Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6200000196695328
cohesive_energy=3.540278438731604
mass=63.546
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=[1.566521795186964e-19, 2.2398589560983397e-19, 2.75700953002086e-19, 3.1792952254442397e-19, 3.53485026406152e-19, 3.8396964122127e-19, 4.10407157858904e-19, 4.3350093186138e-19, 4.53763659751578e-19, 4.715830682749259e-19, 4.8726196881525e-19, 5.0104229004428395e-19, 5.1312109968801e-19, 5.23661819763096e-19, 5.328038396366999e-19, 5.40660913849836e-19, 5.47337183883714e-19, 5.52917565099936e-19, 5.57482166330202e-19, 5.61096676816506e-19, 5.638203770943059e-19, 5.657109455224259e-19, 5.668116408699839e-19, 5.67170528436e-19, 5.6678600604383995e-19, 5.65545921329124e-19, 5.63299669688256e-19, 5.5987261386813e-19, 5.550548687296919e-19, 5.485948925414039e-19, 5.40193078272708e-19, 5.2948733400432e-19, 5.16038663338524e-19, 4.9931193927956395e-19, 4.786502694075e-19, 4.53241350168894e-19, 4.22074208107692e-19, 3.83878317153132e-19, 3.37040285434776e-19, 2.7949971380129997e-19, 2.0857936509728998e-19, 1.2076983162363238e-19, 1.1396731007099518e-20, -1.2588173639207277e-19, -3.00262320801306e-19, -5.262974003260259e-19, -8.284839352647659e-19, -1.2507423936853678e-18, -1.8773504708895e-18, -2.88213952513626e-18, -4.65358612051836e-18, -8.14102797797982e-18, -1.5905079815745778e-17, -3.55281066412866e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013617062578172566
Energy: 0.097716102019912
Energy: 0.7104951462498573
Energy: 0.014051003150066863
Energy: 0.09771610201807031
Energy: 0.5902095300078616
Energy: 0.014051003150066863
Energy: 0.5902095298727569
Energy: 0.7104951462406836
Energy: 0.014051003150066863
Energy: 0.013617062578172566
Energy: 0.09771610201928652
Energy: 0.014051003150066863
Energy: 0.5902095299931975
Energy: 0.097716102019912
Energy: 0.5902095299394057

minimum gb energy = 0.013617062578172566 eV
minimum distance =  2.45375118330716 Angstroms
sigma value = 1


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

Energy: 1.2445945258465374
Energy: 0.87831814805515
Energy: 0.8795415137424506
Energy: 0.7796696179593194
Energy: 0.7876704567078672
Energy: 0.8680022800309394
Energy: 0.7872737665107489
Energy: 0.8680022800309394
Energy: 0.8797273126874633
Energy: 0.8787339352834849
Energy: 1.3559230592939406
Energy: 0.8787339352827264
Energy: 0.7906234990234858
Energy: 0.790061593043665
Energy: 0.7875546029043486
Energy: 0.7900615930444237
Energy: 1.1537149217593343
Energy: 0.7881059356864688
Energy: 0.7910449157065774
Energy: 0.7881059356857103
Energy: 0.8413064618590527
Energy: 0.9307398551549373
Energy: 0.8002940824184606
Energy: 0.9307398551549373
Energy: 0.8590622959232217
Energy: 0.8428996052923483
Energy: 1.1533004416152997
Energy: 0.8428996052900727
Energy: 0.8303987456343126
Energy: 0.9491112791903806
Energy: 0.8527691378150314
Energy: 0.9491112791903806
Energy: 0.9852449237467051
Energy: 0.8670048943211108
Energy: 0.8873492918679771
Energy: 0.8670048943211108
Energy: 0.852946122573938
Energy: 0.9425847805075298
Energy: 0.8342616313583039
Energy: 0.9425847805082883
Energy: 0.8313634764881086
Energy: 0.8663908609450852
Energy: 0.9860743005640173
Energy: 0.8663908609450852
Energy: 0.827328809215579
Energy: 0.9080266425771404
Energy: 0.8553882058461648
Energy: 0.908026642577899
Energy: 0.8549762449336378
Energy: 0.8483094398578076
Energy: 0.818419306023967
Energy: 0.8483094398578076
Energy: 0.837538466962555
Energy: 0.930206889847678
Energy: 0.8347293013542082
Energy: 0.930206889847678
Energy: 0.8169562183511831
Energy: 0.7875611124900572
Energy: 0.7880589933329262
Energy: 0.7875611124892985
Energy: 0.8142513317572683
Energy: 0.7900705944827947
Energy: 0.8004722911162236
Energy: 0.7900705944865875
Energy: 0.87849206438481
Energy: 0.7913237932502994
Energy: 0.7767155316873785
Energy: 0.7913237932472652
Energy: 0.7873745750293285
Energy: 0.7881869591168057
Energy: 0.7995285967722627
Energy: 0.7881869591160472
Energy: 0.7991383940687461
Energy: 0.8042526113508496
Energy: 0.8782350410161684
Energy: 0.8042526113508496
Energy: 0.8397166186572886
Energy: 0.8968544446310488
Energy: 0.8004053953789388
Energy: 0.8968544446310488
Energy: 0.7885351808911464
Energy: 0.7913075071404849
Energy: 1.1534985542770921
Energy: 0.7913075071412434
Energy: 0.800531945844618
Energy: 0.8806097082974388
Energy: 0.8390954772138187
Energy: 0.8806097082966802
Energy: 1.1534526041299442
Energy: 0.8449107678049022
Energy: 0.8207219474669696
Energy: 0.8449107678056608
Energy: 0.8534057373722357
Energy: 0.838197449788085
Energy: 0.827997968535283
Energy: 0.838197449788085
Energy: 0.8432221745663354
Energy: 0.8676636198715763
Energy: 0.985315155340422
Energy: 0.8676636198715763
Energy: 0.8356748029179928
Energy: 0.8748372556841214
Energy: 0.8543829184126114
Energy: 0.8748372556841214
Energy: 0.9866664802517627
Energy: 0.8664102313488434
Energy: 0.831118981312951
Energy: 0.8664102313488434
Energy: 0.8533449954341153
Energy: 0.8661286996675882
Energy: 0.828210279379832
Energy: 0.8661286996691053
Energy: 0.819820832610985
Energy: 0.8370445970877659
Energy: 0.8540333962443883
Energy: 0.8370445970862488
Energy: 0.83512093440129
Energy: 0.8454109649690296
Energy: 0.8376198862623617
Energy: 0.8454109649697881
Energy: 0.7873538420900326
Energy: 0.7881232350168111
Energy: 0.8170562779244247
Energy: 0.7881232350168111
Energy: 0.7869821426108381
Energy: 0.788237144431607
Energy: 0.8502450095813714
Energy: 0.7882371444293312
Energy: 0.8143977919943751
Energy: 0.7905215214096656
Energy: 0.8014942315930973
Energy: 0.7905215214089071

minimum gb energy = 0.7767155316873785 eV
minimum distance =  2.2575174149378 Angstroms
sigma value = 1


