Model name: model_name=EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.9211406409740452
cohesive_energy=5.199020453881133
mass=106.42
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=[3.8173941134674194e-19, 2.822234140791e-19, 3.22497328127958e-19, 3.23641282244634e-19, 3.093001991937e-19, 3.07971994764114e-19, 3.32881034892912e-19, 3.7898366753626196e-19, 4.2868318672294197e-19, 4.743516294984779e-19, 5.156749692426059e-19, 5.535199835143199e-19, 5.893542661103639e-19, 6.25278270597912e-19, 6.62448768506712e-19, 6.997650644892059e-19, 7.34545114860078e-19, 7.64412891671106e-19, 7.8831256052048395e-19, 8.06306606296938e-19, 8.190006517681198e-19, 8.271669460716179e-19, 8.315745339917519e-19, 8.329091471278741e-19, 8.316145884076019e-19, 8.27666825181426e-19, 8.208463592504879e-19, 8.10683752861026e-19, 7.96448413467936e-19, 7.7724792868608e-19, 7.521754665406139e-19, 7.206718673862719e-19, 6.82995081661128e-19, 6.40183319824014e-19, 5.927092239819599e-19, 5.37740145846054e-19, 4.68042257913786e-19, 3.7482441699439795e-19, 2.5073263233782997e-19, 8.9216404775973e-20, -1.186801126399062e-19, -3.86818311276522e-19, -7.3279874232901785e-19, -1.1856427526926798e-18, -1.80828063619776e-18, -2.6995234323929397e-18, -4.02508427053284e-18, -6.086444727837239e-18, -9.467405926203059e-18, -1.5363656265818158e-17, -2.6564889680036998e-17, -5.0160946057271994e-17, -1.076439995495874e-16, -2.8335935731260594e-16]
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: 0.01704175639233682
Energy: 0.01809913595245196
Energy: 0.572005784491875
Energy: 0.1313688918874456
Energy: 0.01809913595245196
Energy: 1.4244272932467592
Energy: 0.1313688918874456
Energy: 1.4244272932457225
Energy: 0.5720057844923784
Energy: 0.13136889188640902
Energy: 0.017041756392840304
Energy: 0.01809913595245196
Energy: 0.13136889188640902
Energy: 1.424427293245219
Energy: 0.01809913595245196
Energy: 1.4244272932410431

minimum gb energy = 0.01704175639233682 eV
minimum distance =  2.68454405443574 Angstroms
sigma value = 1


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

Energy: 1.9291837240331162
Energy: 1.7621086458803426
Energy: 1.8883591420775938
Energy: 1.8843948286303882
Energy: 1.6246536020105973
Energy: 1.8815086404136232
Energy: 1.694067386392883
Energy: 1.8815086404129764
Energy: 1.881806325077067
Energy: 1.8940608449155207
Energy: 2.0851946242227117
Energy: 1.8940608449135812
Energy: 1.6974924794826258
Energy: 1.6945512975594208
Energy: 1.693591550153757
Energy: 1.6945512975587742
Energy: 1.825190929069462
Energy: 1.6938786450188572
Energy: 1.6939131612237015
Energy: 1.6938786450188572
Energy: 1.6269445841048875
Energy: 1.6953459831077708
Energy: 1.6925827777981088
Energy: 1.6953459831071243
Energy: 1.6247776250371655
Energy: 1.6256311268120942
Energy: 1.824363805672897
Energy: 1.625631126810801
Energy: 1.63075073393812
Energy: 1.6291362133119962
Energy: 1.6794529498694533
Energy: 1.6291362133126426
Energy: 1.6736277252896996
Energy: 1.749967968307522
Energy: 1.6872186276686474
Energy: 1.7499679683101081
Energy: 1.7971169668110427
Energy: 1.685207984844685
Energy: 1.6881930539735384
Energy: 1.6852079852266115
Energy: 1.7249693402155584
Energy: 1.7485098690104601
Energy: 1.6777016663000643
Energy: 1.7485098690098135
Energy: 1.6313501955195757
Energy: 1.7432061990302796
Energy: 1.682447813841428
Energy: 1.7432061990302796
Energy: 1.6268260352884072
Energy: 1.6335680149629803
Energy: 1.9255842446565303
Energy: 1.633568014973266
Energy: 1.6266006525355974
Energy: 1.6296418941967592
Energy: 1.6784609106105537
Energy: 1.6296418941935265
Energy: 1.9222486389670432
Energy: 1.6930669122086763
Energy: 1.6945743085608231
Energy: 1.6930669122073838
Energy: 1.694180554796472
Energy: 1.6964576239237021
Energy: 1.6933353162963858
Energy: 1.6964576239243485
Energy: 1.8942003585421123
Energy: 1.885045077496759
Energy: 2.239390829192966
Energy: 1.8850450775032248
Energy: 1.693326547690663
Energy: 1.6971155921532977
Energy: 1.6239933509934794
Energy: 1.697115592152005
Energy: 2.0810495139164273
Energy: 1.893960147560029
Energy: 1.8860732848066788
Energy: 1.893960147561322
Energy: 1.8115419171021765
Energy: 1.6969474201160628
Energy: 1.6972292435039886
Energy: 1.6969474200934926
Energy: 1.698530373821983
Energy: 1.694084808341376
Energy: 1.8257468764174947
Energy: 1.694084808341376
Energy: 1.6923120345234344
Energy: 1.6950973989085891
Energy: 1.626526654248862
Energy: 1.6950973989079425
Energy: 1.8235104253204097
Energy: 1.6292904436292497
Energy: 1.629544517450172
Energy: 1.629290443629896
Energy: 1.6796037332651983
Energy: 1.6284033805655593
Energy: 1.6270518502401872
Energy: 1.628403380562327
Energy: 1.6799789295105565
Energy: 1.7508995736612094
Energy: 1.6729956298233464
Energy: 1.7508995736625024
Energy: 1.6842284028264027
Energy: 1.743529680153797
Energy: 1.7995470007211398
Energy: 1.7435296801531506
Energy: 1.6753243001919342
Energy: 1.749692971064837
Energy: 1.727494832781639
Energy: 1.7496929710628977
Energy: 1.67970621316698
Energy: 1.7420564400271137
Energy: 1.7333573977758017
Energy: 1.7420564400264673
Energy: 1.9276902370793867
Energy: 1.6293084294634406
Energy: 1.6275442148000359
Energy: 1.629308429461501
Energy: 1.82590227045166
Energy: 1.6300954814930766
Energy: 1.6287850647714448
Energy: 1.6300954815925843
Energy: 1.6947550198914298
Energy: 1.6928500216358078
Energy: 1.9224350669020438
Energy: 1.6928500216358078
Energy: 1.6930689331833626
Energy: 1.697761826450035
Energy: 1.6959113216240025
Energy: 1.6977618264506815
Energy: 2.239672625165712
Energy: 1.8839869402034
Energy: 1.8873088005785834
Energy: 1.883986940207926

minimum gb energy = 1.6239933509934794 eV
minimum distance =  2.47027330537851 Angstroms
sigma value = 1


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

Energy: 2.206490634066297
Energy: 1.7894906090738947
Energy: 1.9331304748460139
Energy: 1.931560146159412
Energy: 1.6599705237734774
Energy: 1.9210008577359892
Energy: 1.7251476087449416
Energy: 1.9210008577345148
Energy: 1.9308871254607005
Energy: 1.9333363443391491
Energy: 2.041906776976705
Energy: 1.9333363443384122
Energy: 1.728420467569771
Energy: 1.7240182344556272
Energy: 1.7256364204522137
Energy: 1.7240182344534156
Energy: 2.0450728092019808
Energy: 1.725323638480816
Energy: 1.7261057763111125
Energy: 1.7253236384793418
Energy: 1.6837750266183327
Energy: 1.7253250069839556
Energy: 1.725416692214231
Energy: 1.7253250069832184
Energy: 1.6820842575116617
Energy: 1.6841770892318277
Energy: 1.78606920773298
Energy: 1.6841770892347763
Energy: 1.6842689964629687
Energy: 1.685061601030744
Energy: 1.795034996726488
Energy: 1.6850616010292698
Energy: 1.8031152187324269
Energy: 1.923469489531766
Energy: 1.7021073215206877
Energy: 1.923469489532503
Energy: 1.9193673193248617
Energy: 1.8370394655837798
Energy: 1.7391907837430465
Energy: 1.837039465584517
Energy: 1.8823466761876864
Energy: 1.6823685476093788
Energy: 1.682426605774392
Energy: 1.682368547610116
Energy: 1.8218009368298294
Energy: 1.6901536539228166
Energy: 1.6835452290028736
Energy: 1.6901536539228166
Energy: 1.7249804556749884
Energy: 1.7249627437040311
Energy: 1.8809947588915803
Energy: 1.7249627437106658
Energy: 1.7248624269425263
Energy: 1.7293012150331395
Energy: 1.7452146199466472
Energy: 1.7293012150360882
Energy: 2.2011390115367226
Energy: 1.932868091932126
Energy: 1.935200255445744
Energy: 1.9328680919291774
Energy: 1.6591536826397382
Energy: 1.7302686225134223
Energy: 1.7234403775706264
Energy: 1.730268622511948
Energy: 1.9350490845347625
Energy: 1.932934286567484
Energy: 2.0418384220109695
Energy: 1.932934286563798
Energy: 1.9341993544851697
Energy: 1.7291935397848488
Energy: 1.8823397384192286
Energy: 1.729193539780426
Energy: 2.0405944721889777
Energy: 1.7249091332717623
Energy: 1.7325577820248286
Energy: 1.7249091332710254
Energy: 1.6835932839930634
Energy: 1.7253183752041792
Energy: 1.7234264322407993
Energy: 1.7253183752034422
Energy: 1.6881598236584143
Energy: 1.6884010165594578
Energy: 1.7851138883434379
Energy: 1.6884010165572463
Energy: 1.686251121856011
Energy: 1.6845802536318766
Energy: 1.9228127016389651
Energy: 1.6845802536296652
Energy: 1.8066841534582672
Energy: 1.9270899360982865
Energy: 1.6977872612358678
Energy: 1.927089936097549
Energy: 1.7984067462486728
Energy: 1.7778402874382762
Energy: 1.796294886068459
Energy: 1.7778402874338533
Energy: 1.8849032917458457
Energy: 1.6836816490082058
Energy: 1.6807770895648206
Energy: 1.6836816490096802
Energy: 1.8817719789441218
Energy: 1.6905938098053113
Energy: 1.6852656340039358
Energy: 1.6905938098112085
Energy: 1.7236631870078496
Energy: 1.7253954554291124
Energy: 1.8848354533976244
Energy: 1.725395455428375
Energy: 1.7245955527414092
Energy: 1.7303010367050136
Energy: 1.7440854116490536
Energy: 1.7303010367072251
Energy: 2.2018644026401137
Energy: 1.931163602163822
Energy: 1.9350028395664063
Energy: 1.9311636021667706

minimum gb energy = 1.6591536826397382 eV
minimum distance =  2.46459101067726 Angstroms
sigma value = 25


