866547
Energy: 1.349980299884627
Energy: 1.34846473025706
Energy: 1.3547145161153582
Energy: 1.352429987171832
Energy: 1.347717887510084
Energy: 1.3862252343250732
Energy: 1.3409216365425163
Energy: 1.340512339852954
Energy: 1.361156843145558
Energy: 1.3422265027340148
Energy: 1.3407589114892957
Energy: 1.434465800424357
Energy: 1.3430176612486577
Energy: 1.354410806750712
Energy: 1.360624270872494
Energy: 1.346942656837731
Energy: 1.3539469632412147
Energy: 1.4330774601012959
Energy: 1.3598628620034428
Energy: 1.358052337293846
Energy: 1.3592839259102734
Energy: 1.3621880882581276
Energy: 1.3574490062333917
Energy: 1.4321629572870207
Energy: 1.3577082031437804
Energy: 1.3558337603818178
Energy: 1.3612135249740402
Energy: 1.3603371048243469
Energy: 1.3533797654677258
Energy: 1.4318435458848866
Energy: 1.3586203245152224
Energy: 1.3575022821924942
Energy: 1.362946558689672
Energy: 1.3552750776053204
Energy: 1.3575206302410994
Energy: 1.4343110621952373
Energy: 1.349582562438893
Energy: 1.3477661457641055
Energy: 1.3612131102916358
Energy: 1.3521597020771514
Energy: 1.3496431391333916
Energy: 1.3650005334122168
Energy: 1.3568617265551144
Energy: 1.340808240933724
Energy: 1.3463940519202755
Energy: 1.3586982161734198
Energy: 1.346296398735364
Energy: 1.3588010732914302
Energy: 1.3602620098084488
Energy: 1.3585799352231966
Energy: 1.346285165358914
Energy: 1.3625889753714575
Energy: 1.3393112302055163
Energy: 1.4375975893148216
Energy: 1.3569313406950325
Energy: 1.354791019989626
Energy: 1.3619609466810472
Energy: 1.359640882544895
Energy: 1.3534348460680454
Energy: 1.385878296130825
Energy: 1.3578970751227848
Energy: 1.3585981385409438
Energy: 1.3622512192708944
Energy: 1.3584284694994961
Energy: 1.3615179204618002
Energy: 1.3627694732781108
Energy: 1.3550012997055638
Energy: 1.3531836002212707
Energy: 1.3540005273293516
Energy: 1.3590108465554396
Energy: 1.352598678490669
Energy: 1.3706097137516278
Energy: 1.3581220591152856
Energy: 1.3551936077838969
Energy: 1.3608409323956545
Energy: 1.3604888892999532
Energy: 1.3535615696334258
Energy: 1.3900880572080916
Energy: 1.3440733065175987
Energy: 1.3421166065347208
Energy: 1.3612432739015696
Energy: 1.3459019248475235
Energy: 1.3417130535213644
Energy: 1.4337695011318718
Energy: 1.343777312563207
Energy: 1.341939902517861
Energy: 1.3595821107594581
Energy: 1.3458799488840212
Energy: 1.3415396174900276
Energy: 1.4334008731277081
Energy: 1.357348173642574
Energy: 1.3557387656406663
Energy: 1.3617617321712419
Energy: 1.3590852532333606
Energy: 1.3555348176516653
Energy: 1.3621321989513788
Energy: 1.3585025896244893
Energy: 1.3588042874435187
Energy: 1.3613975804067047
Energy: 1.3579954138097716
Energy: 1.3581317895293799
Energy: 1.4326309667885913
Energy: 1.349349758705449
Energy: 1.3488177887891082
Energy: 1.3547780547308432
Energy: 1.3530285490421028
Energy: 1.348401677104192
Energy: 1.4316651923537802
Energy: 1.3589504648710504
Energy: 1.3588731388307584
Energy: 1.359076993619777
Energy: 1.360770855155063
Energy: 1.3601053612958447
Energy: 1.3589204466641702
Energy: 1.3603899776138095
Energy: 1.3580598024996349
Energy: 1.3463216816965868
Energy: 1.3627789994548583
Energy: 1.3393660778595744

minimum gb energy = 1.3393112302055163 eV
minimum distance =  2.3311224265898 Angstroms
sigma value = 19


