Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Fe__MO_147603128437_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.606302589178085
cohesive_energy=4.204648203132152
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.00433899090034e-19, 2.77347990581838e-19, 3.36074172924474e-19, 3.8402251305019195e-19, 4.2450951659137193e-19, 4.593392344378979e-19, 4.896668359428839e-19, 5.16259763714016e-19, 5.397012100460699e-19, 5.603997299807159e-19, 5.786821675512899e-19, 5.9482409713884e-19, 6.09025790822616e-19, 6.214618858557239e-19, 6.3230701949127e-19, 6.416749462702679e-19, 6.496633989673919e-19, 6.563653038274139e-19, 6.618639740353019e-19, 6.66231507539586e-19, 6.69531991405626e-19, 6.7182470616887995e-19, 6.73165728011538e-19, 6.736063265858879e-19, 6.731304801255899e-19, 6.71593992733584e-19, 6.687997966838879e-19, 6.645235872477421e-19, 6.58483381337562e-19, 6.503443240368419e-19, 6.39715484246886e-19, 6.261081980943239e-19, 6.089136384582359e-19, 5.873996106168839e-19, 5.60651271712254e-19, 5.275230654510359e-19, 4.8660507639531e-19, 4.3603076876646605e-19, 3.73454555972328e-19, 2.95813076288688e-19, 1.9907685548103598e-19, 7.785216591101099e-20, -7.517060287868519e-20, -2.7011416307932797e-19, -5.21218500396246e-19, -8.4910875507424795e-19, -1.2843448442302499e-18, -1.8740660087897998e-18, -2.6934992482490997e-18, -3.86863172222274e-18, -5.62391235536778e-18, -8.391223881145259e-18]
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: 0.016293823349161074
Energy: 0.18264655440703265
Energy: 1.5226802803845982
Energy: 0.016846515395438758
Energy: 0.18264655440640243
Energy: 1.7168688488479833
Energy: 0.016846515394808515
Energy: 1.7168688488467228
Energy: 1.5226802803796615
Energy: 0.01684651539417827
Energy: 0.016293823349161074
Energy: 0.18264655440948363
Energy: 0.016846515394808515
Energy: 1.7168688488467228
Energy: 0.18264655440703265
Energy: 1.7168688488492085

minimum gb energy = 0.016293823349161074 eV
minimum distance =  2.4729032364133 Angstroms
sigma value = 1


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

Energy: 2.7108198690715595
Energy: 1.6068985632059904
Energy: 1.6071544752775704
Energy: 1.520296660472019
Energy: 1.5994417392381193
Energy: 1.6690387422681219
Energy: 1.5987365284724273
Energy: 1.6690387422695812
Energy: 1.6009672537980826
Energy: 1.600007579524195
Energy: 1.6063057637564648
Energy: 1.6000075795234308
Energy: 1.5962078977837986
Energy: 1.6149725794617704
Energy: 1.5986256153118177
Energy: 1.614972579458713
Energy: 1.683777152312898
Energy: 1.6146579475494378
Energy: 1.5995745883041668
Energy: 1.614657947550202
Energy: 1.5952871384417757
Energy: 1.8026193613054797
Energy: 1.6054051065658983
Energy: 1.802619361303187
Energy: 1.5954659489862733
Energy: 1.7857196814435023
Energy: 1.6842940151462586
Energy: 1.7857196814442668
Energy: 1.6881476383358842
Energy: 1.8700196137875271
Energy: 1.606332328021844
Energy: 1.870019613789056
Energy: 1.5988609287514772
Energy: 1.868646889166122
Energy: 1.5977027902985523
Energy: 1.8686468891676504
Energy: 1.6880084074397899
Energy: 1.8722739551388388
Energy: 1.689159725411932
Energy: 1.8722739551426608
Energy: 1.677953712474061
Energy: 1.8679675784238636
Energy: 1.5988770622805444
Energy: 1.8679675784269212
Energy: 1.6870768300728523
Energy: 1.8657906112327225
Energy: 1.6069419567621568
Energy: 1.8657906112296652
Energy: 1.5951774005894885
Energy: 1.800616441607293
Energy: 1.683273479288702
Energy: 1.800616441605
Energy: 1.5950786527947243
Energy: 1.7894108658062557
Energy: 1.680205175396381
Energy: 1.7894108658077845
Energy: 1.684189309907785
Energy: 1.615014944655996
Energy: 1.5991885168111852
Energy: 1.6150149446521744
Energy: 1.5135038727717929
Energy: 1.6209926799662604
Energy: 1.5985915981506151
Energy: 1.620992679965496
Energy: 1.5998873545864867
Energy: 1.598270787901485
Energy: 1.5129374048558644
Energy: 1.598270787901485
Energy: 1.5987213679181624
Energy: 1.6018033740877764
Energy: 1.682115647566867
Energy: 1.6018033740900695
Energy: 1.6056427574559688
Energy: 1.6044705146145641
Energy: 1.6048205502136528
Energy: 1.6044705146145641
Energy: 1.599306025028483
Energy: 1.6020653005399612
Energy: 1.5959623746801217
Energy: 1.6020653005384327
Energy: 1.600552149500723
Energy: 1.5990189550448877
Energy: 1.6839766943679455
Energy: 1.5990189550441232
Energy: 1.598352111376107
Energy: 1.603033057503057
Energy: 1.59894960677496
Energy: 1.6030330575068787
Energy: 1.6840871456585558
Energy: 1.7878433039415085
Energy: 1.5950725421615493
Energy: 1.7878433039415085
Energy: 1.606237761080716
Energy: 1.7816965615040883
Energy: 1.596307662213683
Energy: 1.7816965615048523
Energy: 1.5976584572418047
Energy: 1.8689409839211073
Energy: 1.5987503493558213
Energy: 1.8689409839149926
Energy: 1.6901223530972833
Energy: 1.8657044332711397
Energy: 1.6901998085110141
Energy: 1.8657044332688466
Energy: 1.5985327136614458
Energy: 1.8677289070520393
Energy: 1.677102136227815
Energy: 1.8677289070520393
Energy: 1.607492929643989
Energy: 1.866310443995671
Energy: 1.6831646793672264
Energy: 1.866310443991085
Energy: 1.6839892824351506
Energy: 1.799813323609334
Energy: 1.5948241096176083
Energy: 1.7998133236100984
Energy: 1.6853871359020625
Energy: 1.7854383652619434
Energy: 1.5951870658528542
Energy: 1.7854383652588859
Energy: 1.6134047846481654
Energy: 1.6029590808677683
Energy: 1.6848422039618443
Energy: 1.6029590808662393
Energy: 1.5984283613067916
Energy: 1.6034313620166571
Energy: 1.5134403815410467
Energy: 1.603431362020479
Energy: 1.512653505995242
Energy: 1.598091312958142
Energy: 1.5980952344808392
Energy: 1.5980913129589063

minimum gb energy = 1.512653505995242 eV
minimum distance =  2.29116111633926 Angstroms
sigma value = 1


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

Energy: 1.9171747882118746
Energy: 1.7212259062309472
Energy: 1.723896963910216
Energy: 1.6235115541319016
Energy: 1.7197756154424984
Energy: 1.7844060545822702
Energy: 1.719737798048428
Energy: 1.7844060545840132
Energy: 1.7144818723855981
Energy: 1.7138169503104792
Energy: 1.7216503937406178
Energy: 1.7138169503122223
Energy: 1.7123928624816236
Energy: 1.7131982243926152
Energy: 1.7198451265020085
Energy: 1.7131982243934867
Energy: 1.7207138132541717
Energy: 1.7174767728420501
Energy: 1.715113569069584
Energy: 1.7174767728368212
Energy: 1.7118269537321493
Energy: 1.9475502443862363
Energy: 1.7204173889378225
Energy: 1.9475502443853647
Energy: 1.7104726212946726
Energy: 1.9317543018084324
Energy: 1.7206783170117237
Energy: 1.931754301809304
Energy: 1.711479338628777
Energy: 1.923613868690973
Energy: 1.720042890350492
Energy: 1.9236138686935877
Energy: 1.724771457994041
Energy: 2.0005396572013097
Energy: 1.6199376057485786
Energy: 2.0005396572013097
Energy: 1.7216917682036263
Energy: 1.9991617158739905
Energy: 1.8114418896774978
Energy: 1.9991617158792196
Energy: 1.805813089406587
Energy: 1.9459226888080696
Energy: 1.710341484647858
Energy: 1.9459226888106842
Energy: 1.8062721974005125
Energy: 1.9269135481633612
Energy: 1.7115197024848532
Energy: 1.92691354816249
Energy: 1.7157966407626473
Energy: 1.7367591605140928
Energy: 1.806083013945497
Energy: 1.736759160515836
Energy: 1.7148247608258536
Energy: 1.7116779008041625
Energy: 1.6152874441410787
Energy: 1.7116779008032912
Energy: 1.61520633471916
Energy: 1.712158243491901
Energy: 1.7146169449951982
Energy: 1.712158243493644
Energy: 1.8069072620518034
Energy: 1.7163333768035183
Energy: 1.71928003601821
Energy: 1.7163333768026467
Energy: 1.720397820772848
Energy: 1.7122818546788656
Energy: 1.7216510203120414
Energy: 1.7122818546797374
Energy: 1.714067517966306
Energy: 1.7169638671884964
Energy: 1.7206716833190707
Energy: 1.7169638671876246
Energy: 1.7198335453413645
Energy: 1.7128392472861886
Energy: 1.71614048615855
Energy: 1.712839247274859
Energy: 1.7113001014555282
Energy: 1.712827740054574
Energy: 1.715225051371831
Energy: 1.7128277400493448
Energy: 1.7097471024028776
Energy: 1.9279315527289922
Energy: 1.7195239411155716
Energy: 1.9279315527289922
Energy: 1.711018522637791
Energy: 1.9272992059023395
Energy: 1.7197796552858096
Energy: 1.9272992059023395
Energy: 1.7213462554714054
Energy: 2.000576753946084
Energy: 1.617532253015129
Energy: 2.000576753943469
Energy: 1.7209224660155855
Energy: 1.9989202623080047
Energy: 1.7165727722428006
Energy: 1.9989202623080047
Energy: 1.8041887115588113
Energy: 1.9456052450575787
Energy: 1.7100195159514449
Energy: 1.9456052450645507
Energy: 1.8067099738657004
Energy: 1.9261676556837009
Energy: 1.7097356927911276
Energy: 1.926167655681958
Energy: 1.7339199706877666
Energy: 1.7178084004314043
Energy: 1.8062038113587728
Energy: 1.7178084004383765
Energy: 1.7160570139519955
Energy: 1.716642311359811
Energy: 1.6150940837728889
Energy: 1.716642311358068
Energy: 1.6148700952795634
Energy: 1.7118995606771146
Energy: 1.7121698831824186
Energy: 1.7118995606745002

minimum gb energy = 1.6148700952795634 eV
minimum distance =  2.29121409822422 Angstroms
sigma value = 25