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

Energy: 2.1406131069384347
Energy: 1.8021977303854577
Energy: 1.9698370503175673
Energy: 1.9676557076514403
Energy: 1.9186281101706602
Energy: 1.9502557493503279
Energy: 1.7535492458599076
Energy: 1.950255749349471
Energy: 1.969275159252982
Energy: 1.9688321537390556
Energy: 1.9820585442352703
Energy: 1.9688321537373417
Energy: 1.7596312384845612
Energy: 2.0632781827473314
Energy: 1.7533008926844167
Energy: 2.0632781827499023
Energy: 1.9841897250419733
Energy: 1.7544790985503003
Energy: 1.7556342134921104
Energy: 1.7544790985494436
Energy: 1.7758125932586992
Energy: 1.7546288644543455
Energy: 1.7556429865171854
Energy: 1.7546288644534886
Energy: 1.7746364661506893
Energy: 1.8818060011862376
Energy: 1.759799086231077
Energy: 1.8818060011862376
Energy: 1.7881880135957828
Energy: 1.8821411930629928
Energy: 1.918838945596833
Energy: 1.8821411930629928
Energy: 1.7726957535427197
Energy: 1.8823177103947162
Energy: 1.8328114214676874
Energy: 1.8823177103955728
Energy: 1.7764174788154283
Energy: 1.8596504638690725
Energy: 1.7546204630459459
Energy: 1.8596504638707865
Energy: 2.1404931493538255
Energy: 1.753931439078973
Energy: 1.7519869316474475
Energy: 1.7539314390772591
Energy: 1.8161330048051305
Energy: 1.7596046078209617
Energy: 1.7535464004820787
Energy: 1.7596046078218186
Energy: 1.9681075840356457
Energy: 1.9677016865018506
Energy: 2.13573863560403
Energy: 1.9677016865027075
Energy: 1.753725251490395
Energy: 1.7607837804530049
Energy: 1.701908098735087
Energy: 1.7607837804547186
Energy: 1.9825118854993302
Energy: 1.9685250937066219
Energy: 1.973929283016121
Energy: 1.9685250937066219
Energy: 1.9728881403791338
Energy: 1.759435697522689
Energy: 1.9698849855026668
Energy: 1.759435697522689
Energy: 1.7518213964587612
Energy: 1.7541929634669353
Energy: 1.9825173766992918
Energy: 1.7541929634669353
Energy: 1.7538236938317728
Energy: 1.754727272946356
Energy: 1.776323000596718
Energy: 1.754727272947213
Energy: 1.7593159541730936
Energy: 1.8822857306032625
Energy: 1.7736164710340199
Energy: 1.8822857306032625
Energy: 1.923132856456556
Energy: 1.8821667034194032
Energy: 1.7742610684847837
Energy: 1.8821667034194032
Energy: 1.833801668451169
Energy: 1.882261177803324
Energy: 1.7720164265871308
Energy: 1.8822611778024672
Energy: 1.8325425344498416
Energy: 1.8887169048331907
Energy: 1.7754530732257159
Energy: 1.88871690483062
Energy: 1.7538142837973625
Energy: 1.7540301348889007
Energy: 2.142393705260129
Energy: 1.754030134887187
Energy: 1.753354897910532
Energy: 1.7614286623633366
Energy: 2.1399671934432924
Energy: 1.7614286623641935
Energy: 2.1379203570468066
Energy: 1.9692992736882808
Energy: 1.9722485998185968
Energy: 1.9692992736891377

minimum gb energy = 1.701908098735087 eV
minimum distance =  2.46047869622666 Angstroms
sigma value = 9


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

Energy: 2.043135670363765
Energy: 1.7949571563220061
Energy: 1.9850322178682516
Energy: 1.9826989919278457
Energy: 1.9766776298070268
Energy: 1.9614666708040474
Energy: 1.807995317550293
Energy: 1.9614666708040474
Energy: 1.9834915554932384
Energy: 1.9827348813953667
Energy: 2.353548593395114
Energy: 1.9827348813953667
Energy: 1.8136274716534455
Energy: 1.959410740811099
Energy: 1.80789360670501
Energy: 1.959410740811099
Energy: 1.911757875082422
Energy: 1.8078608501688174
Energy: 1.805006748329157
Energy: 1.8078608501698397
Energy: 2.018362342636748
Energy: 1.9787811983994354
Energy: 1.8057840694087055
Energy: 1.978781198400458
Energy: 1.7927967664482274
Energy: 1.9197850386034707
Energy: 1.937482462802526
Energy: 1.9197850386024484
Energy: 1.8718489676132057
Energy: 1.9257076857620357
Energy: 2.017199019657088
Energy: 1.9257076857610134
Energy: 1.8059773941930803
Energy: 1.8074405563150446
Energy: 2.051971232808137
Energy: 1.8074405563140226
Energy: 1.8092301746149693
Energy: 1.8141481877387424
Energy: 1.971752142102132
Energy: 1.8141481877387424
Energy: 2.045684456695319
Energy: 1.9826027522228824
Energy: 1.9819806278724952
Energy: 1.9826027522218599
Energy: 1.7919056815066239
Energy: 1.8162997477752452
Energy: 1.808210172306633
Energy: 1.816299747778312
Energy: 1.9817355616153944
Energy: 1.9829024316012265
Energy: 2.347889455569905
Energy: 1.982902431600204
Energy: 1.9828565924375738
Energy: 1.817864885948981
Energy: 2.184812156199545
Energy: 1.8178648859469362
Energy: 1.911266420055941
Energy: 1.8070730664653187
Energy: 1.8064430566030292
Energy: 1.8070730664673633
Energy: 2.018089881490807
Energy: 1.806782549810221
Energy: 1.8070625386172234
Energy: 1.8067825498112433
Energy: 1.799059854370313
Energy: 1.9230430837050687
Energy: 1.9368535282451986
Energy: 1.9230430837040464
Energy: 1.7983752603499545
Energy: 1.9256138271585008
Energy: 2.0158027548268844
Energy: 1.9256138271564565
Energy: 1.8056286122765768
Energy: 1.8080977122393604
Energy: 2.0561030166545815
Energy: 1.8080977122403363
Energy: 1.8082359750094161
Energy: 1.8188858336995597
Energy: 2.0513038795879623
Energy: 1.8188858336924036
Energy: 2.0495622328954894
Energy: 1.814897097586947
Energy: 1.9842718743677723
Energy: 1.8148970975900138

minimum gb energy = 1.7919056815066239 eV
minimum distance =  2.44403117583032 Angstroms
sigma value = 25


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

Energy: 1.939946209945048
Energy: 1.7817716410282611
Energy: 1.9738689655463995
Energy: 1.970858253334802
Energy: 2.0525358400093863
Energy: 1.9020988192791775
Energy: 1.8683659355135724
Energy: 1.9020988192804418
Energy: 1.970801600214541
Energy: 1.9703389998830034
Energy: 2.2391470290229236
Energy: 1.9703389998842677
Energy: 1.971230181173825
Energy: 1.8985854421981374
Energy: 1.871284440985146
Energy: 1.8985854421994017
Energy: 1.84605344132397
Energy: 1.8709305178814357
Energy: 1.8720470300794894
Energy: 1.8709305178814357
Energy: 2.02513271615955
Energy: 2.0871644782069962
Energy: 1.8682510142900293
Energy: 2.087164478209525
Energy: 1.9502125328169302
Energy: 1.9567838389685097
Energy: 1.8634070831246148
Energy: 1.9567838389672454
Energy: 1.891750599742196
Energy: 1.8820708802791046
Energy: 1.8693828932363834
Energy: 1.8820708802803687
Energy: 1.9685716851891695
Energy: 1.9700544815914394
Energy: 2.5428697441069597
Energy: 1.9700544815914394
Energy: 1.971167734060342
Energy: 1.8822510965193238
Energy: 1.9575480804159484
Energy: 1.8822510965193238
Energy: 2.239060875088616
Energy: 1.9701803508042606
Energy: 1.9693820786731893
Energy: 1.9701803508029962
Energy: 2.1081129820242492
Energy: 1.9552925490594948
Energy: 1.9726703282856841
Energy: 1.9552925490582305
Energy: 1.8669075024011295
Energy: 1.9583948924646737
Energy: 1.8478993366261434
Energy: 1.958394892465938
Energy: 1.867204248437423
Energy: 1.9560854850940694
Energy: 2.0304610219719392
Energy: 1.9560854850776344
Energy: 1.8627645459706346
Energy: 1.9560600168326363
Energy: 1.959780402972437
Energy: 1.956060016831372
Energy: 1.8692552143716206
Energy: 1.8815939577385503
Energy: 1.955641584670048
Energy: 1.8815939587975121
Energy: 1.9516766873983493
Energy: 1.882594262574817
Energy: 1.9719830021276408
Energy: 1.882594239907237

minimum gb energy = 1.7817716410282611 eV
minimum distance =  2.42789478486824 Angstroms
sigma value = 17