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

Energy: 1.4321552841353302
Energy: 1.2677156418376705
Energy: 1.3675735785610426
Energy: 1.3066139658472815
Energy: 1.2872299895851569
Energy: 1.3772796321698693
Energy: 1.456067132767172
Energy: 1.3312855393591907
Energy: 1.3293043990813425
Energy: 1.3328724314865097
Energy: 1.2739724999553022
Energy: 1.329064727111447
Energy: 1.412062958668225
Energy: 1.3115309534500408
Energy: 1.311802713060758
Energy: 1.2853119999928393
Energy: 1.317944230832909
Energy: 1.3107726234256027
Energy: 1.3865985499455156
Energy: 1.328773576190344
Energy: 1.326443937745764
Energy: 1.3270254185202943
Energy: 1.3326872801923353
Energy: 1.3262167746980438
Energy: 1.380117850694492
Energy: 1.2856416791543968
Energy: 1.2975708306020206
Energy: 1.330162222070933
Energy: 1.2901850668174617
Energy: 1.2977944502415137
Energy: 1.3862206858765258
Energy: 1.3294800003501717
Energy: 1.327820877389742
Energy: 1.2693347226069434
Energy: 1.332483870517411
Energy: 1.3274704719763037
Energy: 1.3871164276901315
Energy: 1.3118651549923401
Energy: 1.2960627065092933
Energy: 1.2919722210023752
Energy: 1.3169868594577145
Energy: 1.2976369875615412
Energy: 1.3898556331912588
Energy: 1.3186949354410746
Energy: 1.330412528635849
Energy: 1.2556206033988573
Energy: 1.3161488985214904
Energy: 1.3301017805617483
Energy: 1.3741969804241554
Energy: 1.3089085447645346
Energy: 1.3094454472630233
Energy: 1.2667519837628871
Energy: 1.3125490586954764
Energy: 1.3087436428317922
Energy: 1.3694337079721486
Energy: 1.3191993492850735
Energy: 1.3169111025962559
Energy: 1.3121408419274339
Energy: 1.3188920878387282
Energy: 1.316208201137126
Energy: 1.3769199207925016
Energy: 1.2859715676489347
Energy: 1.289495866799299
Energy: 1.3052294309731374
Energy: 1.2863559963006397
Energy: 1.2882578312438855
Energy: 1.3859651015183885
Energy: 1.3205794439440932
Energy: 1.3185946214497575
Energy: 1.2995691265768419
Energy: 1.2970034522159946
Energy: 1.3182268185111374
Energy: 1.3982246003256484
Energy: 1.2567995112612957
Energy: 1.2977105427766387
Energy: 1.3207427199974084
Energy: 1.2570391868599569
Energy: 1.3028707716255272
Energy: 1.443629093352153
Energy: 1.2231403757261012
Energy: 1.3183216938984466
Energy: 1.30357262915917
Energy: 1.2232337390098318
Energy: 1.319211306146569
Energy: 1.3870641175897096
Energy: 1.2841985546746426
Energy: 1.2796836891781365
Energy: 1.2905315209492036
Energy: 1.265974329446415
Energy: 1.279286599999119
Energy: 1.38832649957944
Energy: 1.310339721875424
Energy: 1.3078587994986142
Energy: 1.3078818388821773
Energy: 1.3140386616318669
Energy: 1.3071929381816496
Energy: 1.383540145751931
Energy: 1.2830145077185482
Energy: 1.3003604823663601
Energy: 1.3249345985761058
Energy: 1.2717525117520148
Energy: 1.3020209941765093
Energy: 1.4128917301777577
Energy: 1.2692026032269186
Energy: 1.3099057300521002
Energy: 1.2266458725804832
Energy: 1.2697131812820037
Energy: 1.3105693484743919
Energy: 1.3872177934407546
Energy: 1.3178522833555375
Energy: 1.3184499874757611
Energy: 1.2934190169490403
Energy: 1.3222333523530865
Energy: 1.2697469865499005
Energy: 1.3507040836535684
Energy: 1.317633840205504
Energy: 1.318483215997868
Energy: 1.253461209652941
Energy: 1.3208925297370735
Energy: 1.2691744086194157
Energy: 1.3599439019273059
Energy: 1.3058783113210186
Energy: 1.3107790877975667
Energy: 1.3090241328704624
Energy: 1.3058287571927347
Energy: 1.3105625184035086
Energy: 1.3595142459759735
Energy: 1.3208814888099978
Energy: 1.3187709105001586
Energy: 1.3230040804955512
Energy: 1.3199957258666102
Energy: 1.3185608452683082
Energy: 1.352371099372158
Energy: 1.3057770385261822
Energy: 1.3033213515765503
Energy: 1.238411284488208
Energy: 1.3074270643107526
Energy: 1.2277683130392845
Energy: 1.3997634239368633
Energy: 1.3050234341284275
Energy: 1.3066020729766035
Energy: 1.2569709478018216
Energy: 1.303100788652576
Energy: 1.251990487679106
Energy: 1.4027526068107938
Energy: 1.3059362690331535
Energy: 1.3210832181787904
Energy: 1.3281773119303328
Energy: 1.305391996856487
Energy: 1.320775798262615
Energy: 1.3890777995608692
Energy: 1.2896157704250448
Energy: 1.2981353392314927
Energy: 1.3304554847133883
Energy: 1.2847090924901887
Energy: 1.3008337467907087
Energy: 1.3989443991723896
Energy: 1.3200789241394564
Energy: 1.3191109134074943
Energy: 1.321767886709528
Energy: 1.3187067096621643
Energy: 1.3191375447059928
Energy: 1.4118499004527434
Energy: 1.3095061791772555
Energy: 1.3336047231520867
Energy: 1.3110452087673974
Energy: 1.2797914330801778
Energy: 1.3311445318824933
Energy: 1.4123023979010276
Energy: 1.2555427334340004
Energy: 1.255493690580109
Energy: 1.3028916131191082
Energy: 1.255876482982353
Energy: 1.2520000174077068

