Model name: model_name=Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Fe__SM_042630680993_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.851000159978866
cohesive_energy=4.290337035123409
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013329338624686242
Energy: 0.013781638458975487
Energy: 2.489245907939418
Energy: 0.013781638458975487
Energy: 0.013781638458975487
Energy: 0.013568478298074914
Energy: 0.5231904926366547
Energy: 0.013568478298074914
Energy: 2.489245907939418
Energy: 0.5231904926366547
Energy: 0.013440604016117018
Energy: 0.5231904926366547
Energy: 0.013781638458975487
Energy: 0.013568478298074914
Energy: 0.5231904926366547
Energy: 0.013568478298074914

minimum gb energy = 0.013329338624686242 eV
minimum distance =  2.46620035158709 Angstroms
sigma value = 1


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

Energy: 1.392940835006305
Energy: 0.9019310109053
Energy: 1.168173645045784
Energy: 0.9019310109053
Energy: 1.4135540420869015
Energy: 0.8655562346080711
Energy: 0.9062138421583457
Energy: 0.8655562346080711
Energy: 1.532649571103795
Energy: 0.9048781030953468
Energy: 0.8858984105580744
Energy: 0.9048781030965698
Energy: 1.221656743974887
Energy: 0.8670135393128848
Energy: 0.9480574083563935
Energy: 0.8670135393128848
Energy: 1.2183436560063003
Energy: 0.8671586956255775
Energy: 1.2651426230680858
Energy: 0.8671586956255775
Energy: 1.4269227608406883
Energy: 0.8712129131137425
Energy: 0.8711658008635998
Energy: 0.8712129131137425
Energy: 1.0527186882304636
Energy: 0.87129124547749
Energy: 0.871130614650535
Energy: 0.87129124547749
Energy: 0.8682789031099707
Energy: 0.8691510435240126
Energy: 1.2650467074061043
Energy: 0.8691510435240126
Energy: 1.0616254797733735
Energy: 0.8697377265217862
Energy: 1.2238962240363656
Energy: 0.8697377265230092
Energy: 1.4736030891422458
Energy: 0.8713793758419197
Energy: 1.0557252399979766
Energy: 0.8713793758419197
Energy: 0.8836297721291996
Energy: 0.9297005812397667
Energy: 1.2259150098386338
Energy: 0.9297005812397667
Energy: 0.8837587675172722
Energy: 0.8836980757528002
Energy: 1.8770799101399485
Energy: 0.8836980757528002
Energy: 1.0718451528717352
Energy: 0.9296721269755617
Energy: 1.221694173653006
Energy: 0.9296721269755617
Energy: 0.9040587796011545
Energy: 0.8660893029152004
Energy: 1.2212567048976117
Energy: 0.8660893029164234
Energy: 0.8937005668146452
Energy: 0.8697465991886172
Energy: 1.416017874250347
Energy: 0.8697465991873942
Energy: 0.9031265674866092
Energy: 0.8699797405057283
Energy: 1.4159274159990116
Energy: 0.8699797405057283
Energy: 0.9033249833799298
Energy: 0.8656113722174179
Energy: 1.2209754514454652
Energy: 0.8656113722186407
Energy: 1.0719392396682061
Energy: 0.9286950377261838
Energy: 1.2207413682302113
Energy: 0.9286950377261838
Energy: 0.8769600085223377
Energy: 0.8837028009651655
Energy: 1.9024274860217025
Energy: 0.8837028009663885
Energy: 0.8836838746422621
Energy: 0.9294133523918355
Energy: 1.0558184491224736
Energy: 0.9294133523918355
Energy: 1.4757729390344696
Energy: 0.8713271078652622
Energy: 1.0587099209186415
Energy: 0.8713271078652622
Energy: 1.0605873299117685
Energy: 0.8669588518220551
Energy: 1.223854466138479
Energy: 0.8669588518220551
Energy: 1.0631070784058918
Energy: 0.8692564274914539
Energy: 1.065712356848496
Energy: 0.8692564274914539
Energy: 1.2378313465818838
Energy: 0.8712225845227558
Energy: 0.8711481574356591
Energy: 0.8712225845239788
Energy: 1.4268150458667155
Energy: 0.871290045358179
Energy: 0.871183999098082
Energy: 0.871290045356956
Energy: 1.2184952546737597
Energy: 0.8676287162800211
Energy: 1.2651746446670398
Energy: 0.8676287162787981
Energy: 1.2191194597528499
Energy: 0.8668234210263566
Energy: 0.8941254142135641
Energy: 0.8668234210263566
Energy: 1.637858325109875
Energy: 0.9048869952992808
Energy: 0.8865547218661571
Energy: 0.9048869952992808
Energy: 1.4136804555770441
Energy: 0.8655552103634352
Energy: 0.9070503585401967
Energy: 0.8655552103634352
Energy: 1.2314050664575618
Energy: 0.8692906954542828
Energy: 0.9049046159922215
Energy: 0.8692906954542828
Energy: 1.4155643939672684
Energy: 0.8656730126584563
Energy: 0.8949040105235684
Energy: 0.8656730126584563
Energy: 1.4262457115929692
Energy: 0.8823678386268549
Energy: 0.8864460641750269
Energy: 0.8823678386268549
Energy: 1.2183590465897967
Energy: 0.8671553836734914
Energy: 0.9484699543291492
Energy: 0.8671553836734914

minimum gb energy = 0.8655552103634352 eV
minimum distance =  2.32443696047021 Angstroms
sigma value = 1


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

Energy: 1.5203649495286395
Energy: 0.9141935472562374
Energy: 0.9517762364930662
Energy: 0.9141935472562374
Energy: 1.2920551372408164
Energy: 0.9639608082720958
Energy: 0.9940768544896651
Energy: 0.9639608082720958
Energy: 1.3168446658375224
Energy: 0.936487776877904
Energy: 0.9366990461679082
Energy: 0.936487776877904
Energy: 0.8943895554611472
Energy: 0.9158022875494495
Energy: 0.9894960342606727
Energy: 0.9158022875494495
Energy: 0.8944931008665815
Energy: 0.9158044238835942
Energy: 1.395970143766052
Energy: 0.9158044238835942
Energy: 1.3167461007781156
Energy: 0.9159846855727473
Energy: 0.9159627009401555
Energy: 0.9159846855727473
Energy: 0.939179492101447
Energy: 0.964333788863473
Energy: 0.9159646300365104
Energy: 0.964333788863473
Energy: 0.9159721710227576
Energy: 0.9157741660784081
Energy: 1.3957141519320242
Energy: 0.9157741660784081
Energy: 0.9375175195998372
Energy: 1.057079191817323
Energy: 1.319431213972638
Energy: 1.057079191817323
Energy: 0.9896107631565927
Energy: 0.8943465716477058
Energy: 0.8944351960692117
Energy: 0.8943465716477058
Energy: 0.917114899923816
Energy: 0.9883643360092135
Energy: 1.3199201808443461
Energy: 0.9883643360092135
Energy: 0.916644974634682
Energy: 0.9158168766838537
Energy: 1.7906126025927354
Energy: 0.9158168766838537
Energy: 0.9900107794133377
Energy: 0.8940814274864647
Energy: 1.2901953969380862
Energy: 0.8940814274864647
Energy: 0.9900107794133377
Energy: 0.8940037567658975
Energy: 1.2902454362380917
Energy: 0.8940037567658975
Energy: 0.9165729293378695
Energy: 0.9158159387037057
Energy: 1.78791616038056
Energy: 0.9158159387023115
Energy: 0.9173385072663706
Energy: 0.9879909480743206
Energy: 1.3199352876209722
Energy: 0.9879909480743206
Energy: 0.9896107631565927
Energy: 0.8943427249497359
Energy: 0.8944534189255537
Energy: 0.8943427249497359
Energy: 0.9377646246040243
Energy: 0.8947122032647256
Energy: 1.3194538319736344
Energy: 0.8947122032647256
Energy: 0.9159744557413069
Energy: 0.915779932445036
Energy: 1.3957141519334189
Energy: 0.915779932445036
Energy: 0.9390885434916336
Energy: 0.9643313944664511
Energy: 0.9159559047834611
Energy: 0.9643313944664511
Energy: 1.3167682485471297
Energy: 0.9160110000391277
Energy: 0.9159522417777433
Energy: 0.9160110000391277
Energy: 0.8943693309275046
Energy: 0.9158923442331824
Energy: 1.395970143766052
Energy: 0.9158923442331824
Energy: 0.8942552094138936
Energy: 0.9157516972256118
Energy: 0.9894960342606727
Energy: 0.9157516972256118
Energy: 1.3168548482029463
Energy: 0.9365126697000532
Energy: 0.9366738003564266
Energy: 0.9365126697000532
Energy: 1.2920697927217308
Energy: 0.9638670610145761
Energy: 0.9940768544896651
Energy: 0.9638670610145761
Energy: 1.5203649495286395
Energy: 0.9141935472562374
Energy: 0.9517761418119345
Energy: 0.9141935472562374
Energy: 1.2920551372408164
Energy: 0.9639608082720958
Energy: 0.9940768544896651
Energy: 0.9639608082720958
Energy: 1.3168446658375224
Energy: 0.936487776877904
Energy: 0.9366990461679082
Energy: 0.936487776877904
Energy: 0.8943895554611472
Energy: 0.9158022875494495
Energy: 0.9894960342606727
Energy: 0.9158022875494495

minimum gb energy = 0.8940037567658975 eV
minimum distance =  2.31285608421435 Angstroms
sigma value = 25