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

Energy: 2.544877993906191
Energy: 1.9738509281200054
Energy: 2.095507576200897
Energy: 2.0973056947954416
Energy: 1.9400097187360796
Energy: 1.8679241762944638
Energy: 2.096663133524315
Energy: 1.8679241762930319
Energy: 1.8984616707517
Energy: 1.896010109028163
Energy: 2.3559282580159633
Energy: 1.8960101090267307
Energy: 1.8947243481971483
Energy: 1.9620161655841954
Energy: 2.074336196899802
Energy: 1.9620161655849115
Energy: 2.053801459757959
Energy: 1.9977303323763735
Energy: 1.9095251111682023
Energy: 1.9977303323785214
Energy: 2.0505845311208684
Energy: 2.0032339209813883
Energy: 2.055047476207705
Energy: 2.0032339209799566
Energy: 2.1601515617170217
Energy: 1.895654001773522
Energy: 1.8944427574470932
Energy: 1.8956540017728056
Energy: 2.1758713262883274
Energy: 1.9230161033556372
Energy: 1.8994813300801483
Energy: 1.923016103357785
Energy: 2.097350809734725
Energy: 2.0957647725895416
Energy: 2.171866894824546
Energy: 2.0957647725888253
Energy: 2.098030425500279
Energy: 1.996076159801705
Energy: 2.0672572197013706
Energy: 1.9960760693806168
Energy: 2.034330260585209
Energy: 1.8699978407536684
Energy: 1.8889587857091108
Energy: 1.8699978407586801
Energy: 2.193484696203339
Energy: 1.875928548901609
Energy: 1.8696799792533234
Energy: 1.8759285489961208
Energy: 2.166439324008937
Energy: 1.8703132035143724
Energy: 1.8637445222681461
Energy: 1.8703132035129404
Energy: 2.1718845802714357
Energy: 1.9317716559615739
Energy: 1.8696964275784378
Energy: 1.9317716559637217
Energy: 2.0976991988275477
Energy: 2.11431134348189
Energy: 2.166574173289861
Energy: 2.114311343481174
Energy: 2.0994573000212187
Energy: 2.0976044218969725
Energy: 2.1666146695976476
Energy: 2.0976044218969725
Energy: 2.1782843072221154
Energy: 1.8981372275147512
Energy: 1.8951643406030543
Energy: 1.898137227516899
Energy: 2.198285971815364
Energy: 1.8971125275151335
Energy: 1.8952537486382253
Energy: 1.8971125275158498
Energy: 2.0499448160037135
Energy: 1.9985813228573577
Energy: 2.0499464207881584
Energy: 1.9985813228566418
Energy: 1.918980827015386
Energy: 1.9996841457875854
Energy: 2.0583601361153723
Energy: 1.9996841457868693
Energy: 1.8985489162362204
Energy: 1.8700195756388567
Energy: 2.2148919043294195
Energy: 1.8700195756381408
Energy: 1.8993920932548416
Energy: 1.8955406381120425
Energy: 2.16381182587549
Energy: 1.8955406381113262
Energy: 2.0663168575188244
Energy: 1.9685249713063082
Energy: 2.096022453337093
Energy: 1.9685249713077402
Energy: 2.3427289400772446
Energy: 2.0953504165830537
Energy: 2.0944078001713473
Energy: 2.0953504165830537
Energy: 1.8681412309966212
Energy: 1.868817057716283
Energy: 2.079270858860198
Energy: 1.8688170577141352
Energy: 1.8695796049352202
Energy: 1.8727255071292785
Energy: 2.0347394223864246
Energy: 1.8727255071314268
Energy: 1.8716301938419464
Energy: 1.9543792343273267
Energy: 2.185366169551915
Energy: 1.9543792342986868
Energy: 1.8722293294271064
Energy: 1.875072716896494
Energy: 2.1694143683420104
Energy: 1.875072716896494
Energy: 1.8694131352390178
Energy: 1.8689770144955908
Energy: 2.0892218461231264
Energy: 1.8689770144970228
Energy: 2.536661252229592
Energy: 2.0978129367113394
Energy: 2.0935885109226664
Energy: 2.0978129367070433

minimum gb energy = 1.8637445222681461 eV
minimum distance =  2.45362107610256 Angstroms
sigma value = 53


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

Energy: 2.3662289600079784
Energy: 1.781152716908974
Energy: 1.9322109024651206
Energy: 1.935799866929926
Energy: 2.1073492969250514
Energy: 1.8501290634425274
Energy: 2.021729021390682
Energy: 1.8501290634425274
Energy: 1.9335742380764822
Energy: 1.936299772192569
Energy: 2.0253056260884965
Energy: 1.936299772192569
Energy: 1.9315087973464273
Energy: 1.8488999403802682
Energy: 1.9771106600072987
Energy: 1.8488999403769715
Energy: 2.03643886541339
Energy: 1.8468149507788725
Energy: 1.7346814620240614
Energy: 1.846814950780521
Energy: 1.925794362039467
Energy: 1.846687149380724
Energy: 1.7357291156544217
Energy: 1.8466871493790755
Energy: 2.1009896323279595
Energy: 1.9345909654416105
Energy: 1.92943375220744
Energy: 1.9345909654399618
Energy: 2.101574915485095
Energy: 1.8475287237665103
Energy: 1.9334217237280116
Energy: 1.8475286426361661
Energy: 1.9327433024559801
Energy: 1.933995580995237
Energy: 2.0230279952889534
Energy: 1.933995580995237
Energy: 1.9331548362739723
Energy: 1.8466651017306162
Energy: 1.9343615984113236
Energy: 1.846665101753693
Energy: 2.0396014912719966
Energy: 1.8487140853276665
Energy: 1.8121017341281067
Energy: 1.8487140853293147
Energy: 1.9770334870368427
Energy: 1.8477172844843741
Energy: 1.7345002219191765
Energy: 1.8477172844860226
Energy: 2.1019629612132267
Energy: 1.9533770632473086
Energy: 1.93293952821633
Energy: 1.9533770632489573

minimum gb energy = 1.7345002219191765 eV
minimum distance =  2.49370120740736 Angstroms
sigma value = 9


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

Energy: 2.3723489515806335
Energy: 2.0340445521475945
Energy: 2.13211024820377
Energy: 2.1343689978443674
Energy: 1.9966767448411427
Energy: 1.930976658251688
Energy: 2.1354950245331716
Energy: 1.930976658288293
Energy: 1.894193923052629
Energy: 1.898587481607322
Energy: 2.2287472672409465
Energy: 1.8985874816048816
Energy: 1.8949441284829995
Energy: 1.9310997794122018
Energy: 2.2774103735743894
Energy: 1.9310997766601237
Energy: 1.8946318585534543
Energy: 1.8960484966958324
Energy: 2.328969332942416
Energy: 1.896048496698883
Energy: 1.897152575758457
Energy: 1.9444511356422314
Energy: 2.32360288828336
Energy: 1.9444511356434515
Energy: 2.21198643551173
Energy: 2.132947041453795
Energy: 2.1344075267339515
Energy: 2.132947041450745
Energy: 2.167168534140564
Energy: 2.1602377630220495
Energy: 2.134057918990976
Energy: 2.1602377630220495
Energy: 2.0022896650299504
Energy: 2.003291736093339
Energy: 1.985153812487112
Energy: 2.00329173614026
Energy: 1.8832029984593601
Energy: 2.069746762863435
Energy: 2.207206235302169
Energy: 2.0697467628628248
Energy: 1.9697537896285633
Energy: 2.020907971034436
Energy: 2.094559196931855
Energy: 2.0209079710338256
Energy: 1.9636002518929119
Energy: 1.9627105906852258
Energy: 2.3469282940252683
Energy: 1.9627105906827853
Energy: 2.218822993366925
Energy: 1.9615916307328258
Energy: 1.9632763597635787
Energy: 1.961591630727945
Energy: 2.2377745689660435
Energy: 1.9636763716289727
Energy: 1.9628522990978068
Energy: 1.9636763716283627
Energy: 2.20331117934781
Energy: 2.05230062365057
Energy: 2.0052488948173077
Energy: 2.0523006581987686
Energy: 2.0981347884472212
Energy: 2.0015825536309366
Energy: 1.9999913515564638
Energy: 2.001582553628496
Energy: 2.1716521290986646
Energy: 1.9333269853228408
Energy: 2.004213305826481
Energy: 1.9333269843160397
Energy: 2.129940207539249
Energy: 2.1332150819296887
Energy: 2.2535740504250423
Energy: 2.133215082089419
Energy: 2.1341640846253433
Energy: 1.931485547083192
Energy: 1.895675862626271
Energy: 1.9314855405423965
Energy: 2.2338955377545284
Energy: 1.8943854167639864
Energy: 1.8944064066221236
Energy: 1.8943854167633762
Energy: 2.2273992344345723
Energy: 1.936038223668583
Energy: 1.8932570225034344
Energy: 1.936038223669193
Energy: 2.325121353834453
Energy: 1.8981428468719117
Energy: 1.8923813277938921
Energy: 1.8981428468731316
Energy: 2.3320961622924354
Energy: 2.0297876535182735
Energy: 1.8968156616947505
Energy: 2.0297876535176633
Energy: 2.1350579071410176
Energy: 2.133968740597237
Energy: 2.2117158517246036
Energy: 2.1339687405947965
Energy: 2.136703708683678
Energy: 2.1332683848890905
Energy: 2.1668843554287975
Energy: 2.133268384892141
Energy: 1.9886133431229855
Energy: 2.0036664837434404
Energy: 2.0028693296300015
Energy: 2.003666483579439
Energy: 2.2067748730930217
Energy: 2.073831716796655
Energy: 1.8821497215176193
Energy: 2.073831716799096
Energy: 2.0931309906389775
Energy: 2.061503778818247
Energy: 1.9699528543416245
Energy: 2.0615037788164168
Energy: 2.3543947082885603
Energy: 1.9632800860417063
Energy: 1.9631896287846802
Energy: 1.9632800860423163
Energy: 1.9631087404704357
Energy: 2.0396136445339392
Energy: 2.1865321750315867
Energy: 2.0396136445357693
Energy: 1.960110762110445
Energy: 1.9630186485418406
Energy: 2.2112161781883497
Energy: 1.9630186485424508
Energy: 2.0247522626603565
Energy: 2.1476889848393568
Energy: 2.205031959603576
Energy: 2.1476889848381364
Energy: 1.994875450826159
Energy: 2.082372018333077
Energy: 2.094782936079943
Energy: 2.082372018336128
Energy: 2.0112367590840656
Energy: 2.0595438901205507
Energy: 2.0914209830996633
Energy: 2.059543890121161
Energy: 2.2550000650735065
Energy: 2.1338754659373578
Energy: 2.1343324400306973
Energy: 2.133875465939188

minimum gb energy = 1.8821497215176193 eV
minimum distance =  2.45816794058178 Angstroms
sigma value = 73