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

Energy: 2.0422024631881506
Energy: 1.8562886702154193
Energy: 1.85734103332949
Energy: 1.7442853383589896
Energy: 1.855026234318606
Energy: 1.9160570039715146
Energy: 1.8552420841687318
Energy: 1.9160570039694882
Energy: 1.845754576851244
Energy: 1.8462589734438086
Energy: 1.7612801006577332
Energy: 1.8462589734438086
Energy: 1.8445323280531456
Energy: 1.8529476549423631
Energy: 1.7606864524486059
Energy: 1.8529476549443893
Energy: 1.759642706995672
Energy: 1.8797745887620791
Energy: 1.8506194833157965
Energy: 1.879774588764105
Energy: 1.7364510839218616
Energy: 2.1166009322323043
Energy: 1.7631999181487439
Energy: 2.1166009322323043
Energy: 1.84355321579339
Energy: 2.093357713648566
Energy: 1.8420570057489403
Energy: 2.09335771364654
Energy: 1.8432859071318028
Energy: 2.0858442466312237
Energy: 1.7611809493383552
Energy: 2.0858442466322367
Energy: 1.8434423308415924
Energy: 2.0887631885379525
Energy: 1.7360374923498147
Energy: 2.088763188539979
Energy: 1.7362051552741484
Energy: 2.088905025947674
Energy: 1.7621915340874148
Energy: 2.0889050259395696
Energy: 1.7317617608961249
Energy: 1.8524688562614091
Energy: 1.8525548587193228
Energy: 1.8524688562614091
Energy: 1.7317374088496826
Energy: 1.8518166822494866
Energy: 1.7617435495819478
Energy: 1.8518166822596174
Energy: 1.843728253497341
Energy: 1.8439363840774912
Energy: 1.7320382035966497
Energy: 1.8439363840764782
Energy: 1.8549065216341385
Energy: 1.7370015690643492
Energy: 1.847250322062091
Energy: 1.737001569063336
Energy: 1.7611124160420821
Energy: 1.844535093728453
Energy: 1.8554699063222195
Energy: 1.8445350937274398
Energy: 1.8452508776889538
Energy: 1.7373841983128417
Energy: 1.8446828797856192
Energy: 1.7373841983148681
Energy: 1.8516798836047277
Energy: 1.8420986397181018
Energy: 1.7616236900016415
Energy: 1.842098639719115
Energy: 1.8527347149384878
Energy: 1.843289389562533
Energy: 1.736095654879982
Energy: 1.8432893895635463
Energy: 1.841484658240677
Energy: 2.095686688451466
Energy: 1.8426980308379322
Energy: 2.095686688452479
Energy: 1.7625967026673561
Energy: 2.096522384705349
Energy: 1.8422734192134431
Energy: 2.096522384703323
Energy: 1.7314271455497992
Energy: 2.119235874496299
Energy: 1.8434690273952572
Energy: 2.119235874499339
Energy: 1.7315726761879868
Energy: 2.1190049461249356
Energy: 1.7356826445965345
Energy: 2.1190049461218963
Energy: 1.8521620721346117
Energy: 1.8803263759703348
Energy: 1.7315509462110303
Energy: 1.8803263759703348
Energy: 1.7611192027694198
Energy: 1.8511284352074353
Energy: 1.7316427738104545
Energy: 1.8511284352074353
Energy: 1.7318341729970708
Energy: 1.8435541585867712
Energy: 1.8445858973501517
Energy: 1.8435541585857582

minimum gb energy = 1.7314271455497992 eV
minimum distance =  2.29346823178361 Angstroms
sigma value = 9


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

Energy: 2.9412167323265854
Energy: 2.018821937108767
Energy: 2.038501806384568
Energy: 1.9485749191065267
Energy: 2.0359120783341695
Energy: 2.0845800805537045
Energy: 2.0365905753977884
Energy: 2.0845800805524966
Energy: 2.018611957463368
Energy: 2.0199613431427936
Energy: 2.0836855266192953
Energy: 2.019961343140404
Energy: 2.018017458715214
Energy: 2.0844926064268225
Energy: 1.9315024694458391
Energy: 2.084492606421988
Energy: 1.950533655614011
Energy: 2.0640298368190773
Energy: 1.9969486286778515
Energy: 2.0640298368214944
Energy: 2.0128713386264248
Energy: 1.997003370939959
Energy: 1.9302579377345677
Energy: 1.9970033709411679
Energy: 2.0798667639635817
Energy: 2.292413181167719
Energy: 1.9313491813366952
Energy: 2.2924131811653017
Energy: 2.1207048258137258
Energy: 2.256779945246592
Energy: 1.9309616713549085
Energy: 2.256779945242967
Energy: 2.1266652669898387
Energy: 2.1225414530581026
Energy: 1.9296203719644283
Energy: 2.1225414530568942
Energy: 2.1205092043130294
Energy: 2.133955788108593
Energy: 1.9296908605866077
Energy: 2.133955788107384
Energy: 1.8604978538351415
Energy: 1.8620207364065469
Energy: 1.890390180347001
Energy: 1.8620207364041297
Energy: 2.1142207266801973
Energy: 1.8620363066787262
Energy: 1.8911113257785541
Energy: 1.8620363066787262
Energy: 2.1210028800174268
Energy: 2.1277721868621677
Energy: 2.083751418336935
Energy: 2.1277721868621677
Energy: 2.1259824251899846
Energy: 2.134427421846761
Energy: 2.0596838840504716
Energy: 2.134427421845553
Energy: 1.9505173307165102
Energy: 2.06513135585419
Energy: 1.892428372166065
Energy: 2.0651313558553985
Energy: 2.0315060846331705
Energy: 2.0646066575892923
Energy: 1.892207377708662
Energy: 2.0646066575868756
Energy: 2.0790085127572016
Energy: 2.3480406059738277
Energy: 1.8918848443411291
Energy: 2.348040605975036
Energy: 2.0796029316112388
Energy: 2.3483663112248956
Energy: 1.8917586564681648
Energy: 2.3483663112248956
Energy: 2.0331469679764984
Energy: 2.0728255206026365
Energy: 1.9296298398454979
Energy: 2.072825520599011
Energy: 2.03092483817562
Energy: 2.031898302312123
Energy: 1.9297646643477562
Energy: 2.031898302308497
Energy: 1.931537132678367
Energy: 2.0186155243357846
Energy: 2.0196658190084795
Energy: 2.0186155243357846

minimum gb energy = 1.8604978538351415 eV
minimum distance =  2.29066894631351 Angstroms
sigma value = 25


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

Energy: 2.4673748106148468
Energy: 2.1706066486764035
Energy: 2.200202515672376
Energy: 2.0262579024688923
Energy: 2.1905511991715625
Energy: 2.155435378524906
Energy: 2.190706852986471
Energy: 2.155435378524906
Energy: 2.171172566118378
Energy: 2.170927513683809
Energy: 2.1897322308566523
Energy: 2.1709275136823147
Energy: 2.1691876427090486
Energy: 2.1565786504336297
Energy: 2.0586772948868357
Energy: 2.1565786504336297
Energy: 2.050868681724974
Energy: 2.0619182999013983
Energy: 2.05871696298605
Energy: 2.0619182999043875
Energy: 2.0124730883397257
Energy: 2.3059644912385973
Energy: 2.055753221607284
Energy: 2.3059644912371025
Energy: 2.0046638361884876
Energy: 2.0599578572179014
Energy: 2.058969630286151
Energy: 2.0599578574195707
Energy: 2.0045830207644846
Energy: 2.1583444419437265
Energy: 2.058605812424054
Energy: 2.158344441942232
Energy: 2.169555431753663
Energy: 2.1695474245472157
Energy: 2.3209175266386954
Energy: 2.1695474245472157
Energy: 2.1911720952389446
Energy: 2.0141201981126686
Energy: 2.315592287611927
Energy: 2.0141201981141634
Energy: 2.1894220571360705
Energy: 2.1701416847699324
Energy: 2.19037561123039
Energy: 2.170141684768438
Energy: 2.167801861242274
Energy: 2.0142254262719312
Energy: 2.1706891939101016
Energy: 2.014225426273426
Energy: 2.0565567098417628
Energy: 2.3070584073692664
Energy: 2.0509309774113564
Energy: 2.3070584073692664
Energy: 2.058385330366536
Energy: 2.0606898571064742
Energy: 2.014888310786936
Energy: 2.0606898570930223
Energy: 2.058242360827682
Energy: 2.281745200040362
Energy: 2.0050395826212237
Energy: 2.2817452000373732
Energy: 2.0574711147159666
Energy: 2.281261379777696
Energy: 2.005186182790502
Energy: 2.28126137978218
Energy: 2.317987101187824
Energy: 2.1689001659824436
Energy: 2.167711627209427
Energy: 2.168900165980949

minimum gb energy = 2.0045830207644846 eV
minimum distance =  2.28827583410642 Angstroms
sigma value = 17