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

Energy: 1.3078696459461365
Energy: 1.0769791337372718
Energy: 1.010349918879629
Energy: 1.0769791337372718
Energy: 1.4093045855805724
Energy: 0.9659866070712041
Energy: 1.0354586713636906
Energy: 0.9659866070728251
Energy: 1.424899872808312
Energy: 0.9938611727739546
Energy: 0.99381316229803
Energy: 0.9938611727739546
Energy: 1.2205473727378404
Energy: 0.9608341543662857
Energy: 1.035748997101869
Energy: 0.9608341543662857
Energy: 1.2197893263382364
Energy: 0.9610426030587653
Energy: 1.2293990768791112
Energy: 0.9610426030587653
Energy: 1.424324261317516
Energy: 0.9661394638376383
Energy: 0.966153694275581
Energy: 0.9661394638376383
Energy: 0.9908174597927438
Energy: 0.9606509447441449
Energy: 0.9661619680324264
Energy: 0.9606509447441449
Energy: 0.9696383846573612
Energy: 0.9903115102840121
Energy: 1.4644600110203652
Energy: 0.9903115102840121
Energy: 1.0406497187721946
Energy: 1.044474414638169
Energy: 1.21197342253906
Energy: 1.044474414638169
Energy: 1.033171901323472
Energy: 0.9550602824789878
Energy: 1.2118092489254169
Energy: 0.9550602824789878
Energy: 1.01060732332985
Energy: 0.9606114523739422
Energy: 1.4134351000233647
Energy: 0.9606114523739422
Energy: 1.0215402348845057
Energy: 0.9905751566354485
Energy: 1.4056157614213711
Energy: 0.9905751566354485
Energy: 1.0310458480249658
Energy: 0.9550571219647753
Energy: 1.2119570227011704
Energy: 0.9550571219663965
Energy: 1.0380904517836265
Energy: 1.0444229403458332
Energy: 1.2119801819543783
Energy: 1.0444229403458332
Energy: 0.9925980306862299
Energy: 0.9903141282963533
Energy: 1.7350459271603693
Energy: 0.9903141282963533
Energy: 0.990377405452101
Energy: 0.9606308308027122
Energy: 0.9664082111970705
Energy: 0.9606308308027122
Energy: 1.7474613456790562
Energy: 0.9661878129731882
Energy: 0.9660997225915181
Energy: 0.9661878129731882
Energy: 1.2196037937004711
Energy: 0.9607906889677356
Energy: 1.2295281439878372
Energy: 0.9607906889677356
Energy: 1.0938598665317516
Energy: 0.9607671355381774
Energy: 1.035719579174531
Energy: 0.9607671355381774
Energy: 1.202554307483542
Energy: 0.9662021287828508
Energy: 0.9945819618904156
Energy: 0.9662021287828508
Energy: 1.4115046553937953
Energy: 0.9660774302188242
Energy: 1.018344303036719
Energy: 0.9660774302188242
Energy: 1.2219451967886177
Energy: 0.9552884675426137
Energy: 1.0353865001375933
Energy: 0.9552884675426137
Energy: 1.4109019346810516
Energy: 1.038030885435187
Energy: 1.0355234256304915
Energy: 1.038030885435187
Energy: 1.5796233592111386
Energy: 1.00270126408342
Energy: 1.0031033445594018
Energy: 1.00270126408342
Energy: 1.2200237291805094
Energy: 0.9609777850231765
Energy: 0.9859952735348014
Energy: 0.9609777850231765

minimum gb energy = 0.9550571219647753 eV
minimum distance =  2.33223346949307 Angstroms
sigma value = 9


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

Energy: 0.9787954297444074
Energy: 0.9778371768024925
Energy: 1.0992575759102075
Energy: 0.9778371768024925
Energy: 0.9778362510442605
Energy: 1.0159168697575858
Energy: 1.0157173022286414
Energy: 1.015916869757388
Energy: 1.0647168827497366
Energy: 1.0643146231415426
Energy: 1.064337234494319
Energy: 1.064314623141345
Energy: 1.0157726784496373
Energy: 1.0158250887196998
Energy: 1.0158359596247963
Energy: 1.0158250887196998
Energy: 1.0159940971555474
Energy: 1.0163750163882328
Energy: 1.0646574469281636
Energy: 1.0163750163882328
Energy: 1.7356942250026581
Energy: 1.0159195608753038
Energy: 1.0159009796286402
Energy: 1.0159195608753038
Energy: 1.0171339857159472
Energy: 1.0161442840130346
Energy: 1.0159502002050604
Energy: 1.016144284012837
Energy: 1.0158134184568215
Energy: 1.0163619697158577
Energy: 1.5504484250708896
Energy: 1.0163619697158577
Energy: 1.1938996931677035
Energy: 1.0158039547804807
Energy: 0.9778462537404456
Energy: 1.0158039547804807
Energy: 1.1945679988967786
Energy: 0.977728666804466
Energy: 0.9780742550648809
Energy: 0.977728666804466
Energy: 1.0164231296104678
Energy: 1.015745461691333
Energy: 1.550955012126428
Energy: 1.0157454616915307
Energy: 1.0990395015701957
Energy: 0.9776693972489714
Energy: 1.0643984528501729
Energy: 0.9776693972491692
Energy: 1.1938137349766573
Energy: 1.0157062020683132
Energy: 1.0162309221706984
Energy: 1.0157062020683132
Energy: 1.0649029756077497
Energy: 1.0682937495167433
Energy: 1.064963713455456
Energy: 1.0682937495169413
Energy: 1.016212441831827
Energy: 1.015708860442438
Energy: 1.1938137349772509
Energy: 1.015708860442438
Energy: 1.0643619465467817
Energy: 0.9776288390986605
Energy: 1.0990035030421699
Energy: 0.9776288390986605
Energy: 1.5509668861984427
Energy: 1.0156774962482653
Energy: 1.0164486545889704
Energy: 1.0156774962480675
Energy: 0.9780354509637429
Energy: 0.977711193418995
Energy: 1.1945679988965805
Energy: 0.977711193418995
Energy: 0.977884326283297
Energy: 1.0157424841088474
Energy: 1.1938996931673078
Energy: 1.0157424841090452
Energy: 1.5505564997604906
Energy: 1.0161941850056615
Energy: 1.0157937970500608
Energy: 1.0161941850056615
Energy: 1.0159213864591887
Energy: 1.0162751470699267
Energy: 1.0171766123687365
Energy: 1.0162751470699267

minimum gb energy = 0.9776288390986605 eV
minimum distance =  2.29950482293165 Angstroms
sigma value = 25


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

Energy: 1.1145149928137885
Energy: 1.0717333377370946
Energy: 1.1691159827599185
Energy: 1.071733337736877
Energy: 1.3950371744892602
Energy: 1.1648183432103436
Energy: 1.1322287564070528
Energy: 1.164818343210099
Energy: 1.2435206518741082
Energy: 1.1186708261002865
Energy: 1.1320094457749315
Energy: 1.1186708261002865
Energy: 1.0825947917985224
Energy: 1.1548006156477129
Energy: 1.0985770600407272
Energy: 1.1548006156479573
Energy: 1.1555062887521008
Energy: 1.1647138054516102
Energy: 1.4348466329944092
Energy: 1.1647138054516102
Energy: 1.4986292747899264
Energy: 1.1122556868542257
Energy: 1.1122263728431863
Energy: 1.1122556868542257
Energy: 1.1932734769139115
Energy: 1.1549873749732502
Energy: 1.1123946662493795
Energy: 1.1549873749732502
Energy: 1.1553473350431545
Energy: 1.1856765316327085
Energy: 1.4365165532574098
Energy: 1.1856765316331979
Energy: 1.1860801237165586
Energy: 1.1122703074153455
Energy: 1.1120736707061178
Energy: 1.112270307415101
Energy: 1.2302720180304043
Energy: 1.112502750506775
Energy: 1.1121197877534477
Energy: 1.1125027505070197
Energy: 1.1195731012440966
Energy: 1.1548558819735477
Energy: 1.4272539604884356
Energy: 1.1548558819735477
Energy: 1.1546309978121403
Energy: 1.1127090257095476
Energy: 1.0988556656218353
Energy: 1.1127090257097922
Energy: 1.3769724364686335
Energy: 1.0992839181202358
Energy: 1.119849289121528
Energy: 1.0992839181202358
Energy: 1.4099903366096458
Energy: 1.164154038236619
Energy: 1.244621002298401
Energy: 1.1641540382368634
Energy: 1.4111343149807647
Energy: 1.0571527189280128
Energy: 1.2441617149185136
Energy: 1.0571527189280128
Energy: 1.395296070725037
Energy: 1.103499856225393
Energy: 1.0995300785215316
Energy: 1.1034998562256377
Energy: 1.15514565233751
Energy: 1.1122693077249757
Energy: 1.119469457149238
Energy: 1.1122693077249757

minimum gb energy = 1.0571527189280128 eV
minimum distance =  2.28780796879161 Angstroms
sigma value = 17