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

Energy: 2.460875848447659
Energy: 2.0049441738364644
Energy: 2.1008039384723785
Energy: 2.09828782516349
Energy: 1.8972581361906755
Energy: 2.0201262239271127
Energy: 2.097204779372909
Energy: 2.0201262239145295
Energy: 1.9382304707100155
Energy: 1.9392072967694542
Energy: 2.1876968705380633
Energy: 1.93920729677139
Energy: 1.9402488177635862
Energy: 1.9939833964521674
Energy: 2.3117710135656777
Energy: 1.9939833859691554
Energy: 1.9668340465489456
Energy: 1.9708915182742441
Energy: 2.2484824343056116
Energy: 1.9708915182742441
Energy: 1.9659856636402382
Energy: 2.0521975909155685
Energy: 2.2467558411963235
Energy: 2.052197590916536
Energy: 2.2094488324515025
Energy: 2.138111674445352
Energy: 2.135915123239656
Energy: 2.13811167444632
Energy: 2.097597242403868
Energy: 2.135026635175301
Energy: 2.1396022838423043
Energy: 2.1350266351733653
Energy: 2.147156249493116
Energy: 1.9134160735440262
Energy: 2.1912794652065504
Energy: 1.91341607354693
Energy: 2.0093171059782233
Energy: 2.1079941697914797
Energy: 2.174235725653667
Energy: 2.1079941697914797
Energy: 1.9342142656637928
Energy: 1.9832566291327873
Energy: 1.8906438058972608
Energy: 1.9832566291327873
Energy: 1.9346412951109118
Energy: 1.9363731267847846
Energy: 2.265910813304259
Energy: 1.9363731267867206
Energy: 2.1973404931800964
Energy: 1.927336585678273
Energy: 1.996502119867391
Energy: 1.927336585680209
Energy: 2.178295954313068
Energy: 1.9908680536553522
Energy: 1.9878504507867891
Energy: 1.9908680536563204
Energy: 2.3095161185685877
Energy: 2.0832993033376375
Energy: 2.026071732696368
Energy: 2.0832993033395737
Energy: 2.246861984093286
Energy: 1.9891428785352463
Energy: 1.9856752506024993
Energy: 1.9891428785352463
Energy: 2.1962483952691008
Energy: 2.127483011605996
Energy: 1.9860345428730157
Energy: 2.127483011814016
Energy: 2.1178787617150676
Energy: 2.117986816961475
Energy: 2.2094423730626493
Energy: 2.117986816961475
Energy: 2.1598249554202544
Energy: 2.1500251881477377
Energy: 2.1332219769090934
Energy: 2.1500251881506416
Energy: 2.1294394174103344
Energy: 2.0540499602770597
Energy: 2.160588286397108
Energy: 2.0540499602741566
Energy: 2.1301386778631035
Energy: 2.1154084378951716
Energy: 2.0019147737010536
Energy: 2.1154084378942035
Energy: 2.1957716239691205
Energy: 2.098436202298507
Energy: 2.097009950899352
Energy: 2.0984362022965706

minimum gb energy = 1.8906438058972608 eV
minimum distance =  2.44643871147707 Angstroms
sigma value = 7


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

Energy: 2.871090748228577
Energy: 2.063441830413128
Energy: 2.126936424130206
Energy: 2.1272070875982623
Energy: 1.9272550486739544
Energy: 2.1085502875112314
Energy: 2.2172561828536073
Energy: 2.1085502869906216
Energy: 1.947674678799959
Energy: 1.9488439480264437
Energy: 2.1589760875551143
Energy: 1.9488439480264437
Energy: 1.948757492089567
Energy: 1.9909132157243035
Energy: 2.2859881897068393
Energy: 1.9909132157290945
Energy: 1.9684510711625187
Energy: 1.9719839801966312
Energy: 2.2484308296966002
Energy: 1.9719839801959467
Energy: 1.9716974899682966
Energy: 2.0420698538040707
Energy: 2.253905459438895
Energy: 2.042069853806809
Energy: 2.091997151846493
Energy: 1.9752420652549332
Energy: 1.9749090806236056
Energy: 1.9752420652542488
Energy: 2.174653872019157
Energy: 1.9775560771563436
Energy: 1.9764179290945996
Energy: 1.9775560771563436
Energy: 2.24013779397122
Energy: 1.9656686098983738
Energy: 1.9619987894840838
Energy: 1.9656686099017957
Energy: 2.2488604247007937
Energy: 1.9627014264233915
Energy: 1.9652262685019395
Energy: 1.9627014264227072
Energy: 2.1506832206271165
Energy: 2.2238123282600926
Energy: 1.9366586026391268
Energy: 2.2238123284659843
Energy: 2.147669193872566
Energy: 2.1516564855197013
Energy: 2.304297515603864
Energy: 2.1516564855217553
Energy: 2.1377321338365474
Energy: 1.9921543653979277
Energy: 2.1140447252087515
Energy: 1.9921543653999811
Energy: 2.143447367349295
Energy: 2.091400805454054
Energy: 2.02720832907317
Energy: 2.0914008054533695
Energy: 2.1477182757540807
Energy: 2.0576766972746245
Energy: 2.029985500376446
Energy: 2.0576766972725706
Energy: 1.9854749370689837
Energy: 2.0119097221085247
Energy: 2.0092160450686634
Energy: 2.011909722109209
Energy: 2.14441065454763
Energy: 1.992654535026805
Energy: 2.0127581505359213
Energy: 1.9926545350261204
Energy: 1.993193977158545
Energy: 2.0790024871648063
Energy: 2.160626777762046
Energy: 2.079002487167544
Energy: 2.0072895742948282
Energy: 2.097102605011415
Energy: 2.1618444036860986
Energy: 2.0971026050127843
Energy: 2.000926911414051
Energy: 2.004435273906728
Energy: 1.9782417065609617
Energy: 2.0044352739087814
Energy: 1.9953389379047899
Energy: 1.9949367609063118
Energy: 2.249217425344885
Energy: 1.9949367609097342
Energy: 2.2762423450419265
Energy: 2.0368251891985505
Energy: 1.9835348488930011
Energy: 2.0368251892012887
Energy: 2.091458936632673
Energy: 1.9806410916691761
Energy: 1.9789379254566588
Energy: 1.980641091673967
Energy: 2.2735345457040803
Energy: 1.9539390765759237
Energy: 1.9669814086046489
Energy: 1.9539390765800302
Energy: 2.2540825402553777
Energy: 1.9553946953675745
Energy: 1.9526346435003104
Energy: 1.9553946953709969
Energy: 2.201519801219482
Energy: 2.0419153963743
Energy: 1.954174162850736
Energy: 2.041915396291545
Energy: 2.127774380266096
Energy: 2.129936292307473
Energy: 2.615287585484614
Energy: 2.1299362923054197
Energy: 2.1851530801215002
Energy: 2.1326566069800377
Energy: 2.032322873401765
Energy: 2.1326566069800377
Energy: 2.1046443891765128
Energy: 2.046575303281973
Energy: 2.1058052944170442
Energy: 2.0465753032771823
Energy: 2.1092452165367135
Energy: 2.09146760885098
Energy: 2.022458820959002
Energy: 2.091467608848927
Energy: 1.9705451776964535
Energy: 2.125491795196064
Energy: 2.125592215150834
Energy: 2.125491795202224

minimum gb energy = 1.9272550486739544 eV
minimum distance =  2.44082013421145 Angstroms
sigma value = 29


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

Energy: 1.7278261405090456
Energy: 1.7315255130561231
Energy: 1.8859408431620084
Energy: 1.9413572175803724
Energy: 1.7297957511000086
Energy: 1.9246599908601494
Energy: 1.8767185727393936
Energy: 1.9246599908601494
Energy: 2.0680145522126563
Energy: 1.9615117412916254
Energy: 1.8400635653375548
Energy: 1.9615117412892942
Energy: 1.829529827968587
Energy: 1.7635297292232621
Energy: 1.8871878186611624
Energy: 1.7635297292255931
Energy: 1.8773021579339162
Energy: 1.9740735197542645
Energy: 1.7323916474210341
Energy: 1.9740735197542645
Energy: 1.892403769705979
Energy: 2.078429880938533
Energy: 1.7322969371681132
Energy: 2.078429880938533
Energy: 1.731708771096633
Energy: 1.9602151776841432
Energy: 2.0681507914910617
Energy: 1.9602151776818122
Energy: 1.8722270282905507
Energy: 1.772288655197542
Energy: 1.8300435304617029
Energy: 1.7722886552022041
Energy: 1.731417398101262
Energy: 1.7751504273739427
Energy: 1.9640845352176877
Energy: 1.7751504273739427

minimum gb energy = 1.7278261405090456 eV
minimum distance =  2.48278377132901 Angstroms
sigma value = 5