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

Energy: 3.256386716104301
Energy: 2.3803705601349883
Energy: 2.382732924713057
Energy: 2.2463340882842564
Energy: 2.0999400564708175
Energy: 2.1000805631957724
Energy: 2.266984648874975
Energy: 2.1000805631983117
Energy: 2.148504784649718
Energy: 2.1480268974273273
Energy: 2.36209060902097
Energy: 2.148026897426481
Energy: 2.1484825604549718
Energy: 2.320957301721331
Energy: 2.1450683098442282
Energy: 2.320957301720484
Energy: 2.148587318097405
Energy: 2.2628547925306823
Energy: 2.065512383251496
Energy: 2.262854792531529
Energy: 2.146303785550768
Energy: 2.1839397733611197
Energy: 2.1482523078280753
Energy: 2.1839397733611197
Energy: 2.2232827648055737
Energy: 2.1455611106262484
Energy: 2.1470882482704594
Energy: 2.1455611106262484
Energy: 2.4485485043850845
Energy: 2.14478837402299
Energy: 2.1034329360612665
Energy: 2.144788374023836
Energy: 2.3655650976907765
Energy: 2.339753651340495
Energy: 2.3426060046910555
Energy: 2.339753651339649
Energy: 2.3399128373335114
Energy: 2.339673306227453
Energy: 2.263491234688019
Energy: 2.3396733062240678
Energy: 2.1444591360987713
Energy: 2.0699836213953704
Energy: 2.096012746372624
Energy: 2.0699836213970633
Energy: 2.3405937598608872
Energy: 2.1006363378033885
Energy: 2.1003394122868304
Energy: 2.100636337805928
Energy: 2.223320125647099
Energy: 2.1000922112108973
Energy: 2.1016042845171623
Energy: 2.100092211210051
Energy: 2.2241998977120425
Energy: 2.1011693220324292
Energy: 2.098268058746512
Energy: 2.1011693220307364
Energy: 2.3391909779581788
Energy: 2.3382512284245105
Energy: 2.4521808257303626
Energy: 2.338251228423664
Energy: 2.36131225272
Energy: 2.3386196210671875
Energy: 2.4535146286231044
Energy: 2.3386196210688803
Energy: 2.3413669275038567
Energy: 2.1455006768805993
Energy: 2.149068544013409
Energy: 2.1455006768822926
Energy: 2.3413712680837926
Energy: 2.14533082444237
Energy: 2.144218232085297
Energy: 2.1453308244398306
Energy: 2.1472913770799407
Energy: 2.2629830081873368
Energy: 2.1499388445694843
Energy: 2.2629830081873368
Energy: 2.067021955602919
Energy: 2.1831835636519674
Energy: 2.1498561587172955
Energy: 2.183183563654507
Energy: 2.14669491256225
Energy: 2.1471996112357243
Energy: 2.4486675940897795
Energy: 2.1471996112357243
Energy: 2.1490357957221105
Energy: 2.167695478739642
Energy: 2.2237585839454037
Energy: 2.1676954787429894
Energy: 2.2635178392477457
Energy: 2.3400930559083277
Energy: 2.264601112102622
Energy: 2.340093055904095
Energy: 2.3647075093537033
Energy: 2.3398028664582653
Energy: 2.3398854045247575
Energy: 2.3398028664591113
Energy: 2.099960027050449
Energy: 2.0998570622677994
Energy: 2.340460029616978
Energy: 2.0998570622677994
Energy: 2.1005774811277593
Energy: 2.100420657250506
Energy: 2.145504575376038
Energy: 2.100420657248813
Energy: 2.095267683169435
Energy: 2.1003192439765024
Energy: 2.226525625700153
Energy: 2.1003192439790417
Energy: 2.1033606138166787
Energy: 2.100001834212716
Energy: 2.224927453569825
Energy: 2.100001834211023
Energy: 2.0998711430264287
Energy: 2.0995086687308526
Energy: 2.223399045832332
Energy: 2.0995086687300066
Energy: 2.455623283605832
Energy: 2.340372095404598
Energy: 2.339158994361467
Energy: 2.340372095406291

minimum gb energy = 2.065512383251496 eV
minimum distance =  2.29234635427426 Angstroms
sigma value = 53


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

Energy: 3.001056030747125
Energy: 2.2668250453731655
Energy: 2.269671879040635
Energy: 2.049715510731903
Energy: 2.26303471456068
Energy: 2.1627136226140222
Energy: 2.2650681968809465
Energy: 2.162713622610125
Energy: 2.2649489790223565
Energy: 2.264823582996963
Energy: 2.282057440998383
Energy: 2.264823582996963
Energy: 2.264680814030698
Energy: 2.164685116703999
Energy: 2.26131651996423
Energy: 2.1646851167020498
Energy: 2.293446036930518
Energy: 2.163191395524248
Energy: 2.0346902047078914
Energy: 2.163191395524248
Energy: 2.261716687668731
Energy: 2.167784841426682
Energy: 2.0368892079549874
Energy: 2.167784841426682
Energy: 2.4721414979115366
Energy: 2.2640308871088544
Energy: 2.2650456041421148
Energy: 2.2640308871088544
Energy: 2.471854724062044
Energy: 2.261770995769202
Energy: 2.259079654247243
Energy: 2.2617709957653047
Energy: 2.2689682408552034
Energy: 2.266971806360506
Energy: 2.2866909414943626
Energy: 2.266971806360506
Energy: 2.2612117652778903
Energy: 2.2637010041091585
Energy: 2.2677339891683364
Energy: 2.2637010041052608
Energy: 2.2912672048274865
Energy: 2.1740338062811384
Energy: 2.037113097254331
Energy: 2.1740338062811384
Energy: 2.2680086330758678
Energy: 2.1621426446482266
Energy: 2.0273026860150516
Energy: 2.1621426446482266
Energy: 2.471821757979713
Energy: 2.2619890120529735
Energy: 2.2605247757949516
Energy: 2.2619890120490758

minimum gb energy = 2.0273026860150516 eV
minimum distance =  2.28372399071806 Angstroms
sigma value = 9


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

Energy: 2.8776336340227058
Energy: 2.4112964858357535
Energy: 2.5096833262012397
Energy: 2.3031845116469762
Energy: 2.143662476154175
Energy: 2.1409422067585795
Energy: 2.4347920970522385
Energy: 2.1409422067600223
Energy: 2.1356755533680554
Energy: 2.138075818145324
Energy: 2.4087085806738986
Energy: 2.138075818145324
Energy: 2.140320678954476
Energy: 2.1433670217259504
Energy: 2.5414039227098137
Energy: 2.143367021725229
Energy: 2.142604843235096
Energy: 2.140506220751211
Energy: 2.5374048142213774
Energy: 2.140506220751932
Energy: 2.140711209260163
Energy: 2.1411432636419887
Energy: 2.537708135768514
Energy: 2.1411432636419887
Energy: 2.4528491920206608
Energy: 2.4099775125639926
Energy: 2.43677540355413
Energy: 2.4099775125647143
Energy: 2.435532089205125
Energy: 2.4085165334887844
Energy: 2.4105031334273406
Energy: 2.408516533493112
Energy: 2.201792205791728
Energy: 2.3025599211934193
Energy: 2.2358002850153422
Energy: 2.302559921194862
Energy: 2.1561741223783173
Energy: 2.2420839200511526
Energy: 2.413530881344504
Energy: 2.242083920051874
Energy: 2.198810794959943
Energy: 2.1990679961662223
Energy: 2.368180895960743
Energy: 2.1990679961662223
Energy: 2.23362323526667
Energy: 2.2031405940050246
Energy: 2.5386693829328633
Energy: 2.203140594003582
Energy: 2.433958276232322
Energy: 2.199500489659595
Energy: 2.2446513658985126
Energy: 2.1995004896588735
Energy: 2.4533652811217914
Energy: 2.2011192668782225
Energy: 2.2027983769391923
Energy: 2.201119266879665
Energy: 2.4085445793462066
Energy: 2.205282940222067
Energy: 2.205826160274335
Energy: 2.2052829402235092
Energy: 2.278146277228679
Energy: 2.330746941070642
Energy: 2.20758336373902
Energy: 2.330746941073527
Energy: 2.4132638039621335
Energy: 2.316849959375785
Energy: 2.205228959233522
Energy: 2.3168499593779486
Energy: 2.4089458204483734
Energy: 2.412636060567921
Energy: 2.541363259764093
Energy: 2.412636060568642
Energy: 2.435854969289777
Energy: 2.2405762037887773
Energy: 2.2226275617275078
Energy: 2.2405762037887773
Energy: 2.4092517681298653
Energy: 2.136919531810051
Energy: 2.135210450074175
Energy: 2.136919531810772
Energy: 2.542653442930223
Energy: 2.1422269424089864
Energy: 2.144191408041449
Energy: 2.142226942410429
Energy: 2.5375216697061704
Energy: 2.1396430446073915
Energy: 2.1406719227407285
Energy: 2.1396430446095556
Energy: 2.5374744504282405
Energy: 2.142177118671639
Energy: 2.1402784976410016
Energy: 2.142177118673802
Energy: 2.4386401623408007
Energy: 2.409334514786569
Energy: 2.4357755917931123
Energy: 2.4093345147894536
Energy: 2.4114401301068105
Energy: 2.408847574162394
Energy: 2.435370304254503
Energy: 2.408847574162394
Energy: 2.2326642444149796
Energy: 2.3272625717990123
Energy: 2.202071594444216
Energy: 2.3272625717954063
Energy: 2.410171157846474
Energy: 2.2393317911166832
Energy: 2.155764291134691
Energy: 2.2393317911166832
Energy: 2.3654850223988975
Energy: 2.19994675021462
Energy: 2.2002980219911126
Energy: 2.1999467502117347
Energy: 2.5382202438884733
Energy: 2.2047808595331584
Energy: 2.2286469602639167
Energy: 2.204780859530273
Energy: 2.2466022579708995
Energy: 2.2000060500695464
Energy: 2.4335974088053
Energy: 2.200006050070268
Energy: 2.205910799865424
Energy: 2.2025176243227094
Energy: 2.4093234944140423
Energy: 2.2025176243255946
Energy: 2.2054318031791857
Energy: 2.207123970769273
Energy: 2.4092403224758425
Energy: 2.2071239707707155
Energy: 2.2290162863340357
Energy: 2.4526491551426144
Energy: 2.277680122053012
Energy: 2.4526491551411724
Energy: 2.2029788931859633
Energy: 2.31990000139916
Energy: 2.2847927307620086
Energy: 2.319900001401324
Energy: 2.5411960236802646
Energy: 2.4114056495695673
Energy: 2.4088476112399793
Energy: 2.4114056495695673

minimum gb energy = 2.135210450074175 eV
minimum distance =  2.26326398374403 Angstroms
sigma value = 73