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

Energy: 1.5129306738603538
Energy: 1.1315361520079044
Energy: 1.214495568406006
Energy: 1.1315361520079044
Energy: 1.337667159615625
Energy: 1.1959983705260535
Energy: 1.2332575432916602
Energy: 1.1959983705260535
Energy: 1.343751632198105
Energy: 1.1750560561744927
Energy: 1.1608093255829233
Energy: 1.1750560561744927
Energy: 1.15243426030312
Energy: 1.1489319173968366
Energy: 1.1996079918089224
Energy: 1.1489319173968366
Energy: 1.1448601100303952
Energy: 1.1934469353449089
Energy: 1.3813394668733614
Energy: 1.1934469353449089
Energy: 1.3662739236850747
Energy: 1.129490830807427
Energy: 1.1717718783000002
Energy: 1.129490830807427
Energy: 1.271499980932032
Energy: 1.1518348183523222
Energy: 1.337767899835508
Energy: 1.1518348183523222
Energy: 1.1833480656585091
Energy: 1.1493024569984533
Energy: 1.4250994982148475
Energy: 1.1493024569984533
Energy: 1.162606523252233
Energy: 1.1893287067290987
Energy: 1.1365752737975021
Energy: 1.1893287067290987
Energy: 1.3466109186860558
Energy: 1.2227103229335081
Energy: 1.1894193017206005
Energy: 1.2227103229335081
Energy: 1.1737645595140362
Energy: 1.1734730245858545
Energy: 1.3451982047973914
Energy: 1.1734730245858545
Energy: 1.17330323599786
Energy: 1.1896343085308922
Energy: 1.2248238069470216
Energy: 1.1896343085308922
Energy: 1.359038799346529
Energy: 1.2036253073476155
Energy: 1.2275496373739965
Energy: 1.2036253073476155
Energy: 1.1732313243608439
Energy: 1.1736854189411459
Energy: 1.2084896320648548
Energy: 1.1736854189411459
Energy: 1.173509568547052
Energy: 1.145513067073393
Energy: 1.3736302285896436
Energy: 1.145513067073393
Energy: 1.3970349391956327
Energy: 1.1894097223015663
Energy: 1.136353461062335
Energy: 1.1894097223015663
Energy: 1.1786902681914748
Energy: 1.2359392310877753
Energy: 1.189418963303398
Energy: 1.2359392310877753
Energy: 1.1637963297173888
Energy: 1.212821360367815
Energy: 1.347835327336139
Energy: 1.212821360367815
Energy: 1.2402283528224747
Energy: 1.1301773277560916
Energy: 1.2572427723568498
Energy: 1.1301773277560916
Energy: 1.3672781475464801
Energy: 1.129873946125082
Energy: 1.330345791712557
Energy: 1.129873946125082
Energy: 1.1489877719767858
Energy: 1.2178458431924526
Energy: 1.398926541079016
Energy: 1.2178458431924526
Energy: 1.1489417105578277
Energy: 1.2403080137996718
Energy: 1.1749308082812844
Energy: 1.2403080137996718
Energy: 1.378542419894128
Energy: 1.1747975810587192
Energy: 1.1751584934527617
Energy: 1.1747975810587192
Energy: 1.3283763203425258
Energy: 1.1358078591588876
Energy: 1.2624918013321647
Energy: 1.1358078591588876
Energy: 1.3285437936145208
Energy: 1.1357333628816975
Energy: 1.2594161304469402
Energy: 1.1357333628816975
Energy: 1.3752500725795491
Energy: 1.1731618343975252
Energy: 1.1729422552234112
Energy: 1.1731618343975252
Energy: 1.1451856429057024
Energy: 1.1897022313371763
Energy: 1.1754419317179008
Energy: 1.1897022313371763
Energy: 1.1493904472149878
Energy: 1.1490567537333778
Energy: 1.4035959545056804
Energy: 1.1490567537333778
Energy: 1.3141272033380564
Energy: 1.2199132388131924
Energy: 1.3321048953225292
Energy: 1.2199132388131924
Energy: 1.2156673349076819
Energy: 1.129627414491324
Energy: 1.1695047065170852
Energy: 1.1296274144926788

minimum gb energy = 1.129490830807427 eV
minimum distance =  2.28685885728717 Angstroms
sigma value = 53


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

Energy: 1.1482120141287124
Energy: 1.1484810295636365
Energy: 1.3132168101963397
Energy: 1.1484810295636365
Energy: 1.233470111717519
Energy: 1.1504657531502247
Energy: 1.1483276639451356
Energy: 1.1504657531502247
Energy: 1.1484824386127572
Energy: 1.2340313200781787
Energy: 1.2672378783720433
Energy: 1.2340313200781787
Energy: 1.2672230648283285
Energy: 1.2338429654410938
Energy: 1.1485378741695393
Energy: 1.2338429654408105
Energy: 1.1481879681112852
Energy: 1.1496426086215548
Energy: 1.2334644257323313
Energy: 1.149642608620917
Energy: 1.3132168149401675
Energy: 1.1484810295636365
Energy: 1.1482120141283936
Energy: 1.1484810295636365
Energy: 1.1483276639457736
Energy: 1.150465753150508
Energy: 1.233470111717519
Energy: 1.150465753150508
Energy: 1.2672378783723266
Energy: 1.2340313200778599
Energy: 1.1484824386327057
Energy: 1.2340313200781787
Energy: 1.1485378741337176
Energy: 1.2338429654417316
Energy: 1.267223064828612
Energy: 1.2338429654414127
Energy: 1.2334644257323313
Energy: 1.149642608620917
Energy: 1.148187968111604
Energy: 1.149642608620917
Energy: 1.1482120141287124
Energy: 1.1484810295636365
Energy: 1.3132168200134435
Energy: 1.1484810295636365
Energy: 1.233470111717838
Energy: 1.1504657531502247
Energy: 1.1483276639451356
Energy: 1.1504657531502247
Energy: 1.1484824386520163
Energy: 1.2340313200781787
Energy: 1.2672378783720433
Energy: 1.2340313200781787

minimum gb energy = 1.1481879681112852 eV
minimum distance =  2.2753394669562 Angstroms
sigma value = 9


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

Energy: 1.3556278859031092
Energy: 1.2506632071972075
Energy: 1.4016350707999536
Energy: 1.2506632071983614
Energy: 1.5133651080780255
Energy: 1.2408222678298277
Energy: 1.3494821391394205
Energy: 1.240822267830982
Energy: 1.2851180679563363
Energy: 1.213781433781642
Energy: 1.213865642551582
Energy: 1.213781433781642
Energy: 1.2250410530051252
Energy: 1.234621041929905
Energy: 1.3225841745758966
Energy: 1.234621041929905
Energy: 1.278662760587789
Energy: 1.2025726013784979
Energy: 1.5130616960435685
Energy: 1.2025726013784979
Energy: 1.4742933238537046
Energy: 1.3259260199397216
Energy: 1.3530259671693077
Energy: 1.3259260199397216
Energy: 1.3074185557672913
Energy: 1.2984024997519479
Energy: 1.5386701391543782
Energy: 1.2984024997519479
Energy: 1.202645382128826
Energy: 1.2379718461416065
Energy: 1.2885434407527512
Energy: 1.2379718461416065
Energy: 1.2867612949339589
Energy: 1.214013759640435
Energy: 1.2470017002487492
Energy: 1.214013759640435
Energy: 1.3585563977080217
Energy: 1.2139884399427119
Energy: 1.3067360985335235
Energy: 1.2139884399438658
Energy: 1.221079343997991
Energy: 1.3346503125341669
Energy: 1.4946345794135374
Energy: 1.3346503125341669
Energy: 1.5548367148150144
Energy: 1.304425430710545
Energy: 1.2845622325807748
Energy: 1.304425430710545
Energy: 1.2701299822689678
Energy: 1.2235361968360434
Energy: 1.2260777047715725
Energy: 1.2235361968348895
Energy: 1.2772452574458106
Energy: 1.2808527596067847
Energy: 1.3770811295468801
Energy: 1.2808527596067847
Energy: 1.2815030167163348
Energy: 1.2381430866420462
Energy: 1.2235646722549902
Energy: 1.2381430866420462
Energy: 1.5068778002116325
Energy: 1.2234123704940745
Energy: 1.2285185888310268
Energy: 1.2234123704940745
Energy: 1.358962463431695
Energy: 1.2240995247342514
Energy: 1.5745139091736797
Energy: 1.2240995247342514
Energy: 1.2232427008469842
Energy: 1.3369791524229795
Energy: 1.3025954269895728
Energy: 1.3369791524229795
Energy: 1.4816695691241273
Energy: 1.303074910968702
Energy: 1.2649127572013845
Energy: 1.303074910968702
Energy: 1.2377989819396602
Energy: 1.224006733780556
Energy: 1.243113998281703
Energy: 1.224006733780556
Energy: 1.2019080624829122
Energy: 1.2379346645851035
Energy: 1.4910618135851432
Energy: 1.2379346645851035
Energy: 1.4778085677087256
Energy: 1.2023888310304192
Energy: 1.3505721270132267
Energy: 1.2023888310304192
Energy: 1.370639208994199
Energy: 1.330455416705379
Energy: 1.352837851402536
Energy: 1.330455416705379
Energy: 1.2940531995662299
Energy: 1.324603652419634
Energy: 1.4374512567599804
Energy: 1.324603652419634
Energy: 1.2240020537148275
Energy: 1.2381565862707304
Energy: 1.213507383370266
Energy: 1.2381565862707304
Energy: 1.4494094115437826
Energy: 1.261653042287305
Energy: 1.2138867793848258
Energy: 1.2616530422861507
Energy: 1.4334789018244385
Energy: 1.1994875687572937
Energy: 1.515813596563251
Energy: 1.1994875687572937
Energy: 1.356532321213963
Energy: 1.1995694342745125
Energy: 1.5152284379002763
Energy: 1.1995694342745125
Energy: 1.4359074673124324
Energy: 1.261591314541319
Energy: 1.2633204948182801
Energy: 1.261591314541319
Energy: 1.2238769028946077
Energy: 1.2382127393048923
Energy: 1.213593167181646
Energy: 1.2382127393048923
Energy: 1.285075261324065
Energy: 1.3231898469967547
Energy: 1.4423795685402452
Energy: 1.3231898469979086
Energy: 1.3706008186644794
Energy: 1.2026226882825513
Energy: 1.3557685826373516
Energy: 1.2026226882825513
Energy: 1.5759714755511305
Energy: 1.2026231228737816
Energy: 1.350875782846245
Energy: 1.2026231228737816
Energy: 1.2021210313355355
Energy: 1.2381717390133955
Energy: 1.4924649385424478
Energy: 1.2381717390122413
Energy: 1.237835913462518
Energy: 1.2240683926740434
Energy: 1.2426848523330891
Energy: 1.2240683926740434

minimum gb energy = 1.1994875687572937 eV
minimum distance =  2.25312740792839 Angstroms
sigma value = 73