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

Energy: 2.4223846138047467
Energy: 2.1303591148407026
Energy: 1.9221177972043006
Energy: 1.9224046459810236
Energy: 2.138772481901927
Energy: 2.099050665834429
Energy: 2.122746101969602
Energy: 2.0990506658318435
Energy: 2.079247964193753
Energy: 2.0486732125171776
Energy: 2.0824908443878143
Energy: 2.0486732125171776
Energy: 2.021054707095535
Energy: 2.0488950797201024
Energy: 2.164734818203203
Energy: 2.048895079723335
Energy: 2.1334309617127145
Energy: 2.019272749792422
Energy: 2.1709740844754655
Energy: 2.0192727497917753
Energy: 1.9184284798927924
Energy: 1.924235559487017
Energy: 2.146704198547312
Energy: 1.9242355594850773
Energy: 1.9182067270416747
Energy: 1.920668077612031
Energy: 2.164348011850132
Energy: 1.920668077612031
Energy: 1.9300536344899426
Energy: 1.9299175759165175
Energy: 2.1552207692255125
Energy: 1.9299175759113454
Energy: 2.1193808127646863
Energy: 2.2472005362229392
Energy: 2.209984965498475
Energy: 2.2472005362242324
Energy: 2.1105960225072535
Energy: 1.8736084707452774
Energy: 1.8713639222763452
Energy: 1.8736084706929668
Energy: 2.1249205752242584
Energy: 1.874332107265671
Energy: 1.8703672241494442
Energy: 1.8743321072663175
Energy: 2.216664784106221
Energy: 1.877527845686648
Energy: 1.87293970388136
Energy: 1.8775278456918205
Energy: 2.189949401053916
Energy: 2.106011367580216
Energy: 2.1404136995372376
Energy: 2.1060113675847423
Energy: 2.139016047925184
Energy: 2.067348550725552
Energy: 2.117586848012579
Energy: 2.0673485507229663
Energy: 1.9828218925725323
Energy: 1.934880734196267
Energy: 2.1444600655268387
Energy: 1.9348807341975602
Energy: 1.932577073598315
Energy: 1.9320982378680964
Energy: 2.134431941834193
Energy: 1.9320982795899402
Energy: 1.9288662825950988
Energy: 1.9314214556609293
Energy: 2.1254673557787376
Energy: 1.9314214556648086
Energy: 2.133827865858061
Energy: 2.1208092109460246
Energy: 2.1097993795323498
Energy: 2.120809210943439
Energy: 2.1184432637832775
Energy: 2.0919505379220786
Energy: 1.9606453974406317
Energy: 2.0919505379214316
Energy: 2.1536493149301306
Energy: 2.138954022950287
Energy: 2.0232072057536112
Energy: 2.138954022952227
Energy: 2.1289089292327543
Energy: 2.0413761499358296
Energy: 1.9606381814309455
Energy: 2.0413761498660623
Energy: 2.1808645570084053
Energy: 1.929704010559004
Energy: 1.929505886666019
Energy: 1.9297040105577108
Energy: 2.191678245913802
Energy: 1.9301928168894282
Energy: 1.9259577035723217
Energy: 1.9301928168849025
Energy: 2.1562439220278913
Energy: 1.9633278047066802
Energy: 1.9391637105260653
Energy: 1.9633278047112062
Energy: 2.156539665734579
Energy: 2.095754588669859
Energy: 2.1382996130961747
Energy: 2.0957545886646867
Energy: 1.8622954339741367
Energy: 1.8645837637337332
Energy: 2.10736349836982
Energy: 1.8645837637266212
Energy: 1.8618198907119357
Energy: 1.866090350945424
Energy: 2.1337595809961143
Energy: 1.8660903509480105
Energy: 1.8609420832542036
Energy: 1.8619884577009131
Energy: 2.090810457676923
Energy: 1.8619884577009131
Energy: 1.8612310012842708
Energy: 1.8627180998533488
Energy: 2.1899010187066104
Energy: 1.8627180998578747
Energy: 2.1124004398746568
Energy: 2.1697292840886524
Energy: 2.135568609713363
Energy: 2.1697292840776616
Energy: 2.114816972128558
Energy: 1.9279306072429605
Energy: 1.928461735453116
Energy: 1.9279306072429605
Energy: 2.1638547552710357
Energy: 1.917564504694103
Energy: 1.925991127080813
Energy: 1.917564504694103
Energy: 2.084592424042744
Energy: 1.9214707766766967
Energy: 1.9243263381599596
Energy: 1.921470776673464

minimum gb energy = 1.8609420832542036 eV
minimum distance =  2.43148490168028 Angstroms
sigma value = 1


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

Energy: 2.3986488059293936
Energy: 2.0504377128755715
Energy: 1.8676323063097726
Energy: 1.8678951618778572
Energy: 2.121805943204439
Energy: 1.8703383849322763
Energy: 2.077255960102592
Energy: 1.8703383849304887
Energy: 2.078661143333119
Energy: 2.034678483741453
Energy: 2.084476965634146
Energy: 2.0346784837378773
Energy: 1.9179109054367383
Energy: 2.0310918793227386
Energy: 2.175127980539579
Energy: 2.0310918793254205
Energy: 2.0954437929577923
Energy: 1.8666718745440465
Energy: 2.1601811237462836
Energy: 1.8666718745413646
Energy: 1.9570225580443883
Energy: 1.864455336505856
Energy: 2.1576473966389322
Energy: 1.864455336504962
Energy: 1.866524016381247
Energy: 1.8706045712295893
Energy: 2.175542834685679
Energy: 1.8706045712295893
Energy: 1.8793680317497283
Energy: 1.8784783779179826
Energy: 2.1935870536383564
Energy: 1.878478377896528
Energy: 2.194204939729562
Energy: 1.9451100991145922
Energy: 2.209849320853108
Energy: 1.9451100991119104
Energy: 2.0612740752901146
Energy: 1.8772898391653796
Energy: 1.8795525025669049
Energy: 1.877289839161804
Energy: 2.1870973229573765
Energy: 1.8757972789084998
Energy: 1.8720022627668054
Energy: 1.8757972789058182
Energy: 2.193479713820887
Energy: 1.8665444789243395
Energy: 1.8662349701296037
Energy: 1.8665444789252335
Energy: 2.1867224602554978
Energy: 2.17312673594191
Energy: 2.1714576932343204
Energy: 2.173126735945486
Energy: 2.167979013049426
Energy: 2.032911294393561
Energy: 2.0814310586752724
Energy: 2.032911294392667
Energy: 1.9175153728529637
Energy: 2.0324656460844603
Energy: 2.0768145752902045
Energy: 2.0324656460817785
Energy: 1.9169094507871276
Energy: 1.8669873795020377
Energy: 2.175195014503372
Energy: 1.8669873795047196
Energy: 2.148325179467837
Energy: 2.1806928101348624
Energy: 2.143717202708312
Energy: 2.180692810132181
Energy: 1.8855226795709514
Energy: 1.8679225285888568
Energy: 2.141140845406142
Energy: 1.867922528584387
Energy: 1.8675757498283883
Energy: 1.8773957670758465
Energy: 2.208778716791405
Energy: 1.8773957670767403
Energy: 1.867419611532108
Energy: 1.868115434651968
Energy: 2.192800402479134
Energy: 1.8681154352140144
Energy: 2.0600546250349314
Energy: 2.1224224219076464
Energy: 1.8763296555249356
Energy: 2.1224224219103283
Energy: 2.063858632101039
Energy: 1.8798342203395377
Energy: 1.8763753620680088
Energy: 1.8798342203422198
Energy: 2.1665388821877722
Energy: 1.867936695219702
Energy: 1.8658118622605968
Energy: 1.8679366952170204
Energy: 2.181910141811076
Energy: 1.8658384179309608
Energy: 1.864294061702182
Energy: 1.8658384179363243

minimum gb energy = 1.864294061702182 eV
minimum distance =  2.44846153035775 Angstroms
sigma value = 17


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

Energy: 2.527578844259066
Energy: 2.0539960148372405
Energy: 1.887417089257847
Energy: 1.882164380739601
Energy: 2.1025262358500494
Energy: 1.8835922283148252
Energy: 2.044406423831894
Energy: 1.8835922283148252
Energy: 2.1057017811533254
Energy: 2.130907717884303
Energy: 2.0205982215925973
Energy: 2.130907717944478
Energy: 2.1130204917362514
Energy: 2.1273100467114356
Energy: 2.134918533818065
Energy: 2.1273100467064627
Energy: 2.1268438195184025
Energy: 2.10639782309111
Energy: 2.1871806718980236
Energy: 2.1063978217424393
Energy: 1.838270169623928
Energy: 1.8394276701499512
Energy: 2.145677914236137
Energy: 1.8394276673134728
Energy: 1.8413798075665004
Energy: 1.8383627357169872
Energy: 2.1486809126775226
Energy: 1.8383627357142245
Energy: 1.8403947136691432
Energy: 1.8412471673294155
Energy: 2.2530233226581573
Energy: 1.841247167327808
Energy: 2.1922892769301683
Energy: 1.969475275125442
Energy: 2.1427742365093048
Energy: 1.9694752751270996
Energy: 2.0142106833390963
Energy: 2.128262039969342
Energy: 2.0159568967616353
Energy: 2.128262039991443
Energy: 2.180837552040804
Energy: 2.1279986556166133
Energy: 1.9385987564539366
Energy: 2.1279986556166133
Energy: 2.3428511157534957
Energy: 1.8884739180779213
Energy: 2.045505766451932
Energy: 1.888473918075711
Energy: 2.133244026309868
Energy: 1.8833661469661085
Energy: 1.9212881081214235
Energy: 1.8833661469627931
Energy: 2.2071369196291535
Energy: 1.8868776213354577
Energy: 1.8810088816768018
Energy: 1.8868776213387728
Energy: 2.1102936461080453
Energy: 1.8947343969503676
Energy: 1.894757852893584
Energy: 1.8947343969525776
Energy: 2.2685778467682627
Energy: 2.0617590188856005
Energy: 2.066053013459815
Energy: 2.06175901888118
Energy: 1.8939769730082108
Energy: 1.8957851013105982
Energy: 2.1766520808859835
Energy: 1.8957851013100457
Energy: 1.8930559105101064
Energy: 1.8938635357230433
Energy: 2.2149934437659975
Energy: 1.893863535725806
Energy: 1.8806406341184758
Energy: 1.8866648846879828
Energy: 1.9229115383160316
Energy: 1.886664884684115
Energy: 2.032523612677666
Energy: 2.0339368567066107
Energy: 2.248236958881075
Energy: 2.033937148976818
Energy: 2.0166698470633957
Energy: 1.8843892884816453
Energy: 2.186431489422545
Energy: 1.8843892884794353
Energy: 2.016598565795689
Energy: 2.130791258044646
Energy: 2.092520382934156
Energy: 2.130791258047408
Energy: 2.1421470096474273
Energy: 1.9712780521013418
Energy: 2.10772922854519
Energy: 1.9712780521041045
Energy: 2.1744726932439216
Energy: 2.1479438104723387
Energy: 2.1219912014463476
Energy: 2.1479438118011185
Energy: 2.1386383942561378
Energy: 1.8441592948662824
Energy: 1.86706302451699
Energy: 1.84415929486794
Energy: 2.1535985660104626
Energy: 1.8381927855855646
Energy: 1.8404621634770832
Energy: 1.838192785583907
Energy: 2.2509765138577706
Energy: 1.8386522438312567
Energy: 1.8393932396888144
Energy: 1.838652243827389
Energy: 2.1418080877792938
Energy: 1.9679847288015435
Energy: 2.1966884132123443
Energy: 1.967984728815357
Energy: 2.024006483296404
Energy: 2.128318589377834
Energy: 2.0172234122724175
Energy: 2.128318589377834
Energy: 1.9262650770785401
Energy: 2.147026926709983
Energy: 2.183460523287342
Energy: 2.1470269267116406
Energy: 2.0455554266159743
Energy: 2.0339816396193053
Energy: 2.123551238074101
Energy: 2.033981639380161
Energy: 1.9239040756175994
Energy: 1.8860810857228907
Energy: 2.1297753194343367
Energy: 1.886081085722338
Energy: 1.8834810803863138
Energy: 1.8828016600382447
Energy: 2.2052248544031925
Energy: 1.8828016600305093
Energy: 1.8939807692726949
Energy: 1.8935334067385488
Energy: 2.0891160194421348
Energy: 1.8935334067363387
Energy: 2.213062165547629
Energy: 2.217659806945923
Energy: 2.2761057068571535
Energy: 2.2176598069420552
Energy: 2.1788157359283784
Energy: 1.894751425168627
Energy: 1.89191114641589
Energy: 1.8947514251564714
Energy: 2.2098167588552284
Energy: 1.894155566069521
Energy: 1.896044640831627
Energy: 1.8941555660557583
Energy: 2.0542807156216827
Energy: 1.8866676186255809
Energy: 1.8837696417863732
Energy: 1.8866676186338687

minimum gb energy = 1.838192785583907 eV
minimum distance =  2.43700447620417 Angstroms
sigma value = 89