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

Energy: 1.4053124889772144
Energy: 0.9253782094987676
Energy: 0.9269152426835989
Energy: 0.8120178688084776
Energy: 0.8247062403938777
Energy: 0.824896502016044
Energy: 0.8241770139657789
Energy: 0.824896502016909
Energy: 0.9248374319486417
Energy: 0.9256353619818843
Energy: 1.2879235276050414
Energy: 0.9256353619810195
Energy: 0.834655721275514
Energy: 0.8240496805323595
Energy: 0.8245617093799713
Energy: 0.8240496805340892
Energy: 1.2879189881020578
Energy: 0.8241613599433337
Energy: 0.823927564715927
Energy: 0.8241613599424689
Energy: 0.8836919008208357
Energy: 0.8844975690169009
Energy: 0.837164549252658
Energy: 0.8844975690177659
Energy: 0.8657811372778568
Energy: 0.8895427798345343
Energy: 1.0732840454270305
Energy: 0.8895427798353992
Energy: 0.8655604893327093
Energy: 0.9714509344104238
Energy: 0.8969918398132647
Energy: 0.9714509344086939
Energy: 1.0759738973321418
Energy: 0.913574543774227
Energy: 0.9807833259665758
Energy: 0.913574543774227
Energy: 0.8973231586980811
Energy: 0.9646207356360381
Energy: 0.8663486570859155
Energy: 0.9646207356360381
Energy: 0.8578278707196566
Energy: 0.8908557976530264
Energy: 0.9096194539016007
Energy: 0.8908557976538911
Energy: 0.8774267265985094
Energy: 0.9524243928323317
Energy: 0.8851089036223153
Energy: 0.9524243928323317
Energy: 0.8249775215051045
Energy: 0.8237506429142814
Energy: 1.167317728614436
Energy: 0.8237506429134165
Energy: 0.8239833433446762
Energy: 0.8235550252658633
Energy: 0.8519077623999877
Energy: 0.8235550252649984
Energy: 0.8078501544594393
Energy: 0.83418760280753
Energy: 0.9263066203849608
Energy: 0.8341876028325732
Energy: 0.8411885757812153
Energy: 0.8238192314846872
Energy: 0.8239279453703106
Energy: 0.8238192314820925
Energy: 0.9258000160419623
Energy: 0.8454015243624952
Energy: 1.2876086061789704
Energy: 0.8454015243616301
Energy: 0.8362021627065803
Energy: 0.8352884642765348
Energy: 0.8808232071050482
Energy: 0.8352884642773996
Energy: 0.8774188867115944
Energy: 0.8284632888311181
Energy: 0.8244108376802878
Energy: 0.8284632888293882
Energy: 0.8830431491904066
Energy: 0.9269734168291891
Energy: 0.8376051840269509
Energy: 0.9269734168309189
Energy: 0.874333985769112
Energy: 0.8912513546009636
Energy: 1.0737447989793496
Energy: 0.8912513546000987
Energy: 0.8655895018001835
Energy: 0.892523886188802
Energy: 0.8980666581890843
Energy: 0.892523886188802
Energy: 1.0739222194007532
Energy: 0.9129810486778925
Energy: 0.869295552700073
Energy: 0.9129810486778925
Energy: 0.8975116251931761
Energy: 0.9130799395321644
Energy: 0.8679675801641955
Energy: 0.9130799395312994
Energy: 0.8580702532502902
Energy: 0.8842563885849942
Energy: 0.9086471712482511
Energy: 0.8842563885841292
Energy: 0.877325390310365
Energy: 0.8907941206864414
Energy: 0.8794466899901533
Energy: 0.8907941206864414
Energy: 0.8240672443390792
Energy: 0.8243924687514154
Energy: 0.8568657345836656
Energy: 0.8243924687505503
Energy: 0.8384925865912563
Energy: 0.8239519829310035
Energy: 0.8515579997432449
Energy: 0.8239519829327334
Energy: 0.8518553178211299
Energy: 0.8339922603003802
Energy: 0.8367749803676434
Energy: 0.8339922602986504

minimum gb energy = 0.8078501544594393 eV
minimum distance =  2.26170260488002 Angstroms
sigma value = 25


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

Energy: 1.3215294375968238
Energy: 0.9764392187778469
Energy: 0.9766750087919713
Energy: 0.8438830583518049
Energy: 0.8751956491471843
Energy: 0.872617074711043
Energy: 0.8629154018246545
Energy: 0.8726170747090323
Energy: 0.9762471229485118
Energy: 0.9766232773797784
Energy: 1.1961637581857674
Energy: 0.9766232773807838
Energy: 0.8703610351320308
Energy: 0.8714686884208991
Energy: 0.8743439265756121
Energy: 0.8714686694978784
Energy: 1.195688072246694
Energy: 0.8620744036826493
Energy: 0.8631377638979432
Energy: 0.8620744036826493
Energy: 0.9304452171470314
Energy: 1.0074652776170536
Energy: 0.8748880028041545
Energy: 1.0074652776180593
Energy: 0.9280465037921534
Energy: 0.9447150513134643
Energy: 0.9768231327108625
Energy: 0.9447150513144699
Energy: 0.901452223791477
Energy: 0.9973095860533179
Energy: 0.9432992266708673
Energy: 0.9973095860533179
Energy: 0.977866967171206
Energy: 0.9446558907261418
Energy: 0.8984194600367672
Energy: 0.9446558907261418
Energy: 0.9232693060963811
Energy: 0.9860264273013739
Energy: 0.9239100535401399
Energy: 0.9860264273013739
Energy: 0.8376126756741422
Energy: 0.8620823503319739
Energy: 0.8612330235023715
Energy: 0.8620823503319739
Energy: 0.8906950837303833
Energy: 0.8618561774685869
Energy: 0.8748643701712377
Energy: 0.8618561774645652
Energy: 0.9758813491516385
Energy: 0.87333517632243
Energy: 0.8372856690822355
Energy: 0.8733351763214244
Energy: 0.8748573280141424
Energy: 0.8738556763374075
Energy: 0.8858250003167817
Energy: 0.8738556763374075
Energy: 1.1936571618124086
Energy: 0.8620115715541905
Energy: 0.9774551698364115
Energy: 0.8620115714205127
Energy: 0.928780593259343
Energy: 0.8751905961227062
Energy: 0.8749190639981057
Energy: 0.8751905960151698
Energy: 0.8746533370020232
Energy: 0.872292307405318
Energy: 1.1961724429804255
Energy: 0.8722923074043127
Energy: 0.8620240601093216
Energy: 1.0083677055867692
Energy: 0.9303705059297296
Energy: 1.0083677055877744
Energy: 0.9768098899320868
Energy: 0.9685802316497886
Energy: 0.9315915184181212
Energy: 0.9685802316497886
Energy: 0.9446914193800596
Energy: 0.9446156744886263
Energy: 0.9033772539137501
Energy: 0.9446156744886263
Energy: 0.8985426494316302
Energy: 0.9447983777842578
Energy: 0.9771101594960249
Energy: 0.9447983777842578
Energy: 0.8983305061434467
Energy: 0.9447661634083878
Energy: 0.9230236584677457
Energy: 0.9447661634073824
Energy: 0.8613936055036554
Energy: 0.862574709985053
Energy: 0.8909019881566931
Energy: 0.8625747099830421
Energy: 0.8754242162912712
Energy: 0.8628896701580839
Energy: 0.890636736820064
Energy: 0.8628896704173503
Energy: 0.8900699280956335
Energy: 0.8735257581198049
Energy: 0.8759840590938097
Energy: 0.8735257581198049

minimum gb energy = 0.8372856690822355 eV
minimum distance =  2.25589138463289 Angstroms
sigma value = 9