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

Energy: 1.4062017897329555
Energy: 1.3311405655721622
Energy: 1.4489624865147606
Energy: 1.3311405655719748
Energy: 1.4336952177501312
Energy: 1.2619021819175773
Energy: 1.3623968892560867
Energy: 1.2619021819175773
Energy: 1.312655369073369
Energy: 1.2638448333712804
Energy: 1.1956683411935551
Energy: 1.2638448333714676
Energy: 1.2371494602263926
Energy: 1.2120865519432094
Energy: 1.3259385681727458
Energy: 1.2120865519432094
Energy: 1.385439352383148
Energy: 1.2121180981753121
Energy: 1.4190028470873577
Energy: 1.2121180981753121
Energy: 1.6211537568099101
Energy: 1.3523647059782062
Energy: 1.1975121581977128
Energy: 1.352364705978019
Energy: 1.2734747322322468
Energy: 1.337532794896056
Energy: 1.4663322507515357
Energy: 1.3375327948962432
Energy: 1.2136246457674562
Energy: 1.212085202148233
Energy: 1.3123239357584078
Energy: 1.212085202148233
Energy: 1.4797835418628946
Energy: 1.2638158764414764
Energy: 1.31123605268317
Energy: 1.2638158764413099
Energy: 1.2121748635906104
Energy: 1.2637344718506935
Energy: 1.3159720787718057
Energy: 1.2637344718508807
Energy: 1.21205423227362
Energy: 1.2119483199843797
Energy: 1.5980164295100028
Energy: 1.2119483199843797
Energy: 1.5197961688853976
Energy: 1.2121999817093607
Energy: 1.4192923348696533
Energy: 1.2121999817093607
Energy: 1.3781804879795512
Energy: 1.2123200573263802
Energy: 1.1960446243421887
Energy: 1.2123200573265673
Energy: 1.27458875840629
Energy: 1.360842774888944
Energy: 1.480344296726245
Energy: 1.360842774888944
Energy: 1.2365593114360276
Energy: 1.2119631546067398
Energy: 1.2230018736370014
Energy: 1.2119631546067398
Energy: 1.3482514857279013
Energy: 1.2637295027146493
Energy: 1.1959715660889467
Energy: 1.2637295027146493
Energy: 1.394586558922633
Energy: 1.1959928449331383
Energy: 1.5963245606931913
Energy: 1.1959928449331383
Energy: 1.3954665494054987
Energy: 1.1962698092184247
Energy: 1.5974780356833136
Energy: 1.196269809218591
Energy: 1.5170973429581633
Energy: 1.2639061693957918
Energy: 1.2230209200030426
Energy: 1.2639061693956253
Energy: 1.236562011647531
Energy: 1.2119859851974435
Energy: 1.1957303248580633
Energy: 1.211985985197256
Energy: 1.3134073883640376
Energy: 1.2372900821470694
Energy: 1.4841767280316556
Energy: 1.2372900821470694
Energy: 1.3782744482370715
Energy: 1.2123835519670763
Energy: 1.1961336218580283
Energy: 1.2123835519670763

minimum gb energy = 1.1956683411935551 eV
minimum distance =  2.25201548904266 Angstroms
sigma value = 7


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

Energy: 1.5313422796037317
Energy: 1.359135968050969
Energy: 1.4350457231472267
Energy: 1.359135968050969
Energy: 1.4820319928787282
Energy: 1.2675064403603746
Energy: 1.2734088096834384
Energy: 1.2675064403603746
Energy: 1.262460151104924
Energy: 1.2314065605030164
Energy: 1.2326033416678752
Energy: 1.2314065605030164
Energy: 1.2675174023041718
Energy: 1.1894204782774487
Energy: 1.2318848433544112
Energy: 1.1894204782774487
Energy: 1.348417354616084
Energy: 1.2315589802068168
Energy: 1.1889566408035466
Energy: 1.2315589802068168
Energy: 1.7595136101163127
Energy: 1.1893659210199514
Energy: 1.1914835545900495
Energy: 1.1893659210199514
Energy: 1.2342745692257189
Energy: 1.2749624712747765
Energy: 1.5452481796143496
Energy: 1.2749624712747765
Energy: 1.19134905505662
Energy: 1.189560956085856
Energy: 1.3420801119025032
Energy: 1.1895609560845615
Energy: 1.5762771092266654
Energy: 1.2318759865913478
Energy: 1.2314154290024124
Energy: 1.2318759865913478
Energy: 1.2315998797667584
Energy: 1.1896222643615217
Energy: 1.2678302981411311
Energy: 1.1896222643615217
Energy: 1.2313104867849205
Energy: 1.2319430165889018
Energy: 1.3250747337870965
Energy: 1.2319430165889018
Energy: 1.6824497169994574
Energy: 1.1894077948205835
Energy: 1.4599589369672543
Energy: 1.1894077948205835
Energy: 1.6671226843537288
Energy: 1.1893757640667615
Energy: 1.4632907058564955
Energy: 1.1893757640680562
Energy: 1.2318201228756984
Energy: 1.2321219230001392
Energy: 1.6079956407047384
Energy: 1.2321219230001392
Energy: 1.2314659776342527
Energy: 1.1890924867780885
Energy: 1.262432491237054
Energy: 1.1890924867780885
Energy: 1.5761835234987658
Energy: 1.3252040632914839
Energy: 1.270850543071647
Energy: 1.3252040632914839
Energy: 1.1889488826288501
Energy: 1.1894196083773303
Energy: 1.3423077116145343
Energy: 1.1894196083773303
Energy: 1.1891128433474785
Energy: 1.231555196993991
Energy: 1.594105792433539
Energy: 1.231555196993991
Energy: 1.7763809439467955
Energy: 1.1890902891380914
Energy: 1.1889649194246363
Energy: 1.1890902891380914
Energy: 1.342388377757474
Energy: 1.2315837672393346
Energy: 1.1889758021918324
Energy: 1.2315837672393346
Energy: 1.2625755999551282
Energy: 1.270642400541153
Energy: 1.3502132822644304
Energy: 1.270642400541153
Energy: 1.2623992514072244
Energy: 1.2316287656674227
Energy: 1.2363653199434368
Energy: 1.2316287656674227
Energy: 1.4819741584914234
Energy: 1.263676565944419
Energy: 1.2722360504185926
Energy: 1.263676565944419
Energy: 1.4616598192223562
Energy: 1.1895238698580184
Energy: 1.6666160937682126
Energy: 1.1895238698567532
Energy: 1.459602949957078
Energy: 1.189888776944556
Energy: 1.2648292027279797
Energy: 1.189888776944556
Energy: 1.324372669598944
Energy: 1.2314482289470612
Energy: 1.2363785175599173
Energy: 1.2314482289470612
Energy: 1.2639661924734464
Energy: 1.1895204646470903
Energy: 1.2318802442629537
Energy: 1.1895204646470903
Energy: 1.342508393190949
Energy: 1.2316914618903338
Energy: 1.5134954718383282
Energy: 1.2316914618903338
Energy: 1.3419602994263493
Energy: 1.1890203396484231
Energy: 1.1889511748285095
Energy: 1.1890203396484231
Energy: 1.5501544832055754
Energy: 1.2962053974738594
Energy: 1.550157985343123
Energy: 1.2962053974738594
Energy: 1.188944404022068
Energy: 1.1890908670677944
Energy: 1.3419602994263493
Energy: 1.1890908670677944

minimum gb energy = 1.188944404022068 eV
minimum distance =  2.27345898968507 Angstroms
sigma value = 29


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

Energy: 1.0639212610248325
Energy: 1.150588303333119
Energy: 1.4424075701580104
Energy: 1.150588303332668
Energy: 1.536523123169403
Energy: 1.1426916003151484
Energy: 1.1486343014829645
Energy: 1.1426916003151484
Energy: 1.4432552042822084
Energy: 1.1156501806115393
Energy: 1.1168475793120993
Energy: 1.1156501806115393
Energy: 1.5843743868538218
Energy: 1.1506994670976032
Energy: 1.1160377540668516
Energy: 1.1506994670976032
Energy: 1.613872632910802
Energy: 1.1162179258491582
Energy: 1.1155265219154022
Energy: 1.1162179258491582
Energy: 1.3750734502011648
Energy: 1.1166438666117935
Energy: 1.1154248644642037
Energy: 1.1166438666122191
Energy: 1.2789224590414814
Energy: 1.11572535202492
Energy: 1.422773791456597
Energy: 1.11572535202492
Energy: 1.0630739229699029
Energy: 1.1171115375478005
Energy: 1.7653820341697999
Energy: 1.1171115375482266
Energy: 1.5709477367095412
Energy: 1.1488266589511558
Energy: 1.149049134322805
Energy: 1.1488266589515819

minimum gb energy = 1.0630739229699029 eV
minimum distance =  2.32820988931208 Angstroms
sigma value = 5


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

Energy: 1.3253057047622845
Energy: 1.1948401222484724
Energy: 1.776867630295271
Energy: 1.1948401222484724
Energy: 1.316689185001943
Energy: 1.1659069189278246
Energy: 1.2787205142311204
Energy: 1.1659069189278246
Energy: 1.218113799318338
Energy: 1.2227027708232376
Energy: 1.2267019756297353
Energy: 1.2227027708232376
Energy: 1.218013634358598
Energy: 1.2268360285932376
Energy: 1.3263768654187462
Energy: 1.2268360285932376
Energy: 1.155850485449906
Energy: 1.2206248710179204
Energy: 1.1964924598146027
Energy: 1.2206248710191432
Energy: 1.2950873963332623
Energy: 1.249334047745082
Energy: 1.1935878792881012
Energy: 1.2493340477438593
Energy: 1.306158986001281
Energy: 1.2070378934492108
Energy: 1.3448526836546675
Energy: 1.2070378934504338
Energy: 1.3089771041914648
Energy: 1.2073360001491598
Energy: 1.46502744515402
Energy: 1.2073360001491598
Energy: 1.495061176318169
Energy: 1.1844941614853781
Energy: 1.2998449583590264
Energy: 1.1844941614853781
Energy: 1.4111507383340605
Energy: 1.184604395175157
Energy: 1.3023210135851992
Energy: 1.184604395175157
Energy: 1.2277654929375705
Energy: 1.2233570354477386
Energy: 1.256290645439068
Energy: 1.2233570354477386
Energy: 1.2283221965091946
Energy: 1.2224953045205158
Energy: 1.1830806770696756
Energy: 1.2224953045205158
Energy: 1.333776626978775
Energy: 1.2652027410182458
Energy: 1.1814434437292027
Energy: 1.2652027410182458
Energy: 1.181568939068116
Energy: 1.22093227811777
Energy: 1.1814988276910419
Energy: 1.2209322781189933
Energy: 1.2029748966393932
Energy: 1.3864926867610137
Energy: 1.4221660009636905
Energy: 1.3864926867610137
Energy: 1.539396120909158
Energy: 1.2068469603392344
Energy: 1.2988013062338848
Energy: 1.2068469603404575
Energy: 1.3445798668451305
Energy: 1.186038778448945
Energy: 1.4230584364018757
Energy: 1.186038778448945
Energy: 1.2094396811375985
Energy: 1.208992066368685
Energy: 1.4708772592167396
Energy: 1.208992066368685
Energy: 1.307349377909234
Energy: 1.2004257645582639
Energy: 1.1841558710174065
Energy: 1.2004257645582639
Energy: 1.2180638764421747
Energy: 1.233375891603148
Energy: 1.19657312046006
Energy: 1.233375891603148
Energy: 1.2192654419390971
Energy: 1.2266029341594036
Energy: 1.2557441018302795
Energy: 1.2266029341594036
Energy: 1.309606764014248
Energy: 1.2204759912383127
Energy: 1.2136751005283941
Energy: 1.2204759912383127
Energy: 1.2180884540957875
Energy: 1.22223762994862
Energy: 1.2142676323241128
Energy: 1.222237629947397
Energy: 1.4295588662309813
Energy: 1.182560466865481
Energy: 1.3671318849936935
Energy: 1.182560466865481
Energy: 1.4266837827590229
Energy: 1.1829608379842853
Energy: 1.6575628772406503
Energy: 1.1829608379842853
Energy: 1.3345635764917092
Energy: 1.220607508879913
Energy: 1.2138011291016342
Energy: 1.220607508879913
Energy: 1.2647058364024468
Energy: 1.2214631940656728
Energy: 1.214247551678493
Energy: 1.2214631940656728
Energy: 1.264198597481044
Energy: 1.2275626544079645
Energy: 1.3684610014276544
Energy: 1.2275626544079645
Energy: 1.2198660628129256
Energy: 1.2229881911643334
Energy: 1.1941272349204686
Energy: 1.2229881911643334
Energy: 1.3483628534202345
Energy: 1.3241933879728012
Energy: 1.2564983530117573
Energy: 1.3241933879728012
Energy: 1.2562297258649158
Energy: 1.2096479983073494
Energy: 1.3418974382420048
Energy: 1.2096479983073494
Energy: 1.3061446474057883
Energy: 1.17207837053441
Energy: 1.3073306391790316
Energy: 1.17207837053441
Energy: 1.6548869313863819
Energy: 1.1867737176192994
Energy: 1.2984610262631306
Energy: 1.1867737176192994