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

Energy: 3.1697839268895303
Energy: 2.3199591857452075
Energy: 2.322240608133267
Energy: 2.2312703711821995
Energy: 2.1714510504235562
Energy: 2.163144026854887
Energy: 2.3513182412050755
Energy: 2.163144026856031
Energy: 2.1580361563713084
Energy: 2.158788533122625
Energy: 2.3884923286909303
Energy: 2.1587885331203363
Energy: 2.161326615270849
Energy: 2.162094058427248
Energy: 2.51019242847825
Energy: 2.162094058427248
Energy: 2.1668603482021904
Energy: 2.166856380938709
Energy: 2.4610854125109043
Energy: 2.166856380939854
Energy: 2.253658797722742
Energy: 2.1681431518109093
Energy: 2.461373528177644
Energy: 2.168143151809765
Energy: 2.4946598962329927
Energy: 2.3959990509462616
Energy: 2.4262357942317156
Energy: 2.3959990509462616
Energy: 2.2995682381433387
Energy: 2.3921179023713193
Energy: 2.3922381866966105
Energy: 2.392117902369031
Energy: 2.2473404122896454
Energy: 2.3929947737950448
Energy: 2.393963918388795
Energy: 2.3929947737996224
Energy: 2.1977171598062037
Energy: 2.117402067342612
Energy: 2.397389462282849
Energy: 2.117402067343756
Energy: 2.2774854679029537
Energy: 2.112563351498944
Energy: 2.395659960867366
Energy: 2.112563351498944
Energy: 2.2481294047871523
Energy: 2.121502894231417
Energy: 2.4957685421679803
Energy: 2.121502894231417
Energy: 2.3889428090981775
Energy: 2.26164798864938
Energy: 2.2333869059799762
Energy: 2.26164798864938
Energy: 2.3892766769443594
Energy: 2.2225564990853477
Energy: 2.218996880641173
Energy: 2.2225564990842033
Energy: 2.4400223621007964
Energy: 2.2208157412540213
Energy: 2.219833518738428
Energy: 2.220815741252877
Energy: 2.4909653037911594
Energy: 2.222339036621161
Energy: 2.220040284910121
Energy: 2.222339036621161
Energy: 2.461291623555492
Energy: 2.23190578308845
Energy: 2.2199075265134023
Energy: 2.2319057830907387
Energy: 2.3659141659739125
Energy: 2.465670372635516
Energy: 2.494880763016696
Energy: 2.4656703726389493
Energy: 2.3324881755923794
Energy: 2.334435039690892
Energy: 2.2989603278181985
Energy: 2.334435039693181
Energy: 2.3320063025673017
Energy: 2.3093449945043876
Energy: 2.321313676318808
Energy: 2.309344994505532
Energy: 2.332141275150544
Energy: 2.3173022792856943
Energy: 2.2009152881090857
Energy: 2.317302279283406
Energy: 2.465532608914446
Energy: 2.3192238764333934
Energy: 2.3203323090917802
Energy: 2.3192238764322495

minimum gb energy = 2.112563351498944 eV
minimum distance =  2.25288574699885 Angstroms
sigma value = 7


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

Energy: 2.4722423653286043
Energy: 2.3055081518891827
Energy: 2.306235525686334
Energy: 2.1735809322832305
Energy: 2.152765433485224
Energy: 2.3028389224837422
Energy: 2.334159652642827
Energy: 2.302838922474069
Energy: 2.149938263258444
Energy: 2.1535147582326286
Energy: 2.3026366576741726
Energy: 2.153514758234247
Energy: 2.156803415715901
Energy: 2.158507172465448
Energy: 2.565074592044098
Energy: 2.1585071724605926
Energy: 2.1481793401684137
Energy: 2.1496857783901397
Energy: 2.4475174404510494
Energy: 2.149685778394186
Energy: 2.1800038954454917
Energy: 2.1505077779282393
Energy: 2.4475054090988224
Energy: 2.1505077779290485
Energy: 2.4322368471429
Energy: 2.151532034682983
Energy: 2.1767655769327434
Energy: 2.1515320346757005
Energy: 2.33272179178705
Energy: 2.149227525865334
Energy: 2.1501039842115532
Energy: 2.1492275258645246
Energy: 2.432589530307427
Energy: 2.1757739556229807
Energy: 2.172071761330999
Energy: 2.1757739556254085
Energy: 2.4486466419754955
Energy: 2.4726948353135056
Energy: 2.148311759499121
Energy: 2.4726948353126965
Energy: 2.340054255353917
Energy: 2.3004549125469342
Energy: 2.320638569321324
Energy: 2.3004549125380334
Energy: 2.304998955387073
Energy: 2.306451206148493
Energy: 2.4341221371323387
Energy: 2.3064512061509204
Energy: 2.303663082246064
Energy: 2.3073412467647842
Energy: 2.306442504972405
Energy: 2.3073412467720664
Energy: 2.3057812199063163
Energy: 2.2738264201612792
Energy: 2.154093916757155
Energy: 2.2738264201612792
Energy: 2.303644396311513
Energy: 2.307832517871262
Energy: 2.1550274136281224
Energy: 2.3078325178825905
Energy: 2.415631664934112
Energy: 2.3062584343617583
Energy: 2.303909552990339
Energy: 2.306258434372277
Energy: 2.317730757275067
Energy: 2.300123390781031
Energy: 2.3343766416025464
Energy: 2.300123390781031
Energy: 2.1511677510973644
Energy: 2.415106414365056
Energy: 2.303816476617615
Energy: 2.4151064143723384
Energy: 2.171497563810678
Energy: 2.175613956217337
Energy: 2.432702109494956
Energy: 2.1756139562205736
Energy: 2.150180870571968
Energy: 2.149091928690939
Energy: 2.416281142777797
Energy: 2.1490919286868935
Energy: 2.1769290273885717
Energy: 2.151510868497685
Energy: 2.447788054977512
Energy: 2.1515108685001123
Energy: 2.4373293017183846
Energy: 2.1500616404409203
Energy: 2.1772977038371786
Energy: 2.1500616404465847
Energy: 2.4375848509787064
Energy: 2.1498497714139684
Energy: 2.148017558954252
Energy: 2.149849771411541
Energy: 2.4348016820340526
Energy: 2.158961021959806
Energy: 2.157656078715718
Energy: 2.158961021956569
Energy: 2.4488329327200336
Energy: 2.153499242370788
Energy: 2.150106174288692
Energy: 2.1534992423691697
Energy: 2.450725084917165
Energy: 2.302513803139545
Energy: 2.1527918062115767
Energy: 2.302513803137118
Energy: 2.3039537125901823
Energy: 2.303109974134524
Energy: 3.2152087181237303
Energy: 2.3031099741385694
Energy: 2.3000884876048913
Energy: 2.303490456898756
Energy: 2.302804716980613
Energy: 2.303490456903611
Energy: 2.308220030342438
Energy: 2.27879242917648
Energy: 2.3070977090102827
Energy: 2.2787924291708164
Energy: 2.300156863233269
Energy: 2.3033033123756304
Energy: 2.154298733528522
Energy: 2.3033033123683477
Energy: 2.4201516377872947
Energy: 2.3014146193830562
Energy: 2.3074198842743963
Energy: 2.301414619379011

minimum gb energy = 2.148017558954252 eV
minimum distance =  2.25637386214619 Angstroms
sigma value = 29


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

Energy: 2.088873583534895
Energy: 2.214492941747939
Energy: 2.1042713855484703
Energy: 2.0894230486659064
Energy: 2.091126461573518
Energy: 2.2185230491030485
Energy: 2.102919819017401
Energy: 2.2185230491038626
Energy: 2.0920053568703754
Energy: 2.2343025054154793
Energy: 2.077402376621444
Energy: 2.2343025054157617
Energy: 2.073958691439368
Energy: 2.091133857614668
Energy: 2.089626465257813
Energy: 2.0911338576141043
Energy: 2.0895037166832364
Energy: 2.092020933023162
Energy: 2.075042319518852
Energy: 2.092020933021784
Energy: 2.0891694527042683
Energy: 2.2244468304336347
Energy: 2.0735175255057525
Energy: 2.2244468304336347
Energy: 2.076438442308334
Energy: 2.2330661715460143
Energy: 2.090627312176484
Energy: 2.2330661715441043
Energy: 2.093418678073842
Energy: 2.093889209930512
Energy: 2.0708334117631355
Energy: 2.093889209930512
Energy: 2.0700217981267137
Energy: 2.09414282745175
Energy: 2.0945563356674324
Energy: 2.0941428274512175

minimum gb energy = 2.0700217981267137 eV
minimum distance =  2.25639405940128 Angstroms
sigma value = 5