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

Energy: 2.570897287744276
Energy: 1.8886546642051574
Energy: 1.7978554686673585
Energy: 1.7952053632082634
Energy: 1.782206582754345
Energy: 1.9301583957850907
Energy: 1.8584404592765706
Energy: 1.9301583957865365
Energy: 1.7850399095707397
Energy: 1.933401461717118
Energy: 2.079361459906855
Energy: 1.9334014617185635
Energy: 1.7832526864497424
Energy: 1.9315582267610047
Energy: 2.056780879378689
Energy: 1.931558226759559
Energy: 1.9948233159573163
Energy: 1.80584051592297
Energy: 2.0093620882624434
Energy: 1.805840515924416
Energy: 1.8050022011562052
Energy: 1.797381234836751
Energy: 2.0095991411133545
Energy: 1.7973812348309686
Energy: 1.7966365441811407
Energy: 1.8058378859911277
Energy: 2.0408755046528833
Energy: 1.805837885989682
Energy: 1.7961990380425212
Energy: 1.7969201734321452
Energy: 1.7844793646735722
Energy: 1.7969201734306997
Energy: 1.9875177582554493
Energy: 2.238143714858736
Energy: 1.78418407332186
Energy: 2.2381437148572902
Energy: 2.066505640842971
Energy: 1.9336622251096294
Energy: 2.0438016958954774
Energy: 1.933662225111075
Energy: 2.053433241055109
Energy: 1.9324228916902821
Energy: 1.7874706656312411
Energy: 1.9324228917119677
Energy: 2.0092068750068894
Energy: 1.8064479551167236
Energy: 2.042600210104155
Energy: 1.8064479551167236
Energy: 2.008885230064947
Energy: 1.7975658347793033
Energy: 1.806166739368583
Energy: 1.7975658347778576
Energy: 2.007498232119596
Energy: 1.8059905523449047
Energy: 1.801019459047219
Energy: 1.8059905523449047
Energy: 1.7841213170068149
Energy: 1.796888443541398
Energy: 1.7971810668320611
Energy: 1.7968884435399524

minimum gb energy = 1.782206582754345 eV
minimum distance =  2.4322003529417 Angstroms
sigma value = 13


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

Energy: 2.501429716670016
Energy: 2.002053613833585
Energy: 2.224956682766662
Energy: 1.7949933407294858
Energy: 2.193913359478664
Energy: 1.7956037675962337
Energy: 1.9345297474389747
Energy: 1.7956037675962337
Energy: 2.2124250323113177
Energy: 1.919507996651559
Energy: 1.9120964213059843
Energy: 1.9195079966479234
Energy: 2.039007066595059
Energy: 2.1512883484398135
Energy: 1.9115743263056815
Energy: 2.1512883484307244
Energy: 2.1516965901041725
Energy: 2.2711394963645146
Energy: 2.136580360153227
Energy: 2.27113949636512
Energy: 1.9163007853689498
Energy: 1.8552843754918762
Energy: 2.143206123903473
Energy: 1.8552843754876347
Energy: 1.9322976811887937
Energy: 1.8614978120782097
Energy: 2.2438519975706086
Energy: 1.8614978120751802
Energy: 1.9307748496182355
Energy: 1.9213936085669638
Energy: 1.9486854628722137
Energy: 1.9213935989773276
Energy: 1.7944785236953718
Energy: 1.7957561806467077
Energy: 2.1537386336936186
Energy: 1.7957561806461018
Energy: 1.813883819571201
Energy: 1.8010333259770146
Energy: 2.0812128832230536
Energy: 1.8010333259806504
Energy: 1.8100831965268689
Energy: 1.8067549642429683
Energy: 2.5037248028753054
Energy: 1.806754964239939
Energy: 2.1176320941496667
Energy: 2.1211841904433
Energy: 2.08160201190797
Energy: 2.121184190454813
Energy: 2.109455975126592
Energy: 2.1132202091507364
Energy: 2.0807237618206886
Energy: 2.113220209153766
Energy: 2.1528332919363375
Energy: 2.0887688181146196
Energy: 2.0456474534851767
Energy: 2.088768818110378
Energy: 2.2328635163767028
Energy: 2.081414261163044
Energy: 2.102223499883288
Energy: 2.081414261156984
Energy: 1.947595474472785
Energy: 1.846652388581332
Energy: 1.8460469592476307
Energy: 1.8466523885825439
Energy: 2.1334549756551824
Energy: 1.751577452993513
Energy: 1.8184824237821977
Energy: 1.7515774529971486
Energy: 2.1754701989699208
Energy: 1.8176937080366977
Energy: 1.815134011465477
Energy: 1.8176937080366977
Energy: 1.9872544768326217
Energy: 1.8887362512887078
Energy: 1.9473141576781667
Energy: 1.8887362512917374
Energy: 2.1326337076546995
Energy: 1.9641155890463806
Energy: 1.9639254531691603
Energy: 1.9641155890433508
Energy: 2.1456076917436175
Energy: 1.9626521534504933
Energy: 1.9631618942972082
Energy: 1.9626521534317092
Energy: 2.17836857706527
Energy: 2.3046914063186272
Energy: 2.147267031373683
Energy: 2.3046914063125676
Energy: 1.917596215769575
Energy: 1.9990126807419497
Energy: 2.1328441680618875
Energy: 1.999012680742556
Energy: 1.8541267755884054
Energy: 1.8528186418127832
Energy: 2.1126968688980527
Energy: 1.8528186418200547
Energy: 1.9384114760325832
Energy: 1.9280794748715542
Energy: 2.26147628691373
Energy: 1.928079474895131
Energy: 1.7990381005672718
Energy: 1.7956783663142113
Energy: 2.1230122499999196
Energy: 1.7956783663051221
Energy: 1.797570162046423
Energy: 1.8004395309360073
Energy: 2.107792430141088
Energy: 1.8004395309323717
Energy: 1.8074204565003686
Energy: 1.8099588583186441
Energy: 2.2009472834126766
Energy: 1.8099588583204618
Energy: 2.118653539592388
Energy: 2.0609972690519434
Energy: 2.0471877538856003
Energy: 2.0609972691343517
Energy: 1.945569217979977
Energy: 2.015322142619527
Energy: 2.10008330888909
Energy: 2.0153221426237686
Energy: 2.095549890073117
Energy: 2.070548541677125
Energy: 2.1482946957970475
Energy: 2.070548541678337
Energy: 1.9490820714561
Energy: 2.0550314997931407
Energy: 2.116871912310296
Energy: 2.055031499793747
Energy: 1.9469395770984106
Energy: 1.7949999575079196
Energy: 1.795143615667961
Energy: 1.7949999575103435
Energy: 2.207792546796552
Energy: 1.797990799517991
Energy: 1.7940263716062501
Energy: 1.797990799517991
Energy: 2.045525979281479
Energy: 1.7987658216584677
Energy: 1.7957599008240577
Energy: 1.7987658216536753

minimum gb energy = 1.751577452993513 eV
minimum distance =  2.43315024719006 Angstroms
sigma value = 37


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

Energy: 2.142993037708889
Energy: 1.889784354385172
Energy: 1.7015543479654462
Energy: 1.7021684011131077
Energy: 2.178752213957491
Energy: 1.893681045525728
Energy: 1.8896698319265626
Energy: 1.8936810455267705
Energy: 2.036581082995429
Energy: 2.0663366451239593
Energy: 1.887906020361178
Energy: 2.066336645125002
Energy: 2.0351837320690365
Energy: 2.1658029113900077
Energy: 1.8906193246603915
Energy: 2.1658029113889654
Energy: 2.1462783385960713
Energy: 1.9991598697440836
Energy: 1.868618304020463
Energy: 1.9991598697461683
Energy: 1.8351460115413956
Energy: 2.0674709408977496
Energy: 2.0069325707182313
Energy: 2.0674709408977496
Energy: 1.6905232122550145
Energy: 1.7015694991108827
Energy: 2.1461052104301395
Energy: 1.7015694991098405
Energy: 1.9877834694151288
Energy: 1.8913990348386827
Energy: 2.1202914695200294
Energy: 1.891399034835555
Energy: 1.7039009873962987
Energy: 1.7016789890916304
Energy: 2.120526316674413
Energy: 1.7016789890916304
Energy: 1.70168156073464
Energy: 1.7026776578559313
Energy: 2.1939186175342447
Energy: 1.7026776578559313
Energy: 1.7019477595619277
Energy: 1.7021684010933003
Energy: 2.142993037708889
Energy: 1.889784354385172
Energy: 1.8896698319265626
Energy: 1.893681045527813
Energy: 2.1939396667491406
Energy: 1.8936810455288555
Energy: 1.8879060203622209
Energy: 2.0663366451239593
Energy: 2.0365810829943864
Energy: 2.066336645125002
Energy: 1.8906193246593488
Energy: 2.1658029113900077
Energy: 2.0351837320669515
Energy: 2.1658029113900077
Energy: 1.8686183040215052
Energy: 1.9991598697451258
Energy: 2.146278338595029
Energy: 1.9991598697440836
Energy: 2.1115341446139646
Energy: 2.0674709408977496
Energy: 1.691144435196304
Energy: 2.0674709408977496
Energy: 2.1461052104186717
Energy: 1.7015694991098405
Energy: 1.6905232122529295
Energy: 1.7015694991098405
Energy: 2.1202914695210717
Energy: 1.8913990348376402
Energy: 1.987783469417214
Energy: 1.8913990348386827
Energy: 2.120526316675455
Energy: 1.7016789890916304
Energy: 1.7039009873952562
Energy: 1.7016789890905881
Energy: 2.1787522130310806
Energy: 1.7026776578548888
Energy: 1.7016815607335973
Energy: 1.7026776578548888

minimum gb energy = 1.6905232122529295 eV
minimum distance =  2.45612242368437 Angstroms
sigma value = 25