minimum gb energy = 1.155850485449906 eV
minimum distance =  2.24255304879666 Angstroms
sigma value = 1


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

Energy: 1.1984192271738117
Energy: 1.147809787212552
Energy: 1.4955775620835337
Energy: 1.147809787212552
Energy: 1.1416446385789638
Energy: 1.153061855766012
Energy: 1.2022157774014757
Energy: 1.153061855766012
Energy: 1.3222110999033174
Energy: 1.199976490146383
Energy: 1.2660997190057073
Energy: 1.199976490146383
Energy: 1.2012659682467313
Energy: 1.1998430902192
Energy: 1.2347013054988263
Energy: 1.1998430902192
Energy: 1.144819716659875
Energy: 1.1476864699019216
Energy: 1.1440634916127281
Energy: 1.1476864699019216
Energy: 1.1444664845348216
Energy: 1.2015787798125641
Energy: 1.1441695232440314
Energy: 1.2015787798125641
Energy: 1.2389824738736248
Energy: 1.2004921271788684
Energy: 1.3213851763554534
Energy: 1.2004921271788684
Energy: 1.23807795327802
Energy: 1.20029071296133
Energy: 1.3230971666230518
Energy: 1.2002907129630211
Energy: 1.4245670018041119
Energy: 1.1478853965601439
Energy: 1.1717735086518537
Energy: 1.1478853965601439
Energy: 1.4245670018041119
Energy: 1.1477170467442126
Energy: 1.1717804548528057
Energy: 1.1477170467442126
Energy: 1.2380763263193226
Energy: 1.200267283801188
Energy: 1.3230971666230518
Energy: 1.200267283801188
Energy: 1.2388229083245206
Energy: 1.2004831155550175
Energy: 1.3213851763571443
Energy: 1.2004831155550175
Energy: 1.1445474831021234
Energy: 1.2015727954590296
Energy: 1.1441902245558202
Energy: 1.2015727954590296
Energy: 1.1448147367612465
Energy: 1.1476128168183786
Energy: 1.1440327973784414
Energy: 1.1476128168183786
Energy: 1.2012623351823015
Energy: 1.1998464187605358
Energy: 1.2347349619123886
Energy: 1.1998464187605358
Energy: 1.3222110999033174
Energy: 1.1999731615712277
Energy: 1.266033471777766
Energy: 1.1999731615712277
Energy: 1.1416280865516855
Energy: 1.154778995283764
Energy: 1.20221284909282
Energy: 1.154778995283764
Energy: 1.1984192271738117
Energy: 1.147809787212552
Energy: 1.4955775627291832
Energy: 1.147809787212552
Energy: 1.1416446385789638
Energy: 1.153061855766012
Energy: 1.2022157774014757
Energy: 1.153061855766012
Energy: 1.3222110999033174
Energy: 1.199976490146383
Energy: 1.2660997190057073
Energy: 1.199976490146383
Energy: 1.2012659682467313
Energy: 1.1998430902192
Energy: 1.2347013054988263
Energy: 1.1998430902192
Energy: 1.144819716659875
Energy: 1.1476864699002303
Energy: 1.1440634916127281
Energy: 1.1476864699019216
Energy: 1.1444664845348216
Energy: 1.2015787798125641
Energy: 1.1441695232440314
Energy: 1.2015787798125641
Energy: 1.2389824738736248
Energy: 1.2004921271788684
Energy: 1.3213851763554534
Energy: 1.2004921271788684

minimum gb energy = 1.1416280865516855 eV
minimum distance =  2.26202389169997 Angstroms
sigma value = 17


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

Energy: 1.379267916545132
Energy: 1.1804216292805405
Energy: 1.7263255686213168
Energy: 1.1804216292805405
Energy: 1.2519354758601131
Energy: 1.1831319456970766
Energy: 1.2598101960787687
Energy: 1.1831319456970766
Energy: 1.1942852565356397
Energy: 1.183773032281194
Energy: 1.2029624342215355
Energy: 1.183773032281194
Energy: 1.184860645807053
Energy: 1.1890858775314166
Energy: 1.3427169595578956
Energy: 1.1890858775303714
Energy: 1.1921308367067984
Energy: 1.1792876733205866
Energy: 1.2018810717370316
Energy: 1.1792876733205866
Energy: 1.225380765022572
Energy: 1.205839407363704
Energy: 1.2021996880160692
Energy: 1.205839407363704
Energy: 1.1931193333547192
Energy: 1.1904994011095311
Energy: 1.168829402982819
Energy: 1.1904994011105763
Energy: 1.1919333529095713
Energy: 1.190375788314644
Energy: 1.2060170358413609
Energy: 1.190375788314644
Energy: 1.4083561630752544
Energy: 1.1684633442619035
Energy: 1.355205934276973
Energy: 1.1684633442619035
Energy: 1.445337337539321
Energy: 1.1685792164974744
Energy: 1.3533438317722934
Energy: 1.1685792164974744
Energy: 1.2494510689612677
Energy: 1.1716348476163332
Energy: 1.206075566679478
Energy: 1.1716348476163332
Energy: 1.2470829464563644
Energy: 1.1715240702975953
Energy: 1.2062779808367938
Energy: 1.1715240702975953
Energy: 1.2285020110177851
Energy: 1.1948511284068035
Energy: 1.206343308038724
Energy: 1.1948511284068035
Energy: 1.1826400361148268
Energy: 1.1794411653086423
Energy: 1.2053446028186667
Energy: 1.1794411653086423
Energy: 1.1824930763279924
Energy: 1.2134878766697832
Energy: 1.2109454734030016
Energy: 1.2134878766697832
Energy: 1.18583704004695
Energy: 1.1902840285722178
Energy: 1.1767307834218097
Energy: 1.1902840285722178
Energy: 1.3406644533681602
Energy: 1.1691987935664094
Energy: 1.2294911559264698
Energy: 1.1691987935664094
Energy: 1.244498378623685
Energy: 1.1817313018412987
Energy: 1.4211458406152828
Energy: 1.1817313018402535
Energy: 1.2437274699791703
Energy: 1.1590815334906297
Energy: 1.3181621821935088
Energy: 1.159081533491675
Energy: 1.5440948780666754
Energy: 1.176216644295488
Energy: 1.2467414875149148
Energy: 1.176216644296533
Energy: 1.2630381331021756
Energy: 1.2858798472495883
Energy: 1.31336963921191
Energy: 1.2858798472495883
Energy: 1.1923873827245277
Energy: 1.1794872026376284
Energy: 1.1756503499554047
Energy: 1.1794872026376284
Energy: 1.2884180143116946
Energy: 1.2051411899523434
Energy: 1.2394491442863835
Energy: 1.2051411899523434
Energy: 1.1818728670152505
Energy: 1.1905674620706777
Energy: 1.1631305466965618
Energy: 1.1905674620706777
Energy: 1.1837802240913862
Energy: 1.2138795633316253
Energy: 1.2534779086428565
Energy: 1.2138795633316253
Energy: 1.1959185632521419
Energy: 1.1797416772729454
Energy: 1.190593000976694
Energy: 1.1797416772729454
Energy: 1.2916595728784372
Energy: 1.1798408065315236
Energy: 1.2507054805568745
Energy: 1.1798408065315236
Energy: 1.3470111470795392
Energy: 1.1517718296000143
Energy: 1.4585152183408172
Energy: 1.1517718296000143
Energy: 1.3513666458440214
Energy: 1.152693962963527
Energy: 1.25364113996463
Energy: 1.152693962963527
Energy: 1.1943279129158917
Energy: 1.1800453412460548
Energy: 1.190618553725345
Energy: 1.1800453412460548
Energy: 1.1972899840814726
Energy: 1.1801002718705988
Energy: 1.2507609704450884
Energy: 1.1801002718695537
Energy: 1.1815176462613026
Energy: 1.2127237848524066
Energy: 1.2090856691535163
Energy: 1.2127237848524066
Energy: 1.1836922877670253
Energy: 1.190962639087514
Energy: 1.161121813251735
Energy: 1.190962639087514
Energy: 1.2651233390776617
Energy: 1.1938419359163437
Energy: 1.1756884358992736
Energy: 1.1938419359163437
Energy: 1.1919710794545024
Energy: 1.180102493502545
Energy: 1.2131567851270053
Energy: 1.18010249350359
Energy: 1.1827701429616209
Energy: 1.1570501682993601
Energy: 1.335436100065376
Energy: 1.1570501682993601
Energy: 1.5946052851870716
Energy: 1.1715364851170933
Energy: 1.2463490052634396
Energy: 1.1715364851170933
Energy: 1.3416601340945253
Energy: 1.1583174324015504
Energy: 1.257564603143129
Energy: 1.1583174324015504

minimum gb energy = 1.1517718296000143 eV
minimum distance =  2.25627578939814 Angstroms
sigma value = 89