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

Energy: 3.0079035420064146
Energy: 1.9719475831275257
Energy: 2.3148429980042167
Energy: 1.9265181297962855
Energy: 2.3423806626242896
Energy: 1.970170601943118
Energy: 2.3491864690896564
Energy: 1.970170601943118
Energy: 2.349415893798103
Energy: 2.1140080585625984
Energy: 2.3568790546109426
Energy: 2.114008058561834
Energy: 2.011486775297342
Energy: 1.9682866037769844
Energy: 2.342807063581851
Energy: 1.9682866037777489
Energy: 2.3425039821972824
Energy: 1.9683737793284786
Energy: 2.3514184841705505
Energy: 1.9683737793284786
Energy: 1.9710250972783159
Energy: 1.9684173933640796
Energy: 2.351456557963945
Energy: 1.968417393367137
Energy: 1.9696667151115124
Energy: 1.9688148579998335
Energy: 2.3447324914168823
Energy: 1.9688148579975404
Energy: 1.9720481801252758
Energy: 1.9701187747516946
Energy: 2.662655937987473
Energy: 1.9701187747486373
Energy: 2.016962686442091
Energy: 2.0269333387713093
Energy: 2.674566681901717
Energy: 2.026933338769781
Energy: 2.3588898982673925
Energy: 1.9236306156775174
Energy: 1.9259602233282602
Energy: 1.9236306156782819
Energy: 2.016474256550967
Energy: 1.923444725792695
Energy: 1.9249161314212138
Energy: 1.923444725794988
Energy: 2.660124745700459
Energy: 1.922707323674695
Energy: 1.92491540822094
Energy: 1.9227073236739305
Energy: 2.6603311080238683
Energy: 1.92373471923233
Energy: 1.926542985457398
Energy: 1.92373471923233
Energy: 2.015462608554248
Energy: 2.0204480024810216
Energy: 2.3529786197233444
Energy: 2.0204480024825506
Energy: 1.9708710215056422
Energy: 1.96886709306225
Energy: 2.351600836266905
Energy: 1.9688670930637786
Energy: 1.9708618450312791
Energy: 1.9693502877139188
Energy: 2.341396672054811
Energy: 1.969350287716212
Energy: 1.9706672262755411
Energy: 1.9688810078303918
Energy: 2.012899140637104
Energy: 1.9688810078319203
Energy: 2.3462844864868035
Energy: 1.9698733114174614
Energy: 2.015164900084487
Energy: 1.9698733114166973
Energy: 2.3590196867286166
Energy: 2.1140454054304083
Energy: 2.3468552815266452
Energy: 2.1140454054319373
Energy: 2.3444947473969657
Energy: 1.9686068993203125
Energy: 2.0100264948702367
Energy: 1.9686068993226051
Energy: 2.351967681503287
Energy: 1.9684202158804063
Energy: 2.344817829875012
Energy: 1.9684202158834638
Energy: 2.352039358082815
Energy: 1.9686264532435216
Energy: 1.9709640437271243
Energy: 1.9686264532427573
Energy: 2.3437383850643116
Energy: 1.9688630703469088
Energy: 1.9699465067073494
Energy: 1.9688630703446157
Energy: 2.662205940516344
Energy: 1.9705063659314608
Energy: 1.9716958285897017
Energy: 1.9705063659322248
Energy: 2.662085105933558
Energy: 2.0212377469646556
Energy: 2.0167609491201306
Energy: 2.021237746967713
Energy: 1.9261602887912526
Energy: 1.923855491668816
Energy: 2.359016311212057
Energy: 1.9238554916672874
Energy: 1.9248385992105095
Energy: 1.9235382940399797
Energy: 2.0172101555910555
Energy: 1.9235382940399797
Energy: 1.9246105166645815
Energy: 1.9229279574468778
Energy: 2.0190536460672948
Energy: 1.9229279574392344
Energy: 1.9253378600620175
Energy: 1.9236575475108817
Energy: 2.6602978831257174
Energy: 1.9236575475108817
Energy: 2.3533319280382927
Energy: 2.020046515505084
Energy: 2.014560009935494
Energy: 2.020046515503555
Energy: 2.35422349620924
Energy: 1.9693293844969992
Energy: 1.9711479190920147
Energy: 1.9693293844977635
Energy: 2.3403633098459484
Energy: 1.9690681978829367
Energy: 1.9710352577652737
Energy: 1.9690681978837012
Energy: 2.0145781669736853
Energy: 1.9685666265064832
Energy: 1.9712379146775687
Energy: 1.9685666265011326

minimum gb energy = 1.9227073236739305 eV
minimum distance =  2.24579842930219 Angstroms
sigma value = 1


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

Energy: 2.6972628404298775
Energy: 1.875823237301474
Energy: 2.2417661871737606
Energy: 1.8353972734592456
Energy: 2.162421161233392
Energy: 1.8770820102758885
Energy: 2.4061022502108695
Energy: 1.8770820102748318
Energy: 2.1737129706222476
Energy: 2.0639095015046087
Energy: 2.4128202050224705
Energy: 2.063909501502495
Energy: 2.1643950698058987
Energy: 2.065309487732583
Energy: 2.393552787531785
Energy: 2.065309487732583
Energy: 2.161620259482923
Energy: 1.891127741023654
Energy: 2.166175028540374
Energy: 1.8911277410257676
Energy: 1.8929909234381401
Energy: 1.8911326707747251
Energy: 2.166239187730024
Energy: 1.891132670777896
Energy: 1.8908206155613392
Energy: 1.8901344798575264
Energy: 2.3953943939609497
Energy: 1.8901344798585833
Energy: 1.8971823791039961
Energy: 1.8955558594448614
Energy: 2.6183130590723143
Energy: 1.895555859442748
Energy: 1.9173424016335858
Energy: 1.9755315290547493
Energy: 2.617451499759132
Energy: 1.975531529055806
Energy: 2.6095898847750285
Energy: 2.20285205174393
Energy: 2.072533800267831
Energy: 2.20285205174393
Energy: 1.9150482591466202
Energy: 1.8051290777219557
Energy: 2.0885558169444467
Energy: 1.8051290777230122
Energy: 2.834365260777991
Energy: 1.8049106409040072
Energy: 2.071388940734662
Energy: 1.8049106409008369
Energy: 2.834458239960762
Energy: 1.8046532967300162
Energy: 2.070981971973807
Energy: 1.8046532967310727
Energy: 1.9110526474376233
Energy: 1.9971882512280734
Energy: 2.5863204841328256
Energy: 1.997188251231244
Energy: 2.1623202704852944
Energy: 1.9938019188983467
Energy: 2.586117574204141
Energy: 1.9938019189015168
Energy: 2.16018755600373
Energy: 1.8970993240808158
Energy: 2.3952172856554688
Energy: 1.8970993240829295
Energy: 1.8930794782009435
Energy: 1.8910614512658686
Energy: 2.171151086244623
Energy: 1.8910614512637547
Energy: 1.8961655390661514
Energy: 1.8957978765659242
Energy: 2.1563125892563137
Energy: 1.8957978765669812
Energy: 1.8902582909982386
Energy: 1.889301667445883
Energy: 2.617314286143968
Energy: 1.8893016674469396
Energy: 1.893990237625872
Energy: 1.8983248478007917
Energy: 2.6183365476885534
Energy: 1.8983248478018486
Energy: 2.6093650817091345
Energy: 1.8766514946725699
Energy: 2.39409643189355
Energy: 1.8766514946725699
Energy: 2.6091076568166147
Energy: 1.8765174660521828
Energy: 1.8783243395164486
Energy: 1.8765174660532393
Energy: 2.1608025706836065
Energy: 1.8734960487408319
Energy: 1.8752543656561749
Energy: 1.8734960487418886
Energy: 2.6184088894814277
Energy: 1.8727584155557384
Energy: 1.8740009271168574
Energy: 1.8727584155546815

minimum gb energy = 1.8046532967300162 eV
minimum distance =  2.23510078485211 Angstroms
sigma value = 17


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

Energy: 2.0190550316839793
Energy: 1.8216243017851568
Energy: 2.208060401590856
Energy: 1.7807841996289198
Energy: 1.8185840251153498
Energy: 1.821014094321073
Energy: 2.1578955256848733
Energy: 1.821014094317807
Energy: 2.4482099430552453
Energy: 1.814861714534254
Energy: 2.1586307842666703
Energy: 1.814861714527069
Energy: 2.4371826207201543
Energy: 1.906178479273369
Energy: 2.145881995776311
Energy: 1.9061784792746754
Energy: 2.112190709206478
Energy: 1.7812418779904917
Energy: 2.232714585149762
Energy: 1.781241877991798
Energy: 1.7813950072555735
Energy: 1.7810751143405639
Energy: 2.2281308097189827
Energy: 1.7810751143405639
Energy: 1.7808160940829685
Energy: 1.7802847497095564
Energy: 1.8515923043942601
Energy: 1.7802847497121692
Energy: 1.7828426507857376
Energy: 1.781500796958143
Energy: 2.0133371107728757
Energy: 1.781500796958796
Energy: 2.446554653553776
Energy: 1.7807781092828154
Energy: 2.1530893485217324
Energy: 1.780778109284775
Energy: 2.161258409404148
Energy: 1.9040476830247934
Energy: 2.1502655058928246
Energy: 1.9040476830261
Energy: 2.442450792238077
Energy: 1.8143039351432335
Energy: 1.8455209407820214
Energy: 1.8143039351406207
Energy: 2.2220683349952557
Energy: 1.8152721872912128
Energy: 2.14780723962812
Energy: 1.8152721872938256
Energy: 2.2378747224184963
Energy: 1.813823409633764
Energy: 1.8148839661448646
Energy: 1.81382340963703
Energy: 1.8181923652800822
Energy: 1.8149913243141136
Energy: 1.817005954339209
Energy: 1.8149913243160734
Energy: 2.455808331346644
Energy: 1.819878898192961
Energy: 1.822554706295783
Energy: 1.8198788981975336
Energy: 2.0009013834236966
Energy: 1.8164035073992946
Energy: 1.8187007305521112
Energy: 1.8164035073992946
Energy: 1.8174033221777146
Energy: 1.8171785659496205
Energy: 2.2249167708708795
Energy: 1.8171785659515802
Energy: 1.8149559840298053
Energy: 1.8137537928001173
Energy: 2.4488279502518386
Energy: 1.8137537927975045
Energy: 1.8197669778462102
Energy: 1.8189054017829704
Energy: 2.1511035800577716
Energy: 1.8189054017823172
Energy: 1.8177111707210278
Energy: 1.8150954089121487
Energy: 2.014110702646708
Energy: 1.8150954089082294
Energy: 2.1601122579909826
Energy: 1.8178686531296822
Energy: 2.116150313920092
Energy: 1.8178686531290291
Energy: 2.15685746534651
Energy: 2.2137461890286523
Energy: 2.4487465480516373
Energy: 2.2137461890273458
Energy: 2.1464599460226492
Energy: 1.9048008760372812
Energy: 2.458402411294657
Energy: 1.9048008760353212
Energy: 2.239722847669113
Energy: 1.7811948832529014
Energy: 2.112319689368788
Energy: 1.7811948832561675
Energy: 2.221770855822605
Energy: 1.7809170932410203
Energy: 1.7812070012671226
Energy: 1.7809170932423266
Energy: 2.14827851345278
Energy: 1.780377608901195
Energy: 1.7809045969016684
Energy: 1.7803776088998886
Energy: 1.996237719104225
Energy: 1.7817513058040113
Energy: 1.7830430356742704
Energy: 1.7817513058000922
Energy: 1.856303932456745
Energy: 1.7805190733257206
Energy: 2.448353370927327
Energy: 1.780519073323761
Energy: 2.1553318684524307
Energy: 1.9068695920806062
Energy: 2.1586801782267355
Energy: 1.906869592079953
Energy: 1.846887826562278
Energy: 1.8147010505277301
Energy: 2.440052223789803
Energy: 1.814701050532956
Energy: 2.145657919777186
Energy: 1.814373005628553
Energy: 2.2285508993106338
Energy: 1.8143730056272465
Energy: 1.8148414888759072
Energy: 1.8143339609514837
Energy: 2.2312763458344
Energy: 1.8143339609514837
Energy: 1.8148571249947276
Energy: 1.8136924598900492
Energy: 2.1450916112710003
Energy: 1.8136924598939685
Energy: 1.822371428133363
Energy: 1.8222107491429038
Energy: 2.4620632087798984
Energy: 1.8222107491383315
Energy: 2.1519211027091707
Energy: 1.8662049190925756
Energy: 1.7839729729705367
Energy: 1.8662049190958416
Energy: 2.2244790975760114
Energy: 1.8155238684002493
Energy: 1.8185854783404654
Energy: 1.815523868399596
Energy: 2.4445022236194065
Energy: 1.8132977814231706
Energy: 1.8137521001455263
Energy: 1.8132977814199047
Energy: 2.4475395859631344
Energy: 1.8161147432499194
Energy: 1.8178384495715967
Energy: 1.8161147432473064

minimum gb energy = 1.7802847497095564 eV
minimum distance =  2.24433311675658 Angstroms
sigma value = 89