minimum gb energy = 1.2231403757261012 eV
minimum distance =  2.33368374207411 Angstroms
sigma value = 101


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

Energy: 2.1220121605084095
Energy: 1.2351348459112979
Energy: 1.2478474900708223
Energy: 1.2058025874230178
Energy: 1.234724626253837
Energy: 1.2061427821933286
Energy: 1.3809202845844095
Energy: 1.2503609368435147
Energy: 1.2493504902359405
Energy: 1.2551733318800675
Energy: 1.210220337842184
Energy: 1.248976665179413
Energy: 1.3764213540620371
Energy: 1.2342698345978795
Energy: 1.2347079092092814
Energy: 1.2382469026455252
Energy: 1.251144735462234
Energy: 1.2336959819151017
Energy: 1.3389893035825278
Energy: 1.248711642338139
Energy: 1.2462217551172137
Energy: 1.235988054485395
Energy: 1.2528072411570412
Energy: 1.2458410439325287
Energy: 1.32339173558795
Energy: 1.2346599899406125
Energy: 1.2370469087510805
Energy: 1.2468599205981523
Energy: 1.2552151193052352
Energy: 1.2531947425096697
Energy: 1.3364263328824288
Energy: 1.2490690036891323
Energy: 1.2469907958113404
Energy: 1.2222881707366346
Energy: 1.252600978402765
Energy: 1.2465173271173837
Energy: 1.3540416977161693
Energy: 1.23290000662979
Energy: 1.2311367376462516
Energy: 1.2634889604089576
Energy: 1.246431101033274
Energy: 1.229733471394951
Energy: 1.323503393059349
Energy: 1.2508334316485228
Energy: 1.2496246749593134
Energy: 1.209673480797727
Energy: 1.250490788926982
Energy: 1.2422556389762347
Energy: 1.3145928563887432
Energy: 1.2332461449311527
Energy: 1.2284816435023693
Energy: 1.2247773169452847
Energy: 1.2333875662977747
Energy: 1.2387720577346317
Energy: 1.3180353165720442
Energy: 1.2516514047062248
Energy: 1.2487248816009475
Energy: 1.2247608163647619
Energy: 1.2560220807983937
Energy: 1.2480215988011625
Energy: 1.3400936581802874
Energy: 1.207888583512198
Energy: 1.2076377953841735
Energy: 1.2342868966031542
Energy: 1.2075336062680835
Energy: 1.2136063919106335
Energy: 1.357177970741616
Energy: 1.250073768524235
Energy: 1.2483661047263783
Energy: 1.2071536820443345
Energy: 1.2247928878538095
Energy: 1.2486904636970446
Energy: 1.3413015396852612
Energy: 1.2361281736574017
Energy: 1.236241305381966
Energy: 1.2488133704944109
Energy: 1.2364600006412352
Energy: 1.2375097581544972
Energy: 1.3320696900056759
Energy: 1.23337140911909
Energy: 1.2475338546541568
Energy: 1.2519672713961125
Energy: 1.2015936506717675
Energy: 1.2509556669743815
Energy: 1.3562688491144772
Energy: 1.2133352219885731
Energy: 1.2239732205819214
Energy: 1.2413279483307764
Energy: 1.236018105843026
Energy: 1.230724948315398
Energy: 1.3777959335691616
Energy: 1.2489638096914881
Energy: 1.2463112364821893
Energy: 1.2530645493888772
Energy: 1.22242087765407
Energy: 1.2460739291547147
Energy: 1.3317249690625124
Energy: 1.2561830733175392
Energy: 1.2328772116399294
Energy: 1.2459243730571752
Energy: 1.2596462133815696
Energy: 1.240299617912808
Energy: 1.4132082185896333
Energy: 1.2199658777666007
Energy: 1.2325899677918295
Energy: 1.2485123005345142
Energy: 1.2203859566238446
Energy: 1.2473866944813585
Energy: 1.3786218745560093
Energy: 1.2511618126592523
Energy: 1.2427616120909868
Energy: 1.2347584152525064
Energy: 1.2440172000667316