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

Energy: 1.196438445628212
Energy: 1.0286639395960473
Energy: 1.0293421376961598
Energy: 0.8693922229742307
Energy: 0.9618060510284728
Energy: 0.9609046514825857
Energy: 0.9065521248101174
Energy: 0.9609046514837851
Energy: 1.028817167544297
Energy: 1.0291047059853715
Energy: 1.4302195250031446
Energy: 1.0291047059853715
Energy: 0.8961560349370026
Energy: 0.9100000697825522
Energy: 0.9066081864808092
Energy: 0.9100000704383338
Energy: 1.0678543521528983
Energy: 0.9017146176795223
Energy: 0.9121476769045667
Energy: 0.9017146176795223
Energy: 0.9621727014719931
Energy: 1.0219134263227665
Energy: 0.9067158253632549
Energy: 1.0219134263239658
Energy: 0.9394543481027241
Energy: 1.0128104875977555
Energy: 1.0707214283483106
Energy: 1.0128104875965565
Energy: 0.9622109178968054
Energy: 1.0026346562712385
Energy: 0.9627057010703752
Energy: 1.0026346562712385
Energy: 0.9005392602099646
Energy: 0.9018017108422323
Energy: 0.9848421685978452
Energy: 0.9018017108422323
Energy: 0.90652171904972
Energy: 0.9100271085754086
Energy: 0.9238877126177476
Energy: 0.9100271085742092
Energy: 1.197375479520911
Energy: 0.9128193346091714
Energy: 1.028367646769175
Energy: 0.9128193346091714
Energy: 0.9287792872346338
Energy: 0.9136577868651793
Energy: 0.9064361972882493
Energy: 0.9136577868651793
Energy: 1.030116503949409
Energy: 0.913272407073647
Energy: 0.8933249788236317
Energy: 0.913272407073647
Energy: 0.8959487978114031
Energy: 0.9127126045522315
Energy: 0.9577257096527585
Energy: 0.912712604551032
Energy: 1.068256418001685
Energy: 0.9130119797589674
Energy: 0.9147406499186271
Energy: 0.9130119797601667
Energy: 0.9618443200974871
Energy: 0.9109390266314858
Energy: 0.9142432044568626
Energy: 0.9109390266326851
Energy: 0.9561988831008589
Energy: 1.0184801425833316
Energy: 1.0701816802903645
Energy: 1.0184801425833316
Energy: 0.9563084879435326
Energy: 1.0030719569180808
Energy: 0.9626376019898346
Energy: 1.0030719569192803
Energy: 0.8994980424880394
Energy: 0.901401087876591
Energy: 0.9243782570450578
Energy: 0.9014010878753916
Energy: 0.9062119012461846
Energy: 0.9014488974222968
Energy: 0.9840968886806084
Energy: 0.9014488974222968
Energy: 0.8587077440348481
Energy: 0.9126006406685407
Energy: 0.8959519834679754
Energy: 0.9126006406697402

minimum gb energy = 0.8587077440348481 eV
minimum distance =  2.25855018808365 Angstroms
sigma value = 25


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

Energy: 1.0123315866523888
Energy: 1.0768324698453537
Energy: 1.0787931616481408
Energy: 0.8764955167845402
Energy: 0.9418961075964687
Energy: 0.9420376930069401
Energy: 0.8942471440453651
Energy: 0.9420376930069401
Energy: 1.0770541414393655
Energy: 1.0772837603177736
Energy: 1.2831164130313542
Energy: 1.0772837603177736
Energy: 0.8694445747331082
Energy: 0.9816252203281114
Energy: 0.8946544044036159
Energy: 0.9816252203281114
Energy: 0.9387886774342737
Energy: 0.9480687815468385
Energy: 0.9413225717632534
Energy: 0.9480687815483217
Energy: 0.8697371527926738
Energy: 1.0190659307752983
Energy: 0.8936553178812309
Energy: 1.0190659307752983
Energy: 0.8642694419021034
Energy: 0.9481063313378353
Energy: 0.9415208339156005
Energy: 0.9481063313378353
Energy: 0.8649954374745843
Energy: 0.9825071426771096
Energy: 0.9420837177735741
Energy: 0.9825071426771096
Energy: 0.8704178078653969
Energy: 0.869257983017428
Energy: 0.8650742918576396
Energy: 0.8692579831745917
Energy: 0.8950070608142516
Energy: 0.9381800775242832
Energy: 0.866391480744305
Energy: 0.9381800775257665
Energy: 0.9501267555461418
Energy: 0.8708403441062685
Energy: 1.0798642217686183
Energy: 0.8708403441062685
Energy: 0.8677078549093842
Energy: 0.9434138447895346
Energy: 0.869079737271702
Energy: 0.9434138447895346
Energy: 0.8960473911339656
Energy: 0.9855715170989492
Energy: 0.9391393878812904
Energy: 0.9855715170989492
Energy: 0.9402470628204759
Energy: 0.9485049772931831
Energy: 0.8711205543496765
Energy: 0.9485049772946663
Energy: 0.9403508167669236
Energy: 0.9731143003533588
Energy: 1.0025704340960682
Energy: 0.9731143003533588
Energy: 0.8934173374220528
Energy: 0.9477313197812541
Energy: 1.0058210007992612
Energy: 0.947731319779771
Energy: 0.8650519992781728
Energy: 0.8702358947018106
Energy: 0.8709251336288584
Energy: 0.8702358947018106

minimum gb energy = 0.8642694419021034 eV
minimum distance =  2.33241512848734 Angstroms
sigma value = 17