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

Energy: 2.414655225545459
Energy: 1.791343161908846
Energy: 1.5806585893791465
Energy: 1.580757477018302
Energy: 2.177627781466746
Energy: 1.7266540954717307
Energy: 1.7319336398355203
Energy: 1.72665409546359
Energy: 2.037615424009822
Energy: 1.7279064376586197
Energy: 1.7267742273309665
Energy: 1.727906437651293
Energy: 1.8494313984243556
Energy: 2.0618417907822275
Energy: 1.9569156434604147
Energy: 2.0618417907797846
Energy: 2.130160612110631
Energy: 1.9256339315325062
Energy: 1.9619360472135847
Energy: 1.9256339315308777
Energy: 1.8547358613135285
Energy: 2.1872346779740006
Energy: 1.9560658590837494
Energy: 2.1872346779740006
Energy: 1.8545233765513134
Energy: 2.058695096627298
Energy: 2.1267033572302387
Energy: 2.0586950966264843
Energy: 1.9587730894825794
Energy: 2.0613081650986285
Energy: 1.945907331127148
Energy: 2.0613081650986285
Energy: 1.7264158422930913
Energy: 1.730252734338126
Energy: 2.1337221739612344
Energy: 1.730252734337312
Energy: 1.7249033999710948
Energy: 1.5828436023151196
Energy: 2.1294234768456297
Energy: 1.5828436023126775
Energy: 1.5806380199469947
Energy: 1.5826897227303676
Energy: 2.1515133287293757
Energy: 1.5826897227140866
Energy: 1.580758987470875
Energy: 1.5825882131116351
Energy: 2.128857903283265
Energy: 1.5825882131116351
Energy: 1.5807528765318557
Energy: 1.584941425146301
Energy: 2.1787778049188873
Energy: 1.584941425147115
Energy: 1.7245245409343155
Energy: 1.7268827718056226
Energy: 2.0317004933046037
Energy: 1.7268827718056226
Energy: 1.7247107606112042
Energy: 1.7267737343269334
Energy: 2.1297253366691424
Energy: 1.7267737343261194
Energy: 1.7257014647887023
Energy: 1.7274908326982488
Energy: 2.0376614096766303
Energy: 1.7274908327511629
Energy: 1.9565305915360074
Energy: 1.9264184260834158
Energy: 2.0381706841341227
Energy: 1.9264184260842299
Energy: 1.7167239948892592
Energy: 1.9256077608461986
Energy: 2.0965340954278155
Energy: 1.9256077608461986
Energy: 1.9577886425824116
Energy: 2.1873505756893494
Energy: 1.8522093992430353
Energy: 2.1873505756901634
Energy: 2.129434381533892
Energy: 2.0588255882615916
Energy: 1.8534264550391892
Energy: 2.058825588260777
Energy: 2.1541478695372347
Energy: 1.9267797555540593
Energy: 1.7262072841773313
Energy: 1.9267797555532453
Energy: 2.129004303267793
Energy: 1.7269581839979153
Energy: 1.5757594262445909
Energy: 1.7269581839987294
Energy: 2.1148391391594825
Energy: 1.5818382081255589
Energy: 1.7250300797875
Energy: 1.5818382081231164
Energy: 1.9511140926401904
Energy: 1.582607205697365
Energy: 1.5819086856731153
Energy: 1.582607205697365
Energy: 2.128634898806669
Energy: 1.5825685235142357
Energy: 1.5840769179247933
Energy: 1.5825685235142357
Energy: 2.032379046050444
Energy: 1.5847728107251686
Energy: 1.5808271132337892
Energy: 1.5847728107243544

minimum gb energy = 1.5757594262445909 eV
minimum distance =  2.4532000745185 Angstroms
sigma value = 41


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

Energy: 2.583892213227759
Energy: 1.905777572320076
Energy: 1.4642599497296016
Energy: 1.582067936828
Energy: 2.1639441157082264
Energy: 1.5811671494021777
Energy: 1.5833817346535093
Energy: 1.5811671494008426
Energy: 2.0474672720192255
Energy: 1.5789964705013995
Energy: 1.5846457447351632
Energy: 1.5789964701431287
Energy: 1.863246844639305
Energy: 1.878372032965993
Energy: 1.786752309777965
Energy: 1.878372032963991
Energy: 2.1179115760744347
Energy: 1.7625318794023708
Energy: 1.7847920796469252
Energy: 1.762531879401036
Energy: 1.863248822996113
Energy: 2.047789431636277
Energy: 1.7848041866917737
Energy: 2.0477894316382788
Energy: 1.8633711287998171
Energy: 2.0329680760623865
Energy: 1.9615006332181417
Energy: 2.0329680760623865
Energy: 1.960802721358714
Energy: 2.0321818529200057
Energy: 1.7818765333709283
Energy: 2.0321818529206124
Energy: 1.6939195337080093
Energy: 1.8821251498033806
Energy: 1.9632573106392925
Energy: 1.882125149802046
Energy: 1.6973871791907766
Energy: 1.8793444660409615
Energy: 2.1291904601007094
Energy: 1.8793444660396266
Energy: 1.5869400174821782
Energy: 1.7623877195599724
Energy: 1.9553420714295802
Energy: 1.7623877195619748
Energy: 1.5819289416497124
Energy: 1.5790868877920483
Energy: 2.1202854982663277
Energy: 1.5790868879261346
Energy: 1.582192481353042
Energy: 1.4686423832530946
Energy: 2.1105739118542117
Energy: 1.4686423832504247
Energy: 1.46361110946062
Energy: 1.4659313599468022
Energy: 1.9546402250298995
Energy: 1.4659313602516812
Energy: 1.466313513445076
Energy: 1.463779709947628
Energy: 2.1231599857232544
Energy: 1.463779709947628
Energy: 1.463954245943237
Energy: 1.4682640932245468
Energy: 2.0413017712708226
Energy: 1.468264093226549
Energy: 1.5847018466875669
Energy: 1.5795341346600071
Energy: 2.041148563685728
Energy: 1.579534134662009
Energy: 1.5795650820270561
Energy: 1.5822661309914794
Energy: 2.17102325730167
Energy: 1.5822661309934818
Energy: 1.5813336370003812
Energy: 1.580942651797478
Energy: 1.8652582248397456
Energy: 1.5809426517954759
Energy: 1.7865628835322585
Energy: 1.7624798089751141
Energy: 1.8607937922725404
Energy: 1.7624798089791183
Energy: 1.7905604266404143
Energy: 1.9087156367290068
Energy: 1.9605423520239056
Energy: 1.908715636587579
Energy: 1.7877753214423255
Energy: 2.050584773719755
Energy: 1.8639406546393804
Energy: 2.05058477371842
Energy: 1.9620963862426004
Energy: 2.0323982285607682
Energy: 1.865052623776061
Energy: 2.0323982285594338
Energy: 1.7800092624245993
Energy: 2.03340933121919
Energy: 1.7839712974102537
Energy: 2.0334093312185226
Energy: 1.960487967341414
Energy: 1.87707121380074
Energy: 1.6905933804211326
Energy: 1.8770712137880592
Energy: 1.9568811882573156
Energy: 1.8819284715614024
Energy: 1.7859673371075953
Energy: 1.8819284704853154
Energy: 1.9578103859084794
Energy: 1.7632164028380757
Energy: 1.5819721772769517
Energy: 1.7632164028367407
Energy: 2.118821814500086
Energy: 1.5819272479357682
Energy: 1.5831625584543194
Energy: 1.5819272479377704
Energy: 1.9562947808577582
Energy: 1.468242245419161
Energy: 1.5824027185310956
Energy: 1.4682422454184938
Energy: 1.9549690530525625
Energy: 1.4670549085782902
Energy: 1.4636017769251985
Energy: 1.467054908572951
Energy: 2.1158333138464935
Energy: 1.4642812270268908
Energy: 1.4648644362861925
Energy: 1.4642812270275583
Energy: 2.043406034280307
Energy: 1.4669942181188436
Energy: 1.4639339749463676
Energy: 1.4669942181188436

minimum gb energy = 1.4636017769251985 eV
minimum distance =  2.44952508090447 Angstroms
sigma value = 15