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

Energy: 3.886140527296313
Energy: 1.6539710798317901
Energy: 1.6589377514253174
Energy: 1.6455355427083036
Energy: 1.657190809956214
Energy: 1.801382581674597
Energy: 1.662087509111605
Energy: 1.8013825816763063
Energy: 1.6508871016978883
Energy: 1.8001697300495618
Energy: 1.6580404688041468
Energy: 1.8001697300495618
Energy: 1.646069759454501
Energy: 1.795320000853792
Energy: 1.6520753027899846
Energy: 1.795320000853792
Energy: 1.6508848947510542
Energy: 1.6530069762372972
Energy: 1.6486865411430567
Energy: 1.653006976235588
Energy: 1.6513464261071735
Energy: 1.651751743180465
Energy: 1.6556881497277847
Energy: 1.6517517431787556
Energy: 1.6500674584902626
Energy: 1.6497939095267848
Energy: 1.6538348062232644
Energy: 1.6497939095267848
Energy: 1.6504455591134084
Energy: 1.6511243063953345
Energy: 1.6459823491879433
Energy: 1.6511243063953345
Energy: 1.657484205040585
Energy: 1.6492986245458618
Energy: 1.6594039263082103
Energy: 1.6492986245424435
Energy: 1.6569498881848481
Energy: 1.7943934763933373
Energy: 1.6571570272632548
Energy: 1.794393476391628
Energy: 1.65401628555083
Energy: 1.7928318664510354
Energy: 1.6431301844646466
Energy: 1.7928318664493261
Energy: 1.6475525708468706
Energy: 1.6496426391901855
Energy: 1.6545906227484732
Energy: 1.6496426391901855
Energy: 1.6482222512075448
Energy: 1.6522725628005046
Energy: 1.6509916822590325
Energy: 1.6522725628005046
Energy: 1.6529368708920391
Energy: 1.6487518953717473
Energy: 1.6482977673782062
Energy: 1.6487518953717473
Energy: 1.6561562378168968
Energy: 1.6533552511982699
Energy: 1.651730798514485
Energy: 1.6533552511948517

minimum gb energy = 1.6431301844646466 eV
minimum distance =  2.26640973038844 Angstroms
sigma value = 13


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

Energy: 3.3738384360524765
Energy: 1.5172902029513124
Energy: 1.962628318114645
Energy: 1.4979524435714913
Energy: 1.88438938666589
Energy: 1.5122014802309867
Energy: 1.8896590841092957
Energy: 1.5122014802203065
Energy: 1.523550038995859
Energy: 1.5109343477422168
Energy: 1.8911839776335413
Energy: 1.510934347738635
Energy: 2.25993832954599
Energy: 1.5095977116126784
Energy: 1.8881270684803768
Energy: 1.5095977116205586
Energy: 1.8920399126228544
Energy: 1.5097312459836847
Energy: 1.8919011874409857
Energy: 1.5097312459844008
Energy: 1.8895139629709103
Energy: 1.5145365442959993
Energy: 1.88761754310729
Energy: 1.514536544298865
Energy: 1.8905741233757156
Energy: 1.5112008179287733
Energy: 1.886231225214341
Energy: 1.5112008179316383
Energy: 1.8897353963960888
Energy: 1.5122706809289446
Energy: 1.8866322391267716
Energy: 1.5122706809246462
Energy: 1.5102218475728
Energy: 1.509197224843032
Energy: 1.8930476937653995
Energy: 1.5091972248358683
Energy: 1.5100225337432072
Energy: 1.5096905258136677
Energy: 1.8922125999072965
Energy: 1.509690525816533
Energy: 1.5126922050968383
Energy: 1.5094979672604325
Energy: 1.5236741920186567
Energy: 1.509497967255418
Energy: 1.8876024567463618
Energy: 1.5945474584794377
Energy: 1.8912638867670544
Energy: 1.5945474584694086
Energy: 1.8953544870344239
Energy: 1.591367715031111
Energy: 1.8853033892619468
Energy: 1.5913677150217984
Energy: 1.8884986695801897
Energy: 1.5917615335262678
Energy: 2.2584633226350848
Energy: 1.591761533522686
Energy: 1.888869409215499
Energy: 1.5103020787431651
Energy: 1.8897897740134388
Energy: 1.5103020787445978
Energy: 1.8968594533173315
Energy: 1.515538731962326
Energy: 1.5162717857333077
Energy: 1.5155387319795186
Energy: 1.8846453728436912
Energy: 1.5116398280783951
Energy: 1.514835937376296
Energy: 1.5116398280819767
Energy: 1.533541905765589
Energy: 1.5125535465758666
Energy: 1.5153029283831279
Energy: 1.5125535465801645
Energy: 2.239287944734534
Energy: 1.5095341172940295
Energy: 1.8839500802500386
Energy: 1.509534117292597
Energy: 1.8916755982832858
Energy: 1.5096729958896928
Energy: 1.8939507374326845
Energy: 1.5096729958924935
Energy: 2.4411379127732666
Energy: 1.5098670911635657
Energy: 1.8841668407890266
Energy: 1.5098670911685799
Energy: 1.8903661077257945
Energy: 1.5114113940092955
Energy: 1.8861231057301024
Energy: 1.511411394018608
Energy: 1.8857168693524906
Energy: 1.5097641149110912
Energy: 1.8935698461466546
Energy: 1.5097641149189711
Energy: 1.5224629527564857
Energy: 1.5097165864938695
Energy: 1.8889514412137012
Energy: 1.5097165864910043
Energy: 1.8851842706436375
Energy: 1.5100213072653943
Energy: 1.8897390576779614
Energy: 1.5100213072596635
Energy: 1.5108505255836893
Energy: 1.510123788653226
Energy: 1.8963609851559948
Energy: 1.5101237886417644
Energy: 1.5099105043393946
Energy: 1.5095768569566395
Energy: 1.8891895096724634
Energy: 1.509576856963803
Energy: 1.511704167199785
Energy: 1.5091396115476736
Energy: 1.5334585590674767
Energy: 1.5091396115519715
Energy: 1.8838164127911003
Energy: 1.5109448624342912
Energy: 2.239437130914362
Energy: 1.5109448624285602
Energy: 1.893070584120408
Energy: 1.5916433772891865
Energy: 1.8837648038729022
Energy: 1.591643377297783
Energy: 1.889984006533348
Energy: 1.5930502062875977
Energy: 2.241768047959798
Energy: 1.5930502062847323
Energy: 1.896274160694627
Energy: 1.5134251059338593
Energy: 1.8837413114067307
Energy: 1.5134251059381574
Energy: 1.8891796854095109
Energy: 1.5098367074689492
Energy: 1.5116219531044928
Energy: 1.5098367074696655
Energy: 2.2276066700772006
Energy: 1.510022290388367
Energy: 1.5110157502419301
Energy: 1.5100222903940979
Energy: 2.2397994225176396
Energy: 1.5105158288901914
Energy: 1.5120772997680467
Energy: 1.510515828885242

minimum gb energy = 1.4979524435714913 eV
minimum distance =  2.26547050038118 Angstroms
sigma value = 37


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

Energy: 2.943659008355998
Energy: 1.3592638061146958
Energy: 1.359584932668021
Energy: 1.3606551403092835
Energy: 1.3646940083069996
Energy: 1.355561514932477
Energy: 1.3627122046982285
Energy: 1.355561514933709
Energy: 1.3648308111187606
Energy: 1.3568778008514066
Energy: 1.372159468055478
Energy: 1.356877800852639
Energy: 1.3635096986809565
Energy: 1.513362930028536
Energy: 1.3724511183364965
Energy: 1.513362930028536
Energy: 1.3706714198685797
Energy: 1.5128396694183899
Energy: 1.357333492809413
Energy: 1.5128396694171575
Energy: 1.356768457284768
Energy: 1.3588200437679916
Energy: 1.3646386851358527
Energy: 1.358820043769224
Energy: 1.3617336374721365
Energy: 1.3557785614863824
Energy: 1.3738708661917889
Energy: 1.355778561487615
Energy: 1.3682048696253435
Energy: 1.3599771749811613
Energy: 1.366269313042093
Energy: 1.3599771749811613
Energy: 1.3575880765467927
Energy: 1.3566720759597002
Energy: 1.3579137104574597
Energy: 1.3566720759597002
Energy: 1.3556044689105864
Energy: 1.3557688415374693
Energy: 1.3611262708746559
Energy: 1.3557688415399345
Energy: 1.3595849325731761
Energy: 1.3606551403092835
Energy: 2.943659008355998
Energy: 1.3592638060900464
Energy: 1.3627122046982285
Energy: 1.3555615149349416
Energy: 1.3646940083045347
Energy: 1.3555615149349416
Energy: 1.372159468055478
Energy: 1.356877800850174
Energy: 1.364830811117528
Energy: 1.356877800850174
Energy: 1.3724511183364965
Energy: 1.513362930028536
Energy: 1.3635096986735615
Energy: 1.513362930028536
Energy: 1.3573334927946512
Energy: 1.512839669415925
Energy: 1.3706714198661147
Energy: 1.5128396694183899
Energy: 1.364638685151847
Energy: 1.3588200437679916
Energy: 1.3567684572860008
Energy: 1.3588200437630615
Energy: 1.373870866190556
Energy: 1.3557785614888473
Energy: 1.3617336374709041
Energy: 1.3557785614888473
Energy: 1.3662692161961774
Energy: 1.3599771749811613
Energy: 1.3682048696339708
Energy: 1.3599771749799288
Energy: 1.3579137104525294
Energy: 1.3566720759621649
Energy: 1.3575880765467927
Energy: 1.3566720759683275
Energy: 1.3611262708771208
Energy: 1.3557688415387017
Energy: 1.3556044689105864
Energy: 1.3557688415399345

minimum gb energy = 1.355561514932477 eV
minimum distance =  2.27011580304189 Angstroms
sigma value = 25