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

Energy: 1.4770639196431155
Energy: 1.1511446282274813
Energy: 1.1536939132787627
Energy: 0.9775801005171723
Energy: 0.9144460552274197
Energy: 0.921076164509745
Energy: 0.9204056017442631
Energy: 0.9210761645105852
Energy: 0.9210976460034355
Energy: 0.9210818134774316
Energy: 1.3247812731279272
Energy: 0.9210818134782716
Energy: 0.9210203682150523
Energy: 1.0135900298313771
Energy: 0.9201867439440314
Energy: 1.0135900298322171
Energy: 1.0643908891959708
Energy: 1.0039813867571916
Energy: 0.9653608724661202
Energy: 1.0039813867563516
Energy: 0.922781122918049
Energy: 1.0068291072111728
Energy: 0.9776966302087369
Energy: 1.0068291072111728
Energy: 0.9654131563153376
Energy: 0.9251234685542141
Energy: 0.9201955403910538
Energy: 0.9251234685542141
Energy: 0.9698155478018141
Energy: 0.9215241622438851
Energy: 0.8939741326930093
Energy: 0.9215241622438851
Energy: 0.9775572226664901
Energy: 0.9777199141287694
Energy: 1.0811548644622815
Energy: 0.9777199124611019
Energy: 0.9669881936552067
Energy: 0.9819733105797385
Energy: 0.9206000840347623
Energy: 0.9819733105797385
Energy: 1.0631728915794465
Energy: 0.9233454222748415
Energy: 0.9291615734564417
Energy: 0.9233454222731614
Energy: 0.9690573771825338
Energy: 0.9220176251431929
Energy: 0.9205060078462876
Energy: 0.9220176251431929
Energy: 0.9659036609068242
Energy: 0.9248717029736038
Energy: 0.9147219825160305
Energy: 0.9248717029736038
Energy: 0.9654050291985865
Energy: 0.9797026223754977
Energy: 0.9274358060263772
Energy: 0.9797026223763377
Energy: 0.9676275817893976
Energy: 0.967636314425661
Energy: 0.9643243313916507
Energy: 0.9676363144265011
Energy: 0.9218612750693801
Energy: 0.9676559539437886
Energy: 0.9644478453370076
Energy: 0.9676559539530295
Energy: 0.9656557939768463
Energy: 0.9201572942755835
Energy: 0.8947520702381349
Energy: 0.9201572942663425
Energy: 0.9656748796236622
Energy: 0.920095246048595
Energy: 0.9204136764573171
Energy: 0.9200952460494352
Energy: 0.9750082598927983
Energy: 1.0043925777082898
Energy: 0.9784089472756687
Energy: 1.0043925777082898
Energy: 0.9526392958602756
Energy: 1.007199783266458
Energy: 0.9780197236458188
Energy: 1.007199783266458
Energy: 0.921444580863591
Energy: 0.9208293799022341
Energy: 0.9667810591345775
Energy: 0.9208293799030742
Energy: 0.9204931026200229
Energy: 0.9229013034794621
Energy: 1.1688836992250822
Energy: 0.9229013034794621
Energy: 0.9203956035803215
Energy: 0.9812954243633806
Energy: 0.9196135432175031
Energy: 0.9812954243633806
Energy: 1.0824870008206864
Energy: 1.0590834765554724
Energy: 1.1512677329926828
Energy: 1.0590834765554724
Energy: 0.8957176960223332
Energy: 0.9156556734672713
Energy: 0.9684960397825513
Energy: 0.9156556734681114
Energy: 0.9159095020637762
Energy: 0.9223305890762146
Energy: 0.979703551007025
Energy: 0.922330589069494
Energy: 0.9285711898691607
Energy: 0.9753565033703574
Energy: 0.9675517729599034
Energy: 0.9753565033711974
Energy: 0.9213087406073891
Energy: 0.9224784126720171
Energy: 1.1744298793155827
Energy: 0.9224784126720171
Energy: 0.9157671727210487
Energy: 0.9157643652697472
Energy: 0.9660066892029741
Energy: 0.9157643652714275
Energy: 1.4769608770266698
Energy: 1.0607257726360804
Energy: 1.1518991819051023
Energy: 1.06072577263272

minimum gb energy = 0.8939741326930093 eV
minimum distance =  2.25829455590518 Angstroms
sigma value = 53


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

Energy: 1.3027666375074467
Energy: 1.0792839736460784
Energy: 1.0802196380741544
Energy: 0.8181333056326
Energy: 0.9686876376990612
Energy: 0.868485971062062
Energy: 0.9695909586689627
Energy: 0.868485971062062
Energy: 1.0790870697604458
Energy: 1.0249043102189763
Energy: 1.0505616438716914
Energy: 1.0249043102189763
Energy: 0.9706933821740134
Energy: 0.870469904530642
Energy: 0.9678078485776077
Energy: 0.870469904528708
Energy: 0.9871565907545234
Energy: 0.8691174558576372
Energy: 0.8006754472620486
Energy: 0.8691174558557033
Energy: 0.9666613961215189
Energy: 0.8702711634875857
Energy: 0.800761028818579
Energy: 0.8702711634875857
Energy: 1.1253124688772358
Energy: 0.968495882685906
Energy: 0.9703518602401784
Energy: 0.968495882685906
Energy: 1.125098464863379
Energy: 0.8714460295273888
Energy: 0.9677858565961637
Energy: 0.8714460295273888
Energy: 1.0786533320761935
Energy: 0.8702617550100182
Energy: 1.0512213994496453
Energy: 0.8702617550100182
Energy: 0.9670422283859923
Energy: 0.8707469074029709
Energy: 0.9690698877331388
Energy: 0.8707469074029709
Energy: 1.0540715490051553
Energy: 0.8715919078442101
Energy: 0.8006135216734095
Energy: 0.8715919078422761
Energy: 0.9705736023909465
Energy: 0.8710997157804354
Energy: 0.8018250032761987
Energy: 0.8710997157804354
Energy: 1.1249338616051945
Energy: 0.8704694185344153
Energy: 0.9665729379309967
Energy: 0.8704694185363493

minimum gb energy = 0.8006135216734095 eV
minimum distance =  2.31848134250771 Angstroms
sigma value = 9


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

Energy: 1.3422939770916007
Energy: 1.1666763796024109
Energy: 1.2221052721385437
Energy: 1.1102567951086666
Energy: 0.9972051134281729
Energy: 0.8997289625684227
Energy: 1.2272241890804152
Energy: 0.8997289625705701
Energy: 0.8989722504449454
Energy: 0.9010454626702958
Energy: 1.2040810313723402
Energy: 0.9010454626724431
Energy: 0.9045717762835644
Energy: 0.9010095341506261
Energy: 1.2284701386494974
Energy: 0.9010095341491945
Energy: 0.901526753397653
Energy: 0.8989867455061479
Energy: 1.2133281833019967
Energy: 0.8989867455061479
Energy: 0.9591917351661055
Energy: 0.8994731108122391
Energy: 1.2132229432368629
Energy: 0.8994731108115233
Energy: 1.2362842707923265
Energy: 1.151431184902902
Energy: 1.1529279793145504
Energy: 1.151431184902902
Energy: 1.2135202208901943
Energy: 1.1401726089248974
Energy: 1.1198966655882525
Energy: 1.1401726089241815
Energy: 0.94580752651901
Energy: 1.0186331334362029
Energy: 1.014153274772386
Energy: 1.0186331334362029
Energy: 0.9285540556840073
Energy: 0.9862544786150635
Energy: 1.1299749086606197
Energy: 0.9862544786150635
Energy: 0.9789269859642031
Energy: 0.9844441006329978
Energy: 1.166872657331276
Energy: 0.9844441008998636
Energy: 0.9901846820750956
Energy: 1.0840492667860588
Energy: 1.2550565870451231
Energy: 1.0840492667874906
Energy: 1.213718602952519
Energy: 1.0095047974462636
Energy: 1.1306981248656727
Energy: 1.0095047974476952
Energy: 1.1981785748234077
Energy: 1.0072450986825958
Energy: 1.0121382414848081
Energy: 1.0072450986818802
Energy: 1.0873679081991756
Energy: 1.0242381660065887
Energy: 1.0298670686906246
Energy: 1.0242381660080204
Energy: 1.1077035277003218
Energy: 1.062936380763627
Energy: 1.0301634388338967
Energy: 1.0629363807643426
Energy: 1.113696178916672
Energy: 1.0944225884638983
Energy: 1.0630923833595283
Energy: 1.094422588464614
Energy: 1.0896421425893816
Energy: 1.053600580852968
Energy: 1.2515043816203024
Energy: 1.0536005808522522
Energy: 1.17697077744268
Energy: 1.0233402980948445
Energy: 1.0565976624764342
Energy: 1.0233402980962762
Energy: 1.203191676805029
Energy: 0.9480144305724542
Energy: 0.9564252344344444
Energy: 0.9480144305724542
Energy: 1.1780464518136955
Energy: 0.9447174245938454
Energy: 0.9500242551826428
Energy: 0.9447174245931296
Energy: 1.2200092498079327
Energy: 0.9287727240022069
Energy: 0.9265425957602866
Energy: 0.9287727240029228
Energy: 1.2131638789602885
Energy: 0.9414681007005735
Energy: 0.939142131946459
Energy: 0.9414681007020052
Energy: 1.1236176779523164
Energy: 1.1400913074256565
Energy: 1.2123408226166523
Energy: 1.140091307424225
Energy: 1.1294331912453974
Energy: 1.1297695327961164
Energy: 1.212827952533275
Energy: 1.1297695327961164
Energy: 1.0166763260700442
Energy: 1.0220752714989934
Energy: 0.9795896280585852
Energy: 1.0220752715004249
Energy: 1.1369019570475607
Energy: 0.983863176483754
Energy: 0.9279371927449634
Energy: 0.983863176483754
Energy: 1.1660182464521645
Energy: 0.9783384189333085
Energy: 0.976698575944615
Energy: 0.9783384189325928
Energy: 1.3317705862188995
Energy: 1.0264714366702825
Energy: 0.9750410298019354
Energy: 1.0264714366695669
Energy: 1.1343903840442695
Energy: 0.9819776577759823
Energy: 1.212940941711297
Energy: 0.9819776577759823
Energy: 0.9873850432465566
Energy: 0.9817689891526561
Energy: 1.208598750174696
Energy: 0.9817689891526561
Energy: 1.0089340800828916
Energy: 1.0098870713799268
Energy: 1.1330651004272396
Energy: 1.009887071379211
Energy: 0.9838585901329621
Energy: 1.0187119668710656
Energy: 1.1103767692432243
Energy: 1.0187119668717162
Energy: 1.0038112900350442
Energy: 1.0176634745239885
Energy: 1.0984309504231564
Energy: 1.0176634745211255
Energy: 1.3447338799412225
Energy: 1.1315397916831456
Energy: 1.1453421836034754
Energy: 1.1315397916817138