Energy: 1.233480345291758
Energy: 1.334412891086616
Energy: 1.2505799152992276
Energy: 1.2487003223033655
Energy: 1.2320351282862738
Energy: 1.2535488675016517
Energy: 1.2485239509927324
Energy: 1.3241829707873785
Energy: 1.2320628237232703
Energy: 1.232427539179143
Energy: 1.2491252635486108
Energy: 1.232961126326031
Energy: 1.2461109757834405
Energy: 1.3355943448714462
Energy: 1.2496732851889836
Energy: 1.2474581186789042
Energy: 1.2225589901305807
Energy: 1.2340995028299453
Energy: 1.2472339225219122
Energy: 1.3358132666924698
Energy: 1.2398739483488632
Energy: 1.2389283661777621
Energy: 1.2098381667247107
Energy: 1.24136577336245
Energy: 1.238573670458367
Energy: 1.3408939031944254
Energy: 1.2463143480438368
Energy: 1.246032326234154
Energy: 1.2202175589481339
Energy: 1.2470353944457049
Energy: 1.2324702562506988
Energy: 1.3139134100714265
Energy: 1.2505157695398101
Energy: 1.2483718380154518
Energy: 1.2540348946682367
Energy: 1.2321844685500183
Energy: 1.2481273283374947
Energy: 1.3142824036866838
Energy: 1.252204390184928
Energy: 1.2491511380540052
Energy: 1.2253993896023467
Energy: 1.257001582612419
Energy: 1.2485879411135807
Energy: 1.339023992560287
Energy: 1.2480276150594962
Energy: 1.2382196731239186
Energy: 1.226514825110139
Energy: 1.2480305343634202
Energy: 1.236961569216886
Energy: 1.3564981064152524
Energy: 1.2483032447949998
Energy: 1.2459397845175548
Energy: 1.225397194952389
Energy: 1.250577486931591
Energy: 1.2517374877890624
Energy: 1.3350756826566068
Energy: 1.2266738638603891
Energy: 1.2262873910019003
Energy: 1.2501275639294493
Energy: 1.2264078759735662
Energy: 1.233483028606996
Energy: 1.3377883154283678
Energy: 1.2344044605537252
Energy: 1.2019987698572128
Energy: 1.2478687711360978
Energy: 1.227019780729203
Energy: 1.242619526873935
Energy: 1.3556804681212926
Energy: 1.2512560298301314
Energy: 1.2494576364117411
Energy: 1.2401170341439796
Energy: 1.2537801045252346
Energy: 1.2494980456156546
Energy: 1.3777645134151177
Energy: 1.2495192104917046
Energy: 1.2474482236291091
Energy: 1.2325324026712399
Energy: 1.252864223073515
Energy: 1.2474205327083754
Energy: 1.3320968229616803
Energy: 1.2194618544650166
Energy: 1.2264938919212953
Energy: 1.245584802756821
Energy: 1.2403164272704719
Energy: 1.243698246335496

minimum gb energy = 1.2015936506717675 eV
minimum distance =  2.35245275786146 Angstroms
sigma value = 33


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

Energy: 0.013988766301320689
Energy: 1.7689068905914376
Energy: 0.015078633428124238
Energy: 0.015911595976524938
Energy: 1.7749976778907055
Energy: 0.014815988978111509
Energy: 0.5428053007443007
Energy: 0.14357627182193686
Energy: 0.1406204363106095
Energy: 0.15110964654005796
Energy: 0.1464474182668567
Energy: 0.1414056293236241
Energy: 2.1914688135385783
Energy: 1.771958103004066
Energy: 1.7780771551946792
Energy: 1.7775052458519953
Energy: 1.77605499465183
Energy: 1.7754033182758422
Energy: 0.015046224061503863
Energy: 0.14357627182237112
Energy: 0.14062043631017523
Energy: 0.15110964653962367
Energy: 0.1464474182668567
Energy: 0.14140562932234546

minimum gb energy = 0.013988766301320689 eV
minimum distance =  2.54174583080879 Angstroms
sigma value = 1