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

Energy: 2.9210034674688843
Energy: 1.1839502304184477
Energy: 1.672051415189053
Energy: 1.1768940372152457
Energy: 2.2061824680505566
Energy: 1.1812230133213033
Energy: 1.6952961936578483
Energy: 1.1812230133213033
Energy: 2.2234592485957343
Energy: 1.1826669886563088
Energy: 1.7010812671716278
Energy: 1.1826669886524592
Energy: 2.421936517840563
Energy: 1.1843393047606618
Energy: 2.0040112144044135
Energy: 1.1843393047568123
Energy: 2.2024960002310245
Energy: 1.3130504971270345
Energy: 2.2039881019653262
Energy: 1.313050497123185
Energy: 2.4267173239778295
Energy: 1.3104324517825483
Energy: 2.2045908939963215
Energy: 1.3104324517806234
Energy: 2.432988115082744
Energy: 1.173843613900369
Energy: 2.1935802373425863
Energy: 1.1738436138936321
Energy: 1.6877918820136213
Energy: 1.171222824656541
Energy: 2.427674270531068
Energy: 1.1712228246575036
Energy: 1.6932170401948519
Energy: 1.170899731785631
Energy: 2.189442834547438
Energy: 1.170899731785631
Energy: 1.6875536387207133
Energy: 1.1680954557502858
Energy: 2.1889643134939893
Energy: 1.1680954557512047
Energy: 1.4389365766819693
Energy: 1.1706797255218333
Energy: 3.3326797462446596
Energy: 1.1706797255208712
Energy: 1.4386844351338297
Energy: 1.1687123946144613
Energy: 2.188035708875839
Energy: 1.168712394613499
Energy: 1.4385675630873678
Energy: 1.173899250440202
Energy: 2.189591846029139
Energy: 1.173899250441164
Energy: 1.4413414601568888
Energy: 1.1716715749344027
Energy: 2.188318222600385
Energy: 1.17167157493344
Energy: 1.9514440474404773
Energy: 1.1682533718835064
Energy: 2.1926386319723687
Energy: 1.1682533718854313
Energy: 1.9460949198451187
Energy: 1.1697130823491975
Energy: 2.223419782817284
Energy: 1.1697130823530473
Energy: 2.2029248477189842
Energy: 1.1737522712241504
Energy: 2.222106046442219
Energy: 1.1737522712231878
Energy: 1.9416568689389169
Energy: 1.305238927866179
Energy: 2.18866080882021
Energy: 1.3052389278632917
Energy: 2.2048136707937593
Energy: 1.2959414509980516
Energy: 2.431464350303813
Energy: 1.295941450999014
Energy: 2.206685322853158
Energy: 1.2960542138186855
Energy: 2.4281432797157083
Energy: 1.2960542138186855
Energy: 2.4275306959055
Energy: 1.3007216536761765
Energy: 1.49184563851455
Energy: 1.3007216536781014
Energy: 2.20561545641578
Energy: 1.1810030479001843
Energy: 1.4365587286697425
Energy: 1.1810030479011466
Energy: 2.225714326529726
Energy: 1.1826589049547516
Energy: 1.687104245607956
Energy: 1.1826589049576388
Energy: 2.431394028126732
Energy: 1.1829848515655652
Energy: 1.1850534710993212
Energy: 1.1829848515665276
Energy: 2.2031469620398005
Energy: 1.1817371937532108
Energy: 1.1840109890149435
Energy: 1.1817371937570607
Energy: 2.224535412862485
Energy: 1.1817587233678373
Energy: 1.1831870707287901
Energy: 1.18175872336495

minimum gb energy = 1.1680954557502858 eV
minimum distance =  2.26876898954673 Angstroms
sigma value = 41


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

Energy: 2.7619517786528363
Energy: 1.0412410610983163
Energy: 1.5404073286384687
Energy: 1.0384934680442597
Energy: 2.6964531658362745
Energy: 1.037429437480769
Energy: 1.4685745748083285
Energy: 1.0374294374847142
Energy: 2.706316914818458
Energy: 1.035876057799476
Energy: 1.4718550596238142
Energy: 1.0358760578010537
Energy: 2.6827041605565305
Energy: 1.0389484158838005
Energy: 1.9127049391619435
Energy: 1.0389484158830113
Energy: 2.6924217985120484
Energy: 1.0350072413811169
Energy: 2.3005157311543845
Energy: 1.0350072413819058
Energy: 2.6913832266933686
Energy: 1.0397278025407737
Energy: 2.295649092083354
Energy: 1.0397278025407737
Energy: 2.6971172196328683
Energy: 1.145780501100731
Energy: 2.6920462904104965
Energy: 1.1457805010991529
Energy: 2.3029612996353155
Energy: 1.1418055508447273
Energy: 2.3052002970747534
Energy: 1.1418055508415714
Energy: 1.9014057391485513
Energy: 1.0365368266788286
Energy: 2.698493389311832
Energy: 1.0365368266835628
Energy: 1.8990121795428196
Energy: 1.0353876844614365
Energy: 2.6955566566535274
Energy: 1.0353876844598586
Energy: 1.4739777342806353
Energy: 1.0377010549132695
Energy: 2.6885205489553394
Energy: 1.0377010549093246
Energy: 1.4722520842419402
Energy: 1.0360610026662436
Energy: 2.695789529308041
Energy: 1.0360610026662436
Energy: 1.468046771943366
Energy: 1.0359197694821196
Energy: 2.697211799139331
Energy: 1.0359197694829085
Energy: 1.0417968819166843
Energy: 1.0369205572391793
Energy: 2.6879910234564894
Energy: 1.0369205572368123
Energy: 1.039220939359601
Energy: 1.0378242397350685
Energy: 2.6926466105661038
Energy: 1.0378242397366466
Energy: 1.0394407537684607
Energy: 1.0370089872205621
Energy: 2.6850512081581965
Energy: 1.037008987218195
Energy: 1.4716756320301918
Energy: 1.036737604561517
Energy: 2.683198681013049
Energy: 1.0367376045630954
Energy: 1.4737104428796908
Energy: 1.036779028763407
Energy: 2.6917914380727197
Energy: 1.036779028763407
Energy: 1.4712179861467256
Energy: 1.0369776766308807
Energy: 2.6941054338489776
Energy: 1.0369776766308807
Energy: 2.293838205323907
Energy: 1.0372389845919785
Energy: 2.6910205577814685
Energy: 1.0372389845943455
Energy: 2.293104066948755
Energy: 1.0370931993081107
Energy: 2.691753351573743
Energy: 1.0370931993081107
Energy: 2.2948653082612687
Energy: 1.1411052193695608
Energy: 2.7001419111822607
Energy: 1.141105219368772
Energy: 2.6996577336368297
Energy: 1.1414003359634275
Energy: 2.6878227175259943
Energy: 1.1414003359634275
Energy: 2.3037328878422927
Energy: 1.1422003687247393
Energy: 2.2939726545890924
Energy: 1.1422003687357856
Energy: 2.6923790052429446
Energy: 1.0362854130528698
Energy: 1.909296616696433
Energy: 1.0362854130371613
Energy: 2.69456481715264
Energy: 1.0365858772868806
Energy: 2.292461204347594
Energy: 1.0365858772868806
Energy: 2.688148034755192
Energy: 1.0365016507951568
Energy: 1.4701708089038623
Energy: 1.0365016507927898
Energy: 2.691195630640411
Energy: 1.0378890227838793
Energy: 1.4742077302916117
Energy: 1.037889022782301
Energy: 2.7022049949821354
Energy: 1.036198560033736
Energy: 1.4710607304093926
Energy: 1.036198560033736
Energy: 2.6958745437518905
Energy: 1.0381185002757938
Energy: 1.040101026369095
Energy: 1.0381185002773718
Energy: 2.693529778890114
Energy: 1.0374255254797808
Energy: 1.038719764402372
Energy: 1.0374255254805698
Energy: 2.6828538328194087
Energy: 1.0386989309682289
Energy: 1.041272590159842
Energy: 1.0386989309745407

minimum gb energy = 1.0350072413811169 eV
minimum distance =  2.27931819046713 Angstroms
sigma value = 15