minimum gb energy = 0.8989722504449454 eV
minimum distance =  2.2350501916084 Angstroms
sigma value = 73


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

Energy: 1.3188812764122357
Energy: 1.1590252191230133
Energy: 1.0651681585525088
Energy: 1.0152918156134692
Energy: 1.070837329001825
Energy: 0.9196829768105332
Energy: 1.1460548358863858
Energy: 0.9196829768116689
Energy: 0.919613625498117
Energy: 0.9199382881817785
Energy: 1.1057023385534375
Energy: 0.9199382881817785
Energy: 0.9194118899973013
Energy: 0.9205773015977045
Energy: 1.188636373634829
Energy: 0.9205773015977045
Energy: 0.9289844236884385
Energy: 0.9287721492488077
Energy: 1.20211673839877
Energy: 0.9287721492488077
Energy: 0.9835344458115857
Energy: 1.1094364284966602
Energy: 1.2021925152098907
Energy: 1.1094364284966602
Energy: 1.1829623547377663
Energy: 1.1049699772372978
Energy: 1.1243815730459878
Energy: 1.1049699772372978
Energy: 1.2022750052604925
Energy: 1.107815282357145
Energy: 1.1049231502911836
Energy: 1.1078152823560095
Energy: 0.9915403152012546
Energy: 1.1235922243058163
Energy: 1.1118195744198731
Energy: 1.1235922243058163
Energy: 0.9623687565091344
Energy: 1.0409522750055509
Energy: 1.110574859448976
Energy: 1.0409522750055509
Energy: 0.9834526876731547
Energy: 0.9175369485107234
Energy: 1.1741525759590288
Energy: 0.9175369485095877
Energy: 0.9753640206914849
Energy: 0.9185772263314166
Energy: 1.1770206087417612
Energy: 0.9185772263314166
Energy: 1.111903861497232
Energy: 1.0113464133575123
Energy: 1.1765762864392855
Energy: 1.0113464133575123
Energy: 1.1072006903967015
Energy: 0.9857726743326716
Energy: 0.9873570166623857
Energy: 0.9857726743326716
Energy: 1.119357498299497
Energy: 0.9811368095009733
Energy: 0.965590834945913
Energy: 0.9811368095021089
Energy: 1.2216355749396945
Energy: 0.9621084721365359
Energy: 0.9604624515435721
Energy: 0.9621084721365359
Energy: 1.2029144015836015
Energy: 1.1489423207898075
Energy: 1.070888781422838
Energy: 1.1489423207898075
Energy: 1.1671694134967885
Energy: 1.077712196217809
Energy: 1.1838402053278883
Energy: 1.077712196217809
Energy: 1.0689223548620645
Energy: 1.0787711580926846
Energy: 1.1831716970885464
Energy: 1.0787711580938204
Energy: 1.0488777036958308
Energy: 0.9821484597618404
Energy: 0.9861769162608016
Energy: 0.9821484597607046
Energy: 1.0705039935717446
Energy: 1.0565849776253207
Energy: 0.963597044679081
Energy: 1.0565849776241851
Energy: 1.2016910843393622
Energy: 1.0132876250013132
Energy: 1.063339045147999
Energy: 1.0132876250013132

minimum gb energy = 0.9175369485095877 eV
minimum distance =  2.28314477039379 Angstroms
sigma value = 7