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

Energy: 2.276962921520511
Energy: 1.754355890443025
Energy: 2.0449318510712335
Energy: 1.4643429888033275
Energy: 2.139118697568513
Energy: 1.4602298605504003
Energy: 1.4650369216153216
Energy: 1.4602298605509658
Energy: 2.0513083857842713
Energy: 1.4584409500995144
Energy: 1.4547149276849067
Energy: 1.4584409149864304
Energy: 1.8731668155536831
Energy: 1.7279966486639475
Energy: 1.6501638531310945
Energy: 1.7279966488368508
Energy: 2.1086492477383354
Energy: 1.7165181947128132
Energy: 1.638908049522175
Energy: 1.7165181947868267
Energy: 1.8749788797184388
Energy: 1.8675996010454043
Energy: 1.639965068475545
Energy: 1.8675996010454043
Energy: 1.7100759486011865
Energy: 1.8890794081094966
Energy: 1.7957275199232854
Energy: 1.8890794081111926
Energy: 1.965790079835678
Energy: 1.8893766305332536
Energy: 1.6326196927855061
Energy: 1.8893766305332536
Energy: 1.7082665790864755
Energy: 1.9042238814482633
Energy: 1.8043509196683403
Energy: 1.9042238814482633
Energy: 1.7077765986605677
Energy: 1.8894738330372216
Energy: 1.9680679373692747
Energy: 1.8894738330377872
Energy: 1.6328886669744345
Energy: 1.8888994328373252
Energy: 1.7942872916905546
Energy: 1.888899432838456
Energy: 1.545153507656666
Energy: 1.7217862570610618
Energy: 1.970557049991308
Energy: 1.7217862570599312
Energy: 1.6410650474044082
Energy: 1.7179907814377318
Energy: 1.9637531457480362
Energy: 1.7179907814456468
Energy: 1.454756245513022
Energy: 1.6267035534175203
Energy: 1.7931534653997294
Energy: 1.6267035534175203
Energy: 1.455961584206865
Energy: 1.4595115940132755
Energy: 2.10217614727267
Energy: 1.4595115939307814
Energy: 1.468910015552457
Energy: 1.367328520509549
Energy: 1.9623711237825903
Energy: 1.3673285205394623
Energy: 1.3644047148115563
Energy: 1.3648272023003258
Energy: 1.9634861133425334
Energy: 1.3648272022969337
Energy: 1.3619994624532046
Energy: 1.3635303334714972
Energy: 2.1457079796479195
Energy: 1.3635303334731932
Energy: 1.3634539602363946
Energy: 1.3692006807567425
Energy: 1.873498312150264
Energy: 1.3692006807550463
Energy: 1.4635240037541921
Energy: 1.4592221790265891
Energy: 2.0440377357969246
Energy: 1.4592221789661453
Energy: 1.4630261111486422
Energy: 1.4579155504992445
Energy: 2.0979791436592015
Energy: 1.4579155504992445
Energy: 1.4564934590080763
Energy: 1.6260657751996535
Energy: 1.873952664839828
Energy: 1.6260657751985228
Energy: 1.6417038906087207
Energy: 1.6255147078889938
Energy: 1.8725219930913994
Energy: 1.6255147078918208
Energy: 1.6355196794627287
Energy: 1.7169529166554434
Energy: 1.9666867257064011
Energy: 1.7169529870303062
Energy: 1.6335828163271957
Energy: 1.8888413494198586
Energy: 1.7093608086773215
Energy: 1.88884134942212
Energy: 1.795368253305118
Energy: 1.8890191442922437
Energy: 1.9639589352752544
Energy: 1.8890191442922437
Energy: 1.6285951319539465
Energy: 1.8895480001835039
Energy: 1.7979999813519396
Energy: 1.8895480001823732
Energy: 1.9651174584492095
Energy: 1.887604082168462
Energy: 1.7081874544239395
Energy: 1.8876040821701585
Energy: 1.797258774046363
Energy: 1.8902600039315929
Energy: 1.7972504814893253
Energy: 1.8902600039304622
Energy: 1.7931262815816493
Energy: 1.7508693432200049
Energy: 1.6350178325644669
Energy: 1.7508693432211357
Energy: 2.101035302312
Energy: 1.717770359848849
Energy: 1.5453377687285896
Energy: 1.7177703598477185
Energy: 1.7934591238984496
Energy: 1.7267742827941643
Energy: 1.6394690285508327
Energy: 1.726774282783422
Energy: 1.9647221969421405
Energy: 1.625785918552896
Energy: 1.4664613688728878
Energy: 1.6257859185534616
Energy: 2.1044682627803293
Energy: 1.4584710841827948
Energy: 1.4665106012897777
Energy: 1.4584710841810988
Energy: 1.9640398150775493
Energy: 1.4595660740629186
Energy: 1.467797162555311
Energy: 1.4595660740646148
Energy: 2.099531513867268
Energy: 1.3656968537238714
Energy: 1.364970959687071
Energy: 1.3656968537244365
Energy: 2.04580922192178
Energy: 1.3661002571733607
Energy: 1.3627858660832208
Energy: 1.3661002571705336

minimum gb energy = 1.3619994624532046 eV
minimum distance =  2.4516115107325 Angstroms
sigma value = 85


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

Energy: 2.372993769052855
Energy: 1.7685279545236152
Energy: 1.2537071854887267
Energy: 1.3341270587045113
Energy: 2.101262739542075
Energy: 1.3346177137949007
Energy: 1.3331155461233357
Energy: 1.3346177137939201
Energy: 1.8647048851303694
Energy: 1.334691715102653
Energy: 1.3343474856348865
Energy: 1.334691715104124
Energy: 1.7047411108744106
Energy: 1.5735716524030856
Energy: 1.4985675611415918
Energy: 1.573571652398182
Energy: 2.039552564090345
Energy: 1.5744690036779645
Energy: 1.493533071390445
Energy: 1.5744690036779645
Energy: 1.7035698527743297
Energy: 1.7196244033314185
Energy: 1.498296234578726
Energy: 1.7196244033314185
Energy: 1.7033134397556948
Energy: 1.7355667055860113
Energy: 1.6388003779569569
Energy: 1.735566705586992
Energy: 1.9540970568340414
Energy: 1.7353369194844817
Energy: 1.488017948910084
Energy: 1.7353369194849722
Energy: 1.7065502969081228
Energy: 1.7662094954141685
Energy: 1.639560551604624
Energy: 1.7662094954146588
Energy: 1.7088066745705879
Energy: 1.7620962328106895
Energy: 1.7951344072246316
Energy: 1.762096232810199
Energy: 1.6392082160663741
Energy: 1.7634556406035342
Energy: 1.6332230625645174
Energy: 1.763455640601573
Energy: 1.5595601226795628
Energy: 1.7347063814698696
Energy: 1.7952358085294093
Energy: 1.7347063814880128
Energy: 1.6404727587150345
Energy: 1.7341452716153265
Energy: 1.7886274043011776
Energy: 1.7341452716148362
Energy: 1.4917208085331435
Energy: 1.735404499709892
Energy: 1.6324185212864353
Energy: 1.735404499709892
Energy: 1.4100318893971464
Energy: 1.5723955108666576
Energy: 1.9523898628819913
Energy: 1.5723955108666576
Energy: 1.4919409681110916
Energy: 1.5740833569820194
Energy: 1.7868373206247437
Energy: 1.574083356981529
Energy: 1.3331301427014786
Energy: 1.4932471914118608
Energy: 1.7867217641540716
Energy: 1.4932471914118608
Energy: 1.3331791940504005
Energy: 1.3338821808930583
Energy: 2.0716792219804456
Energy: 1.333882180894039
Energy: 1.334589059257657
Energy: 1.2539546020559746
Energy: 1.9409420618430075
Energy: 1.253954602059407
Energy: 1.2533441709851876
Energy: 1.2555341315837973
Energy: 1.9406276267127067
Energy: 1.255534131583307
Energy: 1.2546500834344105
Energy: 1.2543506358202239
Energy: 2.069757954798263
Energy: 1.2543506358207142
Energy: 1.2551226924030563
Energy: 1.254939755852314
Energy: 1.8636854958488178
Energy: 1.2549397558528046
Energy: 1.3330261357788942
Energy: 1.3344403813993988
Energy: 2.0114190384738198
Energy: 1.3344403813979275
Energy: 1.3343630369498765
Energy: 1.335076717601164
Energy: 2.0761446130634167
Energy: 1.3350767175737044
Energy: 1.3335181116804578
Energy: 1.4929553727651048
Energy: 1.7049551146815436
Energy: 1.4929553727660854
Energy: 1.4929507528970305
Energy: 1.5723883508929315
Energy: 2.025361688882212
Energy: 1.5723883508914605
Energy: 1.4984258872322958
Energy: 1.7065719379388609
Energy: 1.8720376721350191
Energy: 1.7065719379398416
Energy: 1.6394577327847595
Energy: 1.7364009826604614
Energy: 1.7035706435393732
Energy: 1.7364009826589906
Energy: 1.6390765838186931
Energy: 1.7348453002230486
Energy: 1.9542268818853985
Energy: 1.7348453002235389
Energy: 1.6387545526953804
Energy: 1.7792010097501543
Energy: 1.7064458894458032
Energy: 1.7792010097506448
Energy: 1.793614188935263
Energy: 1.7626553213506957
Energy: 1.5575299347965645
Energy: 1.762655321351186
Energy: 1.6337543404837134
Energy: 1.7627864883110833
Energy: 1.7933845011561278
Energy: 1.7627864883101025
Energy: 1.7936551220798815
Energy: 1.7347319896666749
Energy: 1.5627549151280917
Energy: 1.7347319896676556
Energy: 1.9536545067737756
Energy: 1.7354216614593567
Energy: 1.5599547036207095
Energy: 1.7354216614593567
Energy: 1.6324772342659097
Energy: 1.7360681730696725
Energy: 1.6396729646226138
Energy: 1.7360681730686918
Energy: 1.9519627463578595
Energy: 1.5730374114770036
Energy: 1.4900932988267033
Energy: 1.5730374114774939
Energy: 1.9446241450488644
Energy: 1.5731238726422414
Energy: 1.4930516249747032
Energy: 1.573123872641261
Energy: 1.7858131061546216
Energy: 1.4930175282567204
Energy: 1.3336656356029573
Energy: 1.4930175282581915
Energy: 2.074208421937344
Energy: 1.3344252753451815
Energy: 1.33303180658146
Energy: 1.334425275344201
Energy: 1.9408471369202487
Energy: 1.3345630088820457
Energy: 1.3356962511864232
Energy: 1.3345630088835168
Energy: 1.7883723317938398
Energy: 1.2540566189102091
Energy: 1.2536640126147842
Energy: 1.2540566189106994
Energy: 2.0763889130943394
Energy: 1.2543312317893187
Energy: 1.2550356644496077
Energy: 1.2543312317888282
Energy: 1.8634140066385065
Energy: 1.253905474738847
Energy: 1.25441799952678
Energy: 1.2539054747373757

minimum gb energy = 1.2533441709851876 eV
minimum distance =  2.45774530576059 Angstroms
sigma value = 113


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

Energy: 0.019280546418504293
Energy: 0.020652796868935036
Energy: 1.7793686497820793
Energy: 1.277511953868338
Energy: 0.02011071540232039
Energy: 0.23594703210262888
Energy: 0.7295931683155572
Energy: 0.23594703210262888
Energy: 0.01995714252037892
Energy: 0.23504492909187039
Energy: 0.736846447492224
Energy: 0.2350449290926243
Energy: 0.019427802589674394
Energy: 0.2355341635078646
Energy: 0.7350374653336715
Energy: 0.23553416350824152
Energy: 0.7377802157977278
Energy: 0.23616184861012546
Energy: 0.7293936726767336
Energy: 0.2361618486097485
Energy: 0.019705968551451396
Energy: 0.2352675262429483
Energy: 0.7379914221756474
Energy: 0.23526752624185934

minimum gb energy = 0.019280546418504293 eV
minimum distance =  2.73867292917097 Angstroms
sigma value = 1