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

Energy: 3.0498499119531592
Energy: 0.9416782443974949
Energy: 1.4543770696968574
Energy: 0.9390032955498543
Energy: 3.035674144291115
Energy: 0.9368625740711521
Energy: 1.3079884117570773
Energy: 0.93686257406781
Energy: 3.046057337001444
Energy: 0.9369216565938258
Energy: 1.3083008846149384
Energy: 0.9369216565964993
Energy: 3.0438983142281786
Energy: 0.9372195953544435
Energy: 2.0309126274432754
Energy: 0.9372195953544435
Energy: 3.0338785435533993
Energy: 0.9348727394878916
Energy: 2.0267574868532807
Energy: 0.9348727394805391
Energy: 3.035069048942381
Energy: 0.9364780777989496
Energy: 2.0197915361374994
Energy: 0.9364780777762238
Energy: 2.3670235052984148
Energy: 0.9367519024643489
Energy: 2.6955449531489224
Energy: 0.9367519024683594
Energy: 2.7001827126284663
Energy: 1.0317924427753136
Energy: 2.0309459729090538
Energy: 1.031792442782666
Energy: 2.3656364649881003
Energy: 1.0264485893032214
Energy: 2.6950368197736756
Energy: 1.0264485893065634
Energy: 2.363182712490671
Energy: 1.0262177466228426
Energy: 3.0360038747664264
Energy: 1.0262177466195008
Energy: 2.028106787512826
Energy: 0.9361420264885005
Energy: 2.7153332778521286
Energy: 0.9361420264905058
Energy: 1.682901111588642
Energy: 0.9346915285399033
Energy: 3.03409278826001
Energy: 0.9346915285385665
Energy: 2.021582770381437
Energy: 0.9352446273382795
Energy: 3.042058581841246
Energy: 0.935244627338948
Energy: 1.312380967828644
Energy: 0.9366952759709414
Energy: 2.7079680065295557
Energy: 0.9366952759756202
Energy: 1.3117512380701917
Energy: 0.9359954293816515
Energy: 3.0335442441571696
Energy: 0.9359954293796463
Energy: 1.314306887905623
Energy: 0.9386587360013808
Energy: 3.043627302936691
Energy: 0.9386587360020492
Energy: 0.9409086460816605
Energy: 0.9363932509322356
Energy: 3.0492943685999223
Energy: 0.9363932509342408
Energy: 0.9376221632531192
Energy: 0.9356095761840788
Energy: 3.034854218750525
Energy: 0.9356095761854156
Energy: 0.9397579876565834
Energy: 0.9377378386745651
Energy: 3.037198914566764
Energy: 0.9377378386772386
Energy: 1.3134821782520596
Energy: 0.936664062270354
Energy: 3.0630135540573984
Energy: 0.9366640622730277
Energy: 1.3128795348547675
Energy: 0.9357896254924648
Energy: 3.035094066594259
Energy: 0.9357896254951384
Energy: 1.311785475582738
Energy: 0.9367829884224513
Energy: 3.0429184853273212
Energy: 0.9367829884284669
Energy: 2.019396563024133
Energy: 0.9360578498258129
Energy: 3.0303082556178937
Energy: 0.9360578498244762
Energy: 2.027502760330874
Energy: 0.9348297911562047
Energy: 3.0373470449311255
Energy: 0.9348297911568729
Energy: 2.0297569688026185
Energy: 0.9413010548833106
Energy: 2.373996186509879
Energy: 0.9413010548839791
Energy: 2.700249235090038
Energy: 1.0259030993738953
Energy: 3.037617778141204
Energy: 1.0259030993752323
Energy: 2.024476131026135
Energy: 1.026587191375252
Energy: 2.696669904269256
Energy: 1.0265871913779259
Energy: 2.702029820817454
Energy: 1.0328381168673417
Energy: 2.377929912211992
Energy: 1.0328381168419423
Energy: 2.7023534386746215
Energy: 0.9366886841693944
Energy: 2.6972605023539917
Energy: 0.9366886841673893
Energy: 2.699114534322858
Energy: 0.9371703012196745
Energy: 2.0218490293677545
Energy: 0.937170301213659
Energy: 3.0342029708315295
Energy: 0.9346138976146475
Energy: 1.6826615373336566
Energy: 0.9346138976139792
Energy: 2.7068891878235775
Energy: 0.9393916257208931
Energy: 2.029004916265145
Energy: 0.9393916257162144
Energy: 3.0430983622838625
Energy: 0.9370445079414925
Energy: 1.3091707450084267
Energy: 0.9370445079354769
Energy: 3.036764867323974
Energy: 0.9364869517884055
Energy: 1.3097127919874938
Energy: 0.9364869517857319
Energy: 3.0267707122972993
Energy: 0.9365137153345344
Energy: 0.9442750088017017
Energy: 0.9365137153345344
Energy: 3.0347306403049124
Energy: 0.9371059405499781
Energy: 0.9385505954945944
Energy: 0.9371059405473043
Energy: 3.043370871353504
Energy: 0.9372082006232595
Energy: 0.9393994474716226
Energy: 0.9372082006219228

minimum gb energy = 0.9346138976139792 eV
minimum distance =  2.27969736466997 Angstroms
sigma value = 85


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

Energy: 3.3007234347541736
Energy: 0.8365691359726943
Energy: 0.8361108199044283
Energy: 0.7168004336935062
Energy: 3.265881762734756
Energy: 0.8331035418827439
Energy: 1.1625721493410845
Energy: 0.8331035418827439
Energy: 3.2600665915351
Energy: 0.8327089438478003
Energy: 1.1631092322286272
Energy: 0.8327089438478003
Energy: 2.675160027383716
Energy: 0.8354667008059663
Energy: 1.792944608724397
Energy: 0.8354667008077055
Energy: 3.263811252335829
Energy: 0.8319015208495846
Energy: 1.797033570728826
Energy: 0.8319015208478454
Energy: 2.6824160068376046
Energy: 0.8341181082052987
Energy: 1.7923800738723252
Energy: 0.8341181082035595
Energy: 2.6782021246138905
Energy: 0.8336592370019764
Energy: 2.3928546057046023
Energy: 0.8336592369828459
Energy: 2.9788314774887956
Energy: 0.8347505827959487
Energy: 1.786688414236474
Energy: 0.8347505827947894
Energy: 2.6815208372479957
Energy: 0.8322474134817957
Energy: 2.3876490773212846
Energy: 0.832247413481216
Energy: 2.6888026408039334
Energy: 0.9935941949465784
Energy: 2.970083946497388
Energy: 0.993594194949477
Energy: 2.3959889483076373
Energy: 0.9928932061459422
Energy: 2.384784037824163
Energy: 0.9928932061442031
Energy: 2.0980271168596905
Energy: 0.8323836919298676
Energy: 2.9701289985113353
Energy: 0.832383691929288
Energy: 2.388527091954969
Energy: 0.8322796088737203
Energy: 2.971920293767195
Energy: 0.8322796088731407
Energy: 1.8009521341348975
Energy: 0.8342491837358629
Energy: 2.3813008568662615
Energy: 0.834249183737602
Energy: 1.4935478665157451
Energy: 0.8322160426569798
Energy: 3.2634994316909838
Energy: 0.8322160426662553
Energy: 1.7950487120536076
Energy: 0.8343352742580231
Energy: 2.973899174706697
Energy: 0.8343352742562842
Energy: 1.1699832679329925
Energy: 0.835255580107043
Energy: 2.966926130974526
Energy: 0.8352555801064633
Energy: 1.1671784010872688
Energy: 0.8331348463104485
Energy: 3.2626952943269294
Energy: 0.8331348463098687
Energy: 1.1660590577662484
Energy: 0.8352659345209325
Energy: 3.253859435229142
Energy: 0.8352659345209325
Energy: 0.8345995681671217
Energy: 0.833832601673411
Energy: 3.2537744748639588
Energy: 0.8338326016722517
Energy: 0.8333268899769023
Energy: 0.8326305391566948
Energy: 3.264356420714933
Energy: 0.832630539154376
Energy: 0.8359880890382484
Energy: 0.8355337897965834
Energy: 3.2532517458741768
Energy: 0.8355337897902065
Energy: 1.1666145864047188
Energy: 0.8343435547833975
Energy: 3.25588681922853
Energy: 0.8343435547839771
Energy: 1.1662486776575092
Energy: 0.8322608161837812
Energy: 3.2646727525861388
Energy: 0.832260816184361
Energy: 1.1673431723406458
Energy: 0.8375305823158695
Energy: 2.6749868206953153
Energy: 0.837530582318768
Energy: 1.7923263369349254
Energy: 0.8335792229687489
Energy: 3.2569197376873427
Energy: 0.8335792229757053
Energy: 1.7952112128352238
Energy: 0.8321793562314352
Energy: 3.259945081857802
Energy: 0.8321793562308556
Energy: 1.7926620163466735
Energy: 0.8344121568998091
Energy: 2.678471473507497
Energy: 0.8344121568969105
Energy: 2.388505855016622
Energy: 0.8320971467927487
Energy: 3.266694417608063
Energy: 0.8320971467915893
Energy: 2.390954115631708
Energy: 0.8324035284117541
Energy: 2.683651780387954
Energy: 0.8324035284123339
Energy: 2.6888034197649326
Energy: 0.9932095354252657
Energy: 2.0935163136980517
Energy: 0.9932095354229469
Energy: 2.384645205320851
Energy: 0.9931046865729597
Energy: 2.6881808803682845
Energy: 0.9931046865735393
Energy: 2.9744443930651365
Energy: 0.8323216072778616
Energy: 2.0913934379538297
Energy: 0.8323216072767021
Energy: 3.2667151162658348
Energy: 0.8318371370967979
Energy: 2.0938076231344116
Energy: 0.8318371370950588
Energy: 2.3806372007550207
Energy: 0.8352459411853396
Energy: 1.7924917060093657
Energy: 0.8352459411870787
Energy: 3.2626262129187853
Energy: 0.8321082107617264
Energy: 1.7957140914105068
Energy: 0.8321082107628858
Energy: 3.257554535057862
Energy: 0.8340812802647204
Energy: 1.7924188397960783
Energy: 0.8340812802653
Energy: 2.9671587602480627
Energy: 0.8362953334740614
Energy: 1.1679249436392616
Energy: 0.836295333474641
Energy: 3.2651512947838133
Energy: 0.831980901356502
Energy: 1.1655399454804007
Energy: 0.8319809013553426
Energy: 3.2535632359220026
Energy: 0.8343408909862781
Energy: 1.166800850641969
Energy: 0.8343408909874376
Energy: 2.963766518984023
Energy: 0.8348216634730248
Energy: 0.8356461809965325
Energy: 0.8348216634736048
Energy: 3.2637911992598796
Energy: 0.8322935902470316
Energy: 0.8328992226349464
Energy: 0.8322935902441331
Energy: 3.253199067509979
Energy: 0.8347034749863077
Energy: 0.8363547724478295
Energy: 0.8347034749874671

minimum gb energy = 0.7168004336935062 eV
minimum distance =  2.27780860479783 Angstroms
sigma value = 113


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

Energy: 0.018434356777934764
Energy: 0.7330517629815423
Energy: 2.9267176825911005
Energy: 0.019525117949693017
Energy: 2.330072131918833
Energy: 0.19007333133465332
Energy: 2.3365303060091955
Energy: 0.19007333133420767
Energy: 0.019395374905783885
Energy: 0.18764556003161
Energy: 2.333491504288822
Energy: 0.1876455600325013
Energy: 0.020962831357816864
Energy: 0.1893284822537324
Energy: 2.3383062671710024
Energy: 0.1893284822537324
Energy: 2.334277036705126
Energy: 0.18820219904210914
Energy: 2.3378940453729444
Energy: 0.18820219904300042
Energy: 0.019357113460512314
Energy: 0.18756271691353485
Energy: 2.332190011323121
Energy: 0.18756271691224743

minimum gb energy = 0.018434356777934764 eV
minimum distance =  2.51381349258506 Angstroms
sigma value = 1