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

Energy: 1.5068771030750168
Energy: 1.1723653295657641
Energy: 1.1643086958539268
Energy: 0.9821438073312743
Energy: 1.0799384201527857
Energy: 1.0542145593843415
Energy: 1.1481129648856856
Energy: 1.0542145593827354
Energy: 0.9183206943662682
Energy: 1.0610102112482789
Energy: 1.0150852851493373
Energy: 1.061010211249885
Energy: 0.9189423456058144
Energy: 0.9184687958459774
Energy: 1.0507985738753312
Energy: 0.9184687958427652
Energy: 0.9507604907217981
Energy: 0.9504246792522992
Energy: 1.1266547773276998
Energy: 0.9504246792522992
Energy: 1.0505124640259718
Energy: 0.9494994597506229
Energy: 1.1259663905737836
Energy: 0.9494994597514259
Energy: 1.198293347684223
Energy: 0.9500942440460739
Energy: 0.9520501209412343
Energy: 0.950094244045271
Energy: 1.1900791050076418
Energy: 0.9500005446229464
Energy: 0.9494662903512414
Energy: 0.9500005446237494
Energy: 1.1455213045957773
Energy: 0.9167338231849933
Energy: 0.9171575730091507
Energy: 0.9167338231865995
Energy: 1.115716936554462
Energy: 1.0620286138720767
Energy: 0.9180674533570384
Energy: 1.0620286138712736
Energy: 1.162253300779102
Energy: 1.0622527236562682
Energy: 1.1482545796695918
Energy: 1.0622527236578745
Energy: 1.082545547206404
Energy: 1.0587755343001826
Energy: 1.1936923896258622
Energy: 1.0587755342977732
Energy: 1.0544637572987527
Energy: 1.026708569216016
Energy: 1.0838380007456425
Energy: 1.0267085692192284
Energy: 1.0241235883241744
Energy: 0.9704314104799151
Energy: 0.9174156042760561
Energy: 0.9704314104815213
Energy: 1.0788483497761714
Energy: 1.0259291533090436
Energy: 0.9162540917429814
Energy: 1.0259291533082404
Energy: 1.1492789672780135
Energy: 1.0618069768646914
Energy: 1.0852628646671028
Energy: 1.0618069768646914
Energy: 1.2496889154131103
Energy: 1.0610948617214149
Energy: 1.1610200625178335
Energy: 1.0610948617221814
Energy: 0.9569102412400113
Energy: 1.0619930754136608
Energy: 1.0140428665083088
Energy: 1.0619930754120548
Energy: 0.9177345138698851
Energy: 0.917953529984932
Energy: 1.0497404750053045
Energy: 0.917953529986538
Energy: 0.9493543549382137
Energy: 0.9498203738765284
Energy: 1.1495378585442997
Energy: 0.9498203738781346
Energy: 0.9526588607076406
Energy: 0.9497652076052544
Energy: 1.117443338527842
Energy: 0.9497652076068605
Energy: 1.1923034207924275
Energy: 0.9499756853231877
Energy: 1.0498146286734231
Energy: 0.9499756853223846
Energy: 1.1942272461315082
Energy: 0.9505751642483666
Energy: 0.9506108932896852
Energy: 0.9505751642483666
Energy: 1.05220486014728
Energy: 0.9178059416957942
Energy: 0.918571666701429
Energy: 0.9178059416941882
Energy: 1.1165614479790449
Energy: 0.9181655114943954
Energy: 0.9183481305843976
Energy: 0.9181655114960017
Energy: 1.1334286747395044
Energy: 1.0620368301664578
Energy: 1.0820504087085687
Energy: 1.0620368301664578
Energy: 1.1645096014353584
Energy: 1.173292173189273
Energy: 1.3092463694090708
Energy: 1.173292173191682
Energy: 1.0577641466544572
Energy: 1.0591955315012869
Energy: 1.0817232111456279
Energy: 1.0591955315012869
Energy: 1.0176085632575014
Energy: 0.9735462581847223
Energy: 1.0271908410695627
Energy: 0.9735462581847223
Energy: 1.0636908337061246
Energy: 1.0266490640048727
Energy: 0.9172655996941143
Energy: 1.0266490640032664
Energy: 1.1508238424089083
Energy: 1.078213165389582
Energy: 1.0807752117967853
Energy: 1.0782131653871727

minimum gb energy = 0.9162540917429814 eV
minimum distance =  2.24213459721798 Angstroms
sigma value = 29


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

Energy: 0.832475335601445
Energy: 1.0975078993864078
Energy: 1.0404178607966201
Energy: 0.8333494639524284
Energy: 0.9291654866510297
Energy: 0.9396434305491752
Energy: 0.8582474761405171
Energy: 0.9396434305497345
Energy: 0.9298591839131567
Energy: 0.9110020710916363
Energy: 0.8384986078879645
Energy: 0.911002071091108
Energy: 0.835254130543469
Energy: 0.8500763139600012
Energy: 0.8590040720455027
Energy: 0.8500763139600012
Energy: 0.8497198793218314
Energy: 0.8503710042818388
Energy: 0.8347730066024832
Energy: 0.8503710042818388
Energy: 0.856416346078229
Energy: 0.9116555007845005
Energy: 0.8347516047737625
Energy: 0.9116555007853087
Energy: 0.837315769099299
Energy: 0.9103381589284186
Energy: 0.9320592035161694
Energy: 0.9103381589278902
Energy: 0.8577889970149469
Energy: 0.8541761620040541
Energy: 0.8344120445075204
Energy: 0.8541761620040541
Energy: 0.9308892729343151
Energy: 0.8500576944609574
Energy: 0.9287051479209841
Energy: 0.8500576944609574

minimum gb energy = 0.832475335601445 eV
minimum distance =  2.27662019046066 Angstroms
sigma value = 5


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

Energy: 1.1382567763011817
Energy: 1.1014980200056486
Energy: 1.1027896223877047
Energy: 0.8658423956095095
Energy: 1.0349591202338737
Energy: 0.8763555006639636
Energy: 1.020101173092295
Energy: 0.8763555006639636
Energy: 1.0184530548381625
Energy: 0.9424759417804599
Energy: 1.0085254231890786
Energy: 0.9424759417804599
Energy: 0.8880968051470681
Energy: 0.8742175980942867
Energy: 1.077603181931115
Energy: 0.8742175980935281
Energy: 0.9641882328005146
Energy: 0.8746812899019635
Energy: 1.009226150623994
Energy: 0.8746812899027222
Energy: 0.9203257901342409
Energy: 0.8743453374589585
Energy: 1.0092454768715717
Energy: 0.8743453374597172
Energy: 0.8748886720660005
Energy: 0.8743021837313015
Energy: 1.077255671158963
Energy: 0.87430218373206
Energy: 0.8758771130925878
Energy: 0.8764147006681863
Energy: 1.1292793361867381
Energy: 0.8764147006681863
Energy: 1.0361509401215052
Energy: 0.91764404110138
Energy: 1.134578086437871
Energy: 0.91764404110138
Energy: 1.012141838243588
Energy: 0.8625815604986656
Energy: 0.8664686961167184
Energy: 0.8625815604986656
Energy: 1.03324917798564
Energy: 0.873765137466505
Energy: 0.8741901762285398
Energy: 0.8737651374672635
Energy: 1.1233283941552172
Energy: 0.8610728976351347
Energy: 0.8607055743150028
Energy: 0.8610728976351347
Energy: 1.1265240017154263
Energy: 0.8622011322461989
Energy: 1.0360312984382318
Energy: 0.8622011322439231
Energy: 1.0312843143344845
Energy: 0.9140606423508193
Energy: 1.0083253608336542
Energy: 0.9140606423500607
Energy: 0.8768493584144665
Energy: 0.8745548288238266
Energy: 1.0089124168318506
Energy: 0.8745548288245851
Energy: 0.8794907138782967
Energy: 0.8748874528858772
Energy: 1.0826311163588012
Energy: 0.8748874528873944
Energy: 0.876442664984361
Energy: 0.874743738384377
Energy: 0.8900044412553574
Energy: 0.874743738384377
Energy: 1.0192084971022781
Energy: 0.8776914792946131
Energy: 1.032993933074986
Energy: 0.8776914792938546
Energy: 1.0158956223242783
Energy: 0.9431381542601324
Energy: 1.0218743455296513
Energy: 0.9431381542601324
Energy: 1.07822929615035
Energy: 0.8741838210556261
Energy: 0.8858916720174221
Energy: 0.8741838210548675
Energy: 1.0103326434389208
Energy: 0.8752123267799506
Energy: 1.010576167002288
Energy: 0.8752123267799506
Energy: 1.0085782421019438
Energy: 0.8744175120462349
Energy: 0.8741980020614144
Energy: 0.8744175120454762
Energy: 1.0779681177189795
Energy: 0.8746711913428703
Energy: 0.8760026706669448
Energy: 0.8746711913421118
Energy: 1.1282365971311439
Energy: 0.8760442566782182
Energy: 0.880552750635172
Energy: 0.8760442566782182
Energy: 1.136099951141547
Energy: 0.9117243562037396
Energy: 1.0338412382875244
Energy: 0.9117243562037396
Energy: 0.8653051388086151
Energy: 0.8640296133383386
Energy: 1.0119680354022234
Energy: 0.8640296133383386
Energy: 0.8878545159958329
Energy: 0.8748765516691456
Energy: 1.0365472225796464
Energy: 0.8748765516683871
Energy: 0.8607141457652987
Energy: 0.8612975331452289
Energy: 0.9415163317162376
Energy: 0.8612975331452289
Energy: 1.0355094829029814
Energy: 0.8613085537766132
Energy: 1.1439307852269418
Energy: 0.8613085537788888
Energy: 1.0094162647765885
Energy: 0.9126603196880898
Energy: 1.0322345138987088
Energy: 0.9126603196888483
Energy: 1.0087691220207613
Energy: 0.8749553819659068
Energy: 0.8768172969894529
Energy: 0.8749553819659068
Energy: 1.0796446706810634
Energy: 0.8754103189903208
Energy: 0.8761968017150118
Energy: 0.8754103189895623
Energy: 0.8888622961942392
Energy: 0.8744417448799078
Energy: 0.875006213427497
Energy: 0.8744417448806664