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

Energy: 1.2784350674283593
Energy: 1.1016986103820565
Energy: 1.465476551407618
Energy: 1.1016986103823363
Energy: 1.1763941621071476
Energy: 1.1180001092788747
Energy: 1.2257533473876918
Energy: 1.1180001092788747
Energy: 1.2772498543533317
Energy: 1.0934661355008162
Energy: 1.1092123575717943
Energy: 1.0934661355008162
Energy: 1.1534827192534776
Energy: 1.1528277429383513
Energy: 1.2991424699961514
Energy: 1.1528277429383513
Energy: 1.166942592178142
Energy: 1.1414821642108612
Energy: 1.1358774097462871
Energy: 1.1414821642108612
Energy: 1.145909613912147
Energy: 1.2915010428962554
Energy: 1.1361127986414141
Energy: 1.2915010428962554
Energy: 1.1484462795014436
Energy: 1.0934055597636598
Energy: 1.1358413764491375
Energy: 1.0934055597636598
Energy: 1.147144421470283
Energy: 1.1499845307262593
Energy: 1.2943141754852183
Energy: 1.1499845307262593
Energy: 1.2787992043876364
Energy: 1.1415760273237932
Energy: 1.0906675120934357
Energy: 1.1415760273237932
Energy: 1.1460658796131997
Energy: 1.142356095292648
Energy: 1.0904754563515746
Energy: 1.142356095292648
Energy: 1.2256951683396102
Energy: 1.0935603098139137
Energy: 1.2942841956139566
Energy: 1.0935603098139137
Energy: 1.2268745547522726
Energy: 1.0943375452616426
Energy: 1.2941340374367594
Energy: 1.0943375452616426
Energy: 1.2778235318193782
Energy: 1.1417700320124524
Energy: 1.0905426100824627
Energy: 1.1417700320124524
Energy: 1.277089500436574
Energy: 1.1425864266937569
Energy: 1.0902733744135003
Energy: 1.1425864266937569
Energy: 1.148176877182342
Energy: 1.1416494953973482
Energy: 1.207109892920087
Energy: 1.1416494953975969

minimum gb energy = 1.0902733744135003 eV
minimum distance =  2.25920157242765 Angstroms
sigma value = 13


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

Energy: 1.1622499269743427
Energy: 1.0721490185096745
Energy: 1.425396607079173
Energy: 1.0721490185096745
Energy: 1.2384366751634983
Energy: 1.0694408030805589
Energy: 1.1035539255379863
Energy: 1.069440803081705
Energy: 1.1814821850398334
Energy: 1.051399461271704
Energy: 1.1516360674778119
Energy: 1.051399461271704
Energy: 1.1355170752214334
Energy: 1.07001459475335
Energy: 1.1035236457361304
Energy: 1.07001459475335
Energy: 1.0802089028877782
Energy: 1.0758449742484024
Energy: 1.1097789322778535
Energy: 1.0758449742484024
Energy: 1.2011095678988473
Energy: 1.0762767859581892
Energy: 1.1387715266174967
Energy: 1.0762767859581892
Energy: 1.1021977338101872
Energy: 1.0516963251996507
Energy: 1.11056822378123
Energy: 1.0516963251996507
Energy: 1.105365943000389
Energy: 1.094552791470297
Energy: 1.10117005882452
Energy: 1.094552791470297
Energy: 1.1036965736466056
Energy: 1.075714562394206
Energy: 1.0723272303246276
Energy: 1.075714562394206
Energy: 1.2355230409854046
Energy: 1.076349521955349
Energy: 1.1603447210924163
Energy: 1.076349521955349
Energy: 1.1346960155790922
Energy: 1.0515011724356984
Energy: 1.175866390108022
Energy: 1.0515011724345522
Energy: 1.1275725291212804
Energy: 1.0522948475779486
Energy: 1.1011300907519455
Energy: 1.0522948475779486
Energy: 1.1805925140896938
Energy: 1.0676787133598857
Energy: 1.1389476890489965
Energy: 1.0676787133587393
Energy: 1.17441611820851
Energy: 1.069524565033562
Energy: 1.2634339458909993
Energy: 1.0695245650347083
Energy: 1.1349726844018289
Energy: 1.0514577487332712
Energy: 1.1744533323242425
Energy: 1.0514577487332712
Energy: 1.127832996834289
Energy: 1.0522353397830546
Energy: 1.1817567353965257
Energy: 1.0522353397830546
Energy: 1.1818959012556294
Energy: 1.0759526095367742
Energy: 1.0720245283132137
Energy: 1.0759526095367742
Energy: 1.10947009495284
Energy: 1.076137222829809
Energy: 1.1608400591735526
Energy: 1.076137222829809
Energy: 1.1019837783230368
Energy: 1.0519612581586464
Energy: 1.1065796979929665
Energy: 1.0519612581597924
Energy: 1.1065822763876805
Energy: 1.052114746293833
Energy: 1.1019740611108528
Energy: 1.052114746293833
Energy: 1.1608489598120433
Energy: 1.0759117038873554
Energy: 1.109460717337592
Energy: 1.0759117038873554
Energy: 1.0722332222893198
Energy: 1.075955870068773
Energy: 1.1818959012556294
Energy: 1.075955870068773
Energy: 1.181756735397672
Energy: 1.0522234782704207
Energy: 1.127833368980644
Energy: 1.0522234782704207
Energy: 1.1744533323230963
Energy: 1.0514518959516008
Energy: 1.1346654103353564
Energy: 1.0514518959516008
Energy: 1.2633871752180847
Energy: 1.0697207313193555
Energy: 1.1744141446896108
Energy: 1.0697207313193555
Energy: 1.13896951467568
Energy: 1.0676506603866762
Energy: 1.1805925140908398
Energy: 1.0676506603866762
Energy: 1.101214830240359
Energy: 1.0523003861765856
Energy: 1.1275654004879294
Energy: 1.0523003861765856
Energy: 1.175866390108022
Energy: 1.0514923848124802
Energy: 1.1346645225357652
Energy: 1.0514923848124802
Energy: 1.1603415373681454
Energy: 1.0763595698532669
Energy: 1.2353675126779609
Energy: 1.0763595698532669
Energy: 1.07232040300926
Energy: 1.075707836563769
Energy: 1.1037106042583384
Energy: 1.075707836563769
Energy: 1.1011741939817394
Energy: 1.0945549520121642
Energy: 1.1053581349473631
Energy: 1.0945549520121642
Energy: 1.1105619945557024
Energy: 1.0516780044541194
Energy: 1.102207259315837
Energy: 1.0516780044541194
Energy: 1.1387927152475246
Energy: 1.0761460878840317
Energy: 1.2010291005039955
Energy: 1.0761460878840317
Energy: 1.1097770478703504
Energy: 1.0758228237744611
Energy: 1.080197200030585
Energy: 1.0758228237744611
Energy: 1.1036707865813618
Energy: 1.0700148932517628
Energy: 1.1357271618911633
Energy: 1.0700148932517628

minimum gb energy = 1.051399461271704 eV
minimum distance =  2.28007186562263 Angstroms
sigma value = 37


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

Energy: 1.153332577043267
Energy: 0.9994301476757543
Energy: 1.3677774592103533
Energy: 0.9994301476757543
Energy: 1.1781599607949393
Energy: 1.0173537245595583
Energy: 1.0730110931595216
Energy: 1.0173537245597375
Energy: 1.167295603143196
Energy: 0.9804116809288705
Energy: 1.107055260890439
Energy: 0.9804116809288705
Energy: 1.1085828044654256
Energy: 1.02904466074333
Energy: 1.0729047963687208
Energy: 1.02904466074333
Energy: 1.071003645431874
Energy: 0.9789503021600993
Energy: 1.1636590902623836
Energy: 0.9789503021603009
Energy: 1.1535529656140378
Energy: 1.0155119438943796
Energy: 1.094172377051283
Energy: 1.0155119438941778
Energy: 1.0652801866554344
Energy: 0.9805851634195001
Energy: 1.064873272846084
Energy: 0.9805851634195001
Energy: 1.0645789781654613
Energy: 1.1051999477553915
Energy: 1.0899251623911177
Energy: 1.10519994775519
Energy: 1.071947495279433
Energy: 0.9790236043203022
Energy: 1.0899448163757857
Energy: 0.9790236043203022
Energy: 1.152620102559771
Energy: 1.0154201485160472
Energy: 1.0904982469828055
Energy: 1.0154201485160472
Energy: 1.0449966274081834
Energy: 0.9804044604697238
Energy: 1.1130479668768933
Energy: 0.9804044604697238
Energy: 1.0539631740330344
Energy: 1.0167285546718023
Energy: 1.090494681670917
Energy: 1.0167285546718023
Energy: 1.1674325673920996
Energy: 0.979043479467324
Energy: 1.1028054151069075
Energy: 0.979043479467324
Energy: 1.0350850088763275
Energy: 0.9808830256387049
Energy: 1.1035238496679836
Energy: 0.9808830256387049
Energy: 1.108091105952869
Energy: 0.9983030123198742
Energy: 1.162023840646791
Energy: 0.9983030123200759
Energy: 1.0252707385394946
Energy: 1.0060427361959945
Energy: 1.0800526371185344
Energy: 1.0060427361957929
Energy: 1.1671682443602682
Energy: 0.9791053840589045
Energy: 1.10292166563426
Energy: 0.9791053840587027
Energy: 1.1082341621033072
Energy: 0.9808273708740372
Energy: 1.1041905760387394
Energy: 0.9808273708740372
Energy: 1.0450806837539204
Energy: 0.9803622033326258
Energy: 1.1619952139382332
Energy: 0.9803622033326258
Energy: 1.0451679308970683
Energy: 1.0162673541767837
Energy: 1.1633820629023475
Energy: 1.0162673541769853

minimum gb energy = 0.9789503021600993 eV
minimum distance =  2.27079098182304 Angstroms
sigma value = 25