minimum gb energy = 0.8607055743150028 eV
minimum distance =  2.26974351350967 Angstroms
sigma value = 1


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

Energy: 1.331618573551144
Energy: 1.0925648788900526
Energy: 1.0913279915115193
Energy: 0.8447325301489531
Energy: 1.0300584093261365
Energy: 0.8524228518612629
Energy: 0.9915258453543699
Energy: 0.8524228518612629
Energy: 1.0165954803168815
Energy: 0.9409331207124435
Energy: 1.026353236093128
Energy: 0.9409331207113946
Energy: 0.9440832050979986
Energy: 0.856532536340036
Energy: 1.023498012636433
Energy: 0.856532536340036
Energy: 0.976326145654599
Energy: 0.856709730640203
Energy: 1.0401410411221201
Energy: 0.8567097306412518
Energy: 0.8566264727213043
Energy: 0.8570908756073955
Energy: 1.0101734352140141
Energy: 0.8570908756073955
Energy: 0.8563111970134409
Energy: 0.8566861893500022
Energy: 1.0234717146350016
Energy: 0.8566861893500022
Energy: 0.8578987519909718
Energy: 0.8583443449604964
Energy: 1.1205949200879481
Energy: 0.8583443449615453
Energy: 0.855429876483844
Energy: 0.9133923868948841
Energy: 1.0796954447624811
Energy: 0.9133923868959091
Energy: 1.121321574122264
Energy: 0.8231640118259445
Energy: 0.9117312771615261
Energy: 0.8231640118259445
Energy: 0.9799495876050138
Energy: 0.8296891164673182
Energy: 0.9232362386388111
Energy: 0.8296891164673182
Energy: 1.1636902398465119
Energy: 0.8212902700088649
Energy: 0.8859584012463884
Energy: 0.8212902700099137
Energy: 1.1627333204865054
Energy: 0.8221127412066983
Energy: 1.0159309080531027
Energy: 0.8221127412066983
Energy: 1.0711725555207205
Energy: 0.8208294025468131
Energy: 1.0846800778770647
Energy: 0.8208294025468131
Energy: 0.9449675791267358
Energy: 0.9076914907625229
Energy: 1.08251358147174
Energy: 0.907691490761474
Energy: 0.9453734184932476
Energy: 0.8569806716042044
Energy: 1.1369985194009893
Energy: 0.8569806716042044
Energy: 0.9164308192088364
Energy: 0.8578410395789806
Energy: 1.0111044758999441
Energy: 0.8578410395789806
Energy: 0.8720509113364603
Energy: 0.8594615736496083
Energy: 1.010207105000915
Energy: 0.8594615736506572
Energy: 0.8646051535693671
Energy: 0.8576534131010481
Energy: 1.1837763454164554
Energy: 0.8576534131010481
Energy: 0.8579429652668222
Energy: 0.909321179176408
Energy: 1.1326541979942777
Energy: 0.9093211791774569
Energy: 1.0988171539839207
Energy: 0.9061120013706312
Energy: 1.0797279318190713
Energy: 0.9061120013716801
Energy: 1.0997052558768046
Energy: 0.8517365895799729
Energy: 0.8515150560404106
Energy: 0.8517365895799729
Energy: 1.1175885504195726
Energy: 0.8509623363014186
Energy: 0.8508982223804562
Energy: 0.8509623363014186
Energy: 1.1022084774939664
Energy: 0.8505324896574982
Energy: 0.8506184546566165
Energy: 0.8505324896564493

minimum gb energy = 0.8208294025468131 eV
minimum distance =  2.26143651823589 Angstroms
sigma value = 17