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

Energy: 1.0592636126316066
Energy: 0.913063117378514
Energy: 1.2111616246683583
Energy: 0.913063117378514
Energy: 0.9651139041215391
Energy: 0.9388912001907815
Energy: 0.9996421474116254
Energy: 0.9388912001907815
Energy: 1.0430132463450326
Energy: 0.8978900366993828
Energy: 1.0601178093268968
Energy: 0.8978900366993828
Energy: 1.0097708114581994
Energy: 0.9537535361099081
Energy: 0.9979808447528048
Energy: 0.9537535361083681
Energy: 1.0150918496296932
Energy: 0.8895014745113422
Energy: 1.0358931174411978
Energy: 0.8895014745113422
Energy: 1.0101357871561185
Energy: 0.9071389992891074
Energy: 1.035239027125268
Energy: 0.9071389992891074
Energy: 0.9825612684667004
Energy: 0.8893504592960809
Energy: 1.015117106882409
Energy: 0.8893504592960809
Energy: 1.0145334809684474
Energy: 0.9091148912274726
Energy: 1.0361421258359502
Energy: 0.9091148912274726
Energy: 0.9836842890338374
Energy: 0.8896512007070704
Energy: 1.0027812969718652
Energy: 0.8896512007086104
Energy: 1.0302270452192026
Energy: 0.9557561875801952
Energy: 1.0131340572587815
Energy: 0.9557561875801952
Energy: 0.976451773453702
Energy: 0.8892503040190267
Energy: 1.01046850276772
Energy: 0.8892503040190267
Energy: 1.0118519161372166
Energy: 0.9092383669276759
Energy: 1.0349896457645602
Energy: 0.9092383669276759
Energy: 0.9856197047633977
Energy: 0.8895460240950162
Energy: 0.9902167343219118
Energy: 0.8895460240950162
Energy: 1.054569187878232
Energy: 0.9087124802380756
Energy: 0.9813506864317775
Energy: 0.9087124802380756
Energy: 0.9662398491487026
Energy: 0.8893496509393034
Energy: 1.0386459903844758
Energy: 0.8893496509393034
Energy: 0.9875472347287348
Energy: 0.8893615811480167
Energy: 0.9657193043949326
Energy: 0.8893615811480167
Energy: 1.039859696779212
Energy: 0.8977512694005045
Energy: 0.9823150183096065
Energy: 0.8977512694005045
Energy: 0.9657259019732592
Energy: 0.9231503118292503
Energy: 0.9801399397564716
Energy: 0.9231503118292503
Energy: 0.9989377736127681
Energy: 0.9115822785206313
Energy: 1.0394193019030078
Energy: 0.9115822785221713
Energy: 1.004090336526764
Energy: 0.9123342950839826
Energy: 0.9984554198877323
Energy: 0.9123342950839826
Energy: 1.0395114048889238
Energy: 0.8978984702071001
Energy: 0.9828487568927209
Energy: 0.8978984702071001
Energy: 1.0218148974875962
Energy: 0.9061285182284154
Energy: 0.9799962955703488
Energy: 0.9061285182268758
Energy: 0.9670640507229308
Energy: 0.8894834701813896
Energy: 1.0390104616374742
Energy: 0.8894834701813896
Energy: 1.0097815834500912
Energy: 0.8890508180848217
Energy: 1.0246809198328062
Energy: 0.8890508180848217
Energy: 0.9856899076871233
Energy: 0.8898209342222411
Energy: 0.9903210252785909
Energy: 0.8898209342207012
Energy: 1.0533680587649885
Energy: 0.9083877876076868
Energy: 0.9813446234466581
Energy: 0.9083877876076868

minimum gb energy = 0.8890508180848217 eV
minimum distance =  2.27939290123961 Angstroms
sigma value = 41


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

Energy: 1.0028152074493022
Energy: 0.8476947738427754
Energy: 1.0948545506597454
Energy: 0.8476947738427754
Energy: 0.9004634123586618
Energy: 0.857275597219768
Energy: 0.947497378659808
Energy: 0.8572755972210303
Energy: 0.9490256076513996
Energy: 0.8287978049428117
Energy: 0.9672411074393551
Energy: 0.8287978049428117
Energy: 0.948736973948211
Energy: 0.8929453611435023
Energy: 0.9474136906718276
Energy: 0.8929453611435023
Energy: 0.959642152764393
Energy: 0.8195052052839766
Energy: 0.9430860944962189
Energy: 0.8195052052852392
Energy: 0.9487690606423957
Energy: 0.8348378433197565
Energy: 0.9346518786512733
Energy: 0.8348378433197565
Energy: 0.9595702102048231
Energy: 0.8153684880105893
Energy: 0.9561232474004976
Energy: 0.8153684880105893
Energy: 0.9505499176119706
Energy: 0.8383045916635001
Energy: 0.9343783255514403
Energy: 0.8383045916635001
Energy: 0.9582169596780924
Energy: 0.8154490523849915
Energy: 0.9274714461701052
Energy: 0.8154490523849915
Energy: 0.9505807901093853
Energy: 0.8661679022371294
Energy: 0.9476329013780828
Energy: 0.8661679022371294
Energy: 0.9438640861178195
Energy: 0.8154415865496005
Energy: 0.9334041908668887
Energy: 0.8154415865496005
Energy: 0.9387092731834894
Energy: 0.8540358249132166
Energy: 0.9477133407609307
Energy: 0.8540358249132166
Energy: 0.9502503931332529
Energy: 0.8154284049540813
Energy: 0.9269973981331466
Energy: 0.8154284049540813
Energy: 0.950375523301296
Energy: 0.8269141340506798
Energy: 0.9394474456438234
Energy: 0.8269141340506798
Energy: 0.9057164214405287
Energy: 0.815393606367393
Energy: 0.9313530079458697
Energy: 0.815393606367393
Energy: 0.9049631028661549
Energy: 0.8269215292075407
Energy: 0.9617117296475723
Energy: 0.8269215292075407
Energy: 0.9632759980354483
Energy: 0.8153773746874993
Energy: 0.8980652679215954
Energy: 0.8153773746874993
Energy: 0.9450156178201905
Energy: 0.8151748653589864
Energy: 0.9146924571978213
Energy: 0.8151748653589864
Energy: 0.9042045943393963
Energy: 0.8189262579175838
Energy: 0.9449653002537246
Energy: 0.8189262579175838
Energy: 0.9077128297129465
Energy: 0.8828900121243368
Energy: 0.9065755379214702
Energy: 0.8828900121243368
Energy: 0.9464020492672639
Energy: 0.8276664776546157
Energy: 0.9132873247819131
Energy: 0.8276664776546157
Energy: 0.9019804216889012
Energy: 0.8473980903118903
Energy: 0.9436243837295487
Energy: 0.8473980903118903
Energy: 0.9343860664559457
Energy: 0.8469942707325131
Energy: 0.9463538589826817
Energy: 0.8469942707325131
Energy: 0.9581304584672681
Energy: 0.8491812725893976
Energy: 0.9292664729469765
Energy: 0.8491812725893976
Energy: 0.9462436519398851
Energy: 0.8277584508478683
Energy: 0.9137237550452306
Energy: 0.8277584508478683
Energy: 0.9452285708996147
Energy: 0.8288121178578447
Energy: 0.9435859653878341
Energy: 0.8288121178565822
Energy: 0.9045276368117353
Energy: 0.8191776647386139
Energy: 0.9467321686777838
Energy: 0.8191776647373513
Energy: 0.9361992556509507
Energy: 0.8255455654528565
Energy: 0.9615316980159344
Energy: 0.8255455654528565
Energy: 0.957634046368605
Energy: 0.8154549448578855
Energy: 0.8981430667365581
Energy: 0.8154549448578855
Energy: 0.950615001112839
Energy: 0.8147153546211502
Energy: 0.9376728104640931
Energy: 0.8147153546211502
Energy: 0.9055344529522361
Energy: 0.8152077864017551
Energy: 0.9256832499929459
Energy: 0.8152077864030174
Energy: 0.9052112333684261
Energy: 0.8264896026061205
Energy: 0.9710853279224158
Energy: 0.8264896026061205

minimum gb energy = 0.8147153546211502 eV
minimum distance =  2.28653042916973 Angstroms
sigma value = 15


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

Energy: 0.9351674025373462
Energy: 0.7867446142604546
Energy: 1.0040191653166628
Energy: 0.7867446142604546
Energy: 0.8916169888928895
Energy: 0.8375380240661288
Energy: 0.8912951938595396
Energy: 0.8375380240661288
Energy: 0.8755653250343058
Energy: 0.777563465993048
Energy: 0.9123346795633911
Energy: 0.7775634659941176
Energy: 0.880932192630411
Energy: 0.7876868731415408
Energy: 0.8832809915733344
Energy: 0.7876868731404715
Energy: 0.8995996746946177
Energy: 0.7658104983215406
Energy: 0.8715291144192147
Energy: 0.7658104983215406
Energy: 0.880591656464284
Energy: 0.8231348385667376
Energy: 0.8821118354392271
Energy: 0.8231348385667376
Energy: 0.8849946419272217
Energy: 0.7564950527660385
Energy: 0.9112704471262006
Energy: 0.7564950527660385
Energy: 0.8746109105109398
Energy: 0.8234553175744858
Energy: 0.8821081132771817
Energy: 0.8234553175734164
Energy: 0.9038463057326599
Energy: 0.7548559054777304
Energy: 0.8640742771783326
Energy: 0.7548559054777304
Energy: 0.8746897452437441
Energy: 0.7694469454207271
Energy: 0.8852817977114849
Energy: 0.7694469454207271
Energy: 0.8773603353036039
Energy: 0.7546202925691126
Energy: 0.8837504806336132
Energy: 0.7546202925691126
Energy: 0.8838265046173416
Energy: 0.7870548195998004
Energy: 0.8851904125361915
Energy: 0.7870548195998004
Energy: 0.8853726788945883
Energy: 0.7548852986604572
Energy: 0.8661634935888958
Energy: 0.7548852986604572
Energy: 0.8837272378267212
Energy: 0.7794477204294831
Energy: 0.8791865979480086
Energy: 0.7794477204294831
Energy: 0.8803037198840964
Energy: 0.7549008123643589
Energy: 0.8684660774072069
Energy: 0.7549008123643589
Energy: 0.8896285375109556
Energy: 0.7794213646218414
Energy: 0.8851642535184707
Energy: 0.7794213646218414
Energy: 0.8806019447787438
Energy: 0.7548278777019625
Energy: 0.8781019462574255
Energy: 0.7548278777019625
Energy: 0.8893917380110883
Energy: 0.7623255091610648
Energy: 0.851792114572449
Energy: 0.7623255091599953
Energy: 0.8464982448158253
Energy: 0.754837695225615
Energy: 0.8677598763636236
Energy: 0.754837695225615
Energy: 0.8571601678265417
Energy: 0.7693325377460984
Energy: 0.8781829702263639
Energy: 0.7693325377471679
Energy: 0.8888698586742477
Energy: 0.756933116152237
Energy: 0.8548154050371475
Energy: 0.7569331161511677
Energy: 0.889676747014126
Energy: 0.8168002199194778
Energy: 0.8517075750725399
Energy: 0.8168002199194778
Energy: 0.8534851298426912
Energy: 0.7659225403790323
Energy: 0.8726743273545318
Energy: 0.7659225403790323
Energy: 0.8838288221569565
Energy: 0.8278756503359918
Energy: 0.8761145607574004
Energy: 0.8278756503359918
Energy: 0.8742175109651921
Energy: 0.7775405055266551
Energy: 0.8673494464178652
Energy: 0.7775405055266551
Energy: 0.8518561823243698
Energy: 0.8308765979417634
Energy: 0.8920394039176689
Energy: 0.8308765979417634
Energy: 0.8763190299347384
Energy: 0.7867473596223776
Energy: 0.8743922971416885
Energy: 0.7867473596213083
Energy: 0.891624991497565
Energy: 0.797275004766646
Energy: 0.8884523741760866
Energy: 0.797275004766646
Energy: 0.8805213997527754
Energy: 0.7776608745552731
Energy: 0.8672962116429391
Energy: 0.7776608745552731
Energy: 0.8900656096669112
Energy: 0.7759424434968427
Energy: 0.8914808059982537
Energy: 0.7759424434968427
Energy: 0.8541788519071555
Energy: 0.7661164948788951
Energy: 0.8737483960386069
Energy: 0.7661164948788951
Energy: 0.883551837033105
Energy: 0.7747607977965529
Energy: 0.878500844144834
Energy: 0.7747607977965529
Energy: 0.8838544335381782
Energy: 0.7570266069854394
Energy: 0.8546956906208163
Energy: 0.7570266069865088
Energy: 0.8892803140339163
Energy: 0.7608909490718958
Energy: 0.876277568434956
Energy: 0.7608909490708263
Energy: 0.8476374797368387
Energy: 0.754916158222535
Energy: 0.878150560167695
Energy: 0.754916158222535
Energy: 0.8781722768118346
Energy: 0.7689738727812788
Energy: 0.8854413446111514
Energy: 0.7689738727812788
Energy: 0.8733816964112404
Energy: 0.755065227023313
Energy: 0.8782143678235438
Energy: 0.755065227023313

minimum gb energy = 0.7546202925691126 eV
minimum distance =  2.29259702423624 Angstroms
sigma value = 85


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

Energy: 0.9142850567362071
Energy: 0.732856766787672
Energy: 0.8785658502755977
Energy: 0.7328567667885995
Energy: 0.7872491844977492
Energy: 0.7323320093754455
Energy: 0.8056186650582202
Energy: 0.732332009376373
Energy: 0.7886364276327822
Energy: 0.7315125438396807
Energy: 0.8792610444774486
Energy: 0.7315125438387531
Energy: 0.7931916886126097
Energy: 0.7305321376301387
Energy: 0.8054017428364777
Energy: 0.7305321376310663
Energy: 0.8643104911361448
Energy: 0.6991934177175243
Energy: 0.7905254293632021
Energy: 0.6991934177175243
Energy: 0.7931496485639541
Energy: 0.7333045552386644
Energy: 0.8007188506143709
Energy: 0.733304555237737
Energy: 0.807498656487526
Energy: 0.7007981032640519
Energy: 0.8449844077867762
Energy: 0.7007981032640519
Energy: 0.803302031637064
Energy: 0.7412920894280535
Energy: 0.8006090811078271
Energy: 0.7412920894289808
Energy: 0.8516843008164374
Energy: 0.6826525570756914
Energy: 0.8251773396396781
Energy: 0.6826525570756914
Energy: 0.8033707203653787
Energy: 0.6874837709995067
Energy: 0.8078164242160696
Energy: 0.6874837709995067
Energy: 0.7887104716689276
Energy: 0.6827105231731965
Energy: 0.8393431957834809
Energy: 0.6827105231731965
Energy: 0.8229617471334385
Energy: 0.6939186430119058
Energy: 0.8073367957320656
Energy: 0.6939186430119058
Energy: 0.8130238391149796
Energy: 0.6828119830890192
Energy: 0.8057909608633582
Energy: 0.6828119830890192
Energy: 0.8227813663051265
Energy: 0.7219914112657633
Energy: 0.8220272586620369
Energy: 0.7219914112657633
Energy: 0.7866784850783888
Energy: 0.6828960309792009
Energy: 0.816903564443139
Energy: 0.6828960309801285
Energy: 0.8174783366589179
Energy: 0.7205562233333801
Energy: 0.8217094647098212
Energy: 0.7205562233333801
Energy: 0.790411325291767
Energy: 0.682862457701967
Energy: 0.8064817620509859
Energy: 0.682862457701967
Energy: 0.8226755862640669
Energy: 0.7203367625815185
Energy: 0.8217730223300124
Energy: 0.7203367625815185
Energy: 0.8023692570674397
Energy: 0.6828719163979003
Energy: 0.8109316413641808
Energy: 0.6828719163988279
Energy: 0.7920268383069374
Energy: 0.6943090768983988
Energy: 0.8192971459117396
Energy: 0.6943090768983988
Energy: 0.7874257195755157
Energy: 0.682522897073843
Energy: 0.7823122610058281
Energy: 0.682522897073843
Energy: 0.8038126208792411
Energy: 0.6942342953762821
Energy: 0.8081530722528478
Energy: 0.6942342953762821
Energy: 0.7877179757966168
Energy: 0.6829748807852362
Energy: 0.8217192202772313
Energy: 0.6829748807852362
Energy: 0.8042158564738288
Energy: 0.7410212769347299
Energy: 0.7960825963563584
Energy: 0.7410212769347299
Energy: 0.8073746293599584
Energy: 0.7000197353295697
Energy: 0.7852583590240969
Energy: 0.7000197353286423
Energy: 0.7932142916937308
Energy: 0.7334055753707459
Energy: 0.800585555127232
Energy: 0.7334055753707459
Energy: 1.2261633355173718
Energy: 0.69914685404368
Energy: 0.7914065588813474
Energy: 0.69914685404368
Energy: 0.812102103890714
Energy: 0.7368967924660863
Energy: 0.7778656828732733
Energy: 0.7368967924660863
Energy: 0.7871382380027744
Energy: 0.7314561260166469
Energy: 0.800967237662218
Energy: 0.7314561260175745
Energy: 0.7846196470344737
Energy: 0.7325292722001672
Energy: 0.8055878339297212
Energy: 0.7325292722001672
Energy: 0.8348546202388264
Energy: 0.73285541817292
Energy: 0.7924492032127758
Energy: 0.73285541817292
Energy: 0.8311754630609633
Energy: 0.7004736349200444
Energy: 0.7860827964073441
Energy: 0.7004736349200444
Energy: 0.7872264236441462
Energy: 0.731465524172789
Energy: 0.8010452874544202
Energy: 0.731465524172789
Energy: 0.7931179838070307
Energy: 0.6814758487421255
Energy: 0.8054869475345766
Energy: 0.6814758487421255
Energy: 0.8040605001839242
Energy: 0.6991721798146192
Energy: 0.7924321588612483
Energy: 0.6991721798146192
Energy: 0.8119473288385064
Energy: 0.6806658153590789
Energy: 0.7959590648563356
Energy: 0.6806658153590789
Energy: 0.8069442608326889
Energy: 0.6999623078300016
Energy: 0.7851814143199884
Energy: 0.6999623078300016
Energy: 0.8039033456746824
Energy: 0.6801484118427725
Energy: 0.8006457667260571
Energy: 0.6801484118427725
Energy: 0.7872997703958923
Energy: 0.6825113259348501
Energy: 0.8220871860832518
Energy: 0.6825113259348501
Energy: 0.807114589998416
Energy: 0.6805927824476791
Energy: 0.8196208137644121
Energy: 0.6805927824476791
Energy: 0.7855100611957008
Energy: 0.682418337502205
Energy: 0.7823600278754376
Energy: 0.682418337502205
Energy: 0.822915881018382
Energy: 0.6942420766761183
Energy: 0.8073287079765203
Energy: 0.6942420766761183
Energy: 0.8022115345187261
Energy: 0.6806033337847809
Energy: 0.808512435379753
Energy: 0.6806033337847809

minimum gb energy = 0.6801484118427725 eV
minimum distance =  2.29530286698444 Angstroms
sigma value = 113


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

Energy: 0.01508096442323863
Energy: 0.01566838684801244
Energy: 1.385837880016008
Energy: 0.01566838684801244
Energy: 0.015974755095217123
Energy: 0.6827346014500351
Energy: 0.015974755095217123
Energy: 0.6827346014500351
Energy: 1.3858378800167213
Energy: 0.01566838684801244
Energy: 0.01508096442323863
Energy: 0.01566838684801244
Energy: 0.015974755095217123
Energy: 0.6827346014500351
Energy: 0.01597475509589057
Energy: 0.6827346014500351
Energy: 0.01508096442323863
Energy: 0.0156683868487255
Energy: 1.3858378800173947
Energy: 0.01566838684801244
Energy: 0.01597475509589057
Energy: 0.6827346014500351
Energy: 0.015974755095217123
Energy: 0.6827346014500351

minimum gb energy = 0.01508096442323863 eV
minimum distance =  2.44793695412449 Angstroms
sigma value = 1