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

Energy: 1.288876183098512
Energy: 0.8385727464057889
Energy: 1.0874676650885666
Energy: 0.8315417498150306
Energy: 1.002054879757175
Energy: 0.8366791424291505
Energy: 0.950306447635288
Energy: 0.8366791424278541
Energy: 1.0555261488143053
Energy: 1.1212455419289085
Energy: 0.9527780825091043
Energy: 1.1212455419295568
Energy: 1.0554264311366017
Energy: 0.8240951211950555
Energy: 0.8840306427322893
Energy: 0.8240951211957037
Energy: 1.0606512402853119
Energy: 0.8251111571075735
Energy: 1.1294121123775394
Energy: 0.8251111571069252
Energy: 0.8252525554305052
Energy: 0.8247269265098226
Energy: 1.16651689711677
Energy: 0.8247269265104709
Energy: 0.8250495879952028
Energy: 0.8240354286200662
Energy: 0.885130921756142
Energy: 0.8240354286200662
Energy: 0.8331515153406072
Energy: 0.8263968720441353
Energy: 1.2068944484657849
Energy: 0.8263968720441353
Energy: 1.0643461984633587
Energy: 0.8256841959104497
Energy: 1.1312929903341291
Energy: 0.8256841959104497
Energy: 0.9513649101199978
Energy: 0.837842075674143
Energy: 0.9536753503757085
Energy: 0.837842075667012
Energy: 1.1314335636204809
Energy: 0.8379125107069313
Energy: 0.843117482798387
Energy: 0.8379125107742934
Energy: 1.0372334383093917
Energy: 0.8370853763089425
Energy: 0.9514732871511741
Energy: 0.8370853763095909
Energy: 1.0368057970547233
Energy: 0.8347917489358132
Energy: 0.8361269153112771
Energy: 0.8347917489409995
Energy: 1.0057821470687542
Energy: 0.8352138733689403
Energy: 0.8368920892360481
Energy: 0.8352138733695884
Energy: 1.0522119843520727
Energy: 0.8369314414937751
Energy: 0.8398883337934172
Energy: 0.8369314414924786
Energy: 1.2019014084004858
Energy: 0.8665783044864552
Energy: 1.1308393298555008
Energy: 0.866578304485807
Energy: 0.8362535340352338
Energy: 0.9506040101141556
Energy: 1.1747665316878417
Energy: 0.9506040101135074
Energy: 0.8348550368930301
Energy: 0.8349866984801464
Energy: 1.1364556299663093
Energy: 0.8349866984801464
Energy: 0.8846818896334925
Energy: 0.8373230501909016
Energy: 1.129504468871237
Energy: 0.8373230501909016
Energy: 0.8431496250219159
Energy: 0.8364372513506212
Energy: 1.2898793744850907
Energy: 0.836437251354511
Energy: 0.9560235847775002
Energy: 0.8368611352162291
Energy: 1.0035094378254625
Energy: 0.8368611352142843
Energy: 0.9537053333767491
Energy: 1.1210188932207372
Energy: 1.0533683496284467
Energy: 1.121018893220089
Energy: 0.8818952365770489
Energy: 0.8243614554377616
Energy: 1.0534153006394815
Energy: 0.8243614554397064
Energy: 1.1303215195080172
Energy: 0.8255668843752884
Energy: 0.9255148906781517
Energy: 0.8255668843746401
Energy: 1.1661738971964943
Energy: 0.8241461822417717
Energy: 0.8241878874141091
Energy: 0.8241461822417717
Energy: 0.8904699426174165
Energy: 0.8249969626321022
Energy: 0.8278692267069103
Energy: 0.8249969626321022
Energy: 1.2892107606086736
Energy: 0.8281608923271164
Energy: 0.8321949868214464
Energy: 0.8281608923258198
Energy: 1.1277890750439727
Energy: 0.8262847158776708
Energy: 1.0927919887941102
Energy: 0.8262847158770226
Energy: 0.9509075912435843
Energy: 0.8366596266366815
Energy: 0.9546841490034986
Energy: 0.8366596266392746
Energy: 0.8440997984272981
Energy: 0.834339576675268
Energy: 1.1278267645141367
Energy: 0.8343395766759163
Energy: 0.9168969410149269
Energy: 0.8347771648124939
Energy: 1.0364416527746527
Energy: 0.8347771648137905
Energy: 0.8348426118501081
Energy: 0.8343188450541484
Energy: 1.0478078948323994
Energy: 0.8343188450541484
Energy: 0.8349842110017129
Energy: 0.8343841392409882
Energy: 1.1260729360803505
Energy: 0.8343841392396917
Energy: 0.8434173912216859
Energy: 0.8380235609958863
Energy: 1.054778410715112
Energy: 0.8380235609971829
Energy: 1.133529733560955
Energy: 0.866682093138903
Energy: 1.1716675095519646
Energy: 0.8666820931401996
Energy: 1.1742378224725556
Energy: 0.8385603814841527
Energy: 0.8365910954366536
Energy: 0.8385603814828562
Energy: 1.133191256400185
Energy: 0.8351392078253433
Energy: 0.8354720375438772
Energy: 0.8351392078246951
Energy: 1.1325539638596442
Energy: 0.8352373463456682
Energy: 0.8685381573030238
Energy: 0.8352373463443716

minimum gb energy = 0.8240354286200662 eV
minimum distance =  2.2687425442908 Angstroms
sigma value = 89


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

Energy: 1.3527208238066044
Energy: 0.7668588140383936
Energy: 0.7668546668825134
Energy: 0.7952834083403414
Energy: 0.823222990061052
Energy: 0.767815848371326
Energy: 0.7835817706784548
Energy: 0.767815848371326
Energy: 0.7569514203250383
Energy: 0.8430992838767141
Energy: 0.8233962662537558
Energy: 0.8430992838767141
Energy: 0.758998708881834
Energy: 0.8440458351697269
Energy: 0.8237689137862925
Energy: 0.8440458351697269
Energy: 0.7835138293561723
Energy: 0.766123279028656
Energy: 0.9714043285077782
Energy: 0.766123279028656
Energy: 0.7646131843861984
Energy: 0.7659896320668148
Energy: 0.9700714214982454
Energy: 0.7659896320668148
Energy: 0.7632793723569725
Energy: 0.7629076444540867
Energy: 0.8230831454476244
Energy: 0.7629076444540867
Energy: 0.7655381534757699
Energy: 0.7657605247144084
Energy: 0.7572959222758038
Energy: 0.7657605247127122
Energy: 0.7836595678608189
Energy: 0.7644066667571643
Energy: 0.7563655556025047
Energy: 0.7644066667571643
Energy: 0.8233078067853932
Energy: 0.7652634674251535
Energy: 0.8217194364420468
Energy: 0.7652634674251535
Energy: 0.8224597277934068
Energy: 0.8427932192687962
Energy: 0.7556574183172894
Energy: 0.8427932192687962
Energy: 0.9697448684846364
Energy: 0.7677653801600973
Energy: 0.7832084130486524
Energy: 0.7677653801600973
Energy: 0.9722947649500794
Energy: 0.7669404050337019
Energy: 0.7656105015826905
Energy: 0.7669404050337019
Energy: 0.8213418906020281
Energy: 0.7633089280485184
Energy: 0.7617495253621841
Energy: 0.7633089280485184
Energy: 0.756992838940998
Energy: 0.7648297920447809
Energy: 0.765593942316287
Energy: 0.7648297920447809

minimum gb energy = 0.7556574183172894 eV
minimum distance =  2.29786873659726 Angstroms
sigma value = 13


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

Energy: 1.1920233489413752
Energy: 0.7444801953028951
Energy: 1.00845784162471
Energy: 0.755520476343707
Energy: 1.1249003789505652
Energy: 0.7428186291702396
Energy: 0.8778138126632411
Energy: 0.7428186291702396
Energy: 1.1191610567822876
Energy: 0.7410849312300475
Energy: 0.8531076878748878
Energy: 0.7410849312336021
Energy: 0.9467945321434017
Energy: 0.7967579790924358
Energy: 1.0178932190257286
Energy: 0.7967579790945686
Energy: 1.0585784636775057
Energy: 0.7936613568079618
Energy: 1.059761746899325
Energy: 0.7936613568100945
Energy: 0.8557816876229045
Energy: 0.7419582125395837
Energy: 1.0437323621788708
Energy: 0.7419582125395837
Energy: 0.8570073163162849
Energy: 0.7415187064080874
Energy: 1.0858760492301447
Energy: 0.7415187064066654
Energy: 0.8422537940054466
Energy: 0.7428050537475801
Energy: 1.069629034070783
Energy: 0.7428050537482909
Energy: 0.7612627272445677
Energy: 0.7598603461094225
Energy: 1.056796282801202
Energy: 0.7598603461080006
Energy: 0.7439213099238763
Energy: 0.7412558688502799
Energy: 1.053903183574663
Energy: 0.741255868849569
Energy: 0.7408735026412506
Energy: 0.7473394411187348
Energy: 1.1932590587977538
Energy: 0.7473394411194457
Energy: 1.0442290946739152
Energy: 0.7416060263646275
Energy: 1.0946848227832608
Energy: 0.7416060263653383
Energy: 1.0452447931640096
Energy: 0.7887922275018507
Energy: 1.04432758114093
Energy: 0.7887922275018507
Energy: 1.0901127852529
Energy: 0.7404203620586336
Energy: 0.9472261044470554
Energy: 0.7404203620586336
Energy: 1.0559660822844723
Energy: 0.7437048433735408
Energy: 0.9947249376829886
Energy: 0.7437048433721188
Energy: 1.0557526915152249
Energy: 0.7427848356182658
Energy: 0.74432345854044
Energy: 0.7427848356196878
Energy: 1.086941754477126
Energy: 0.741651376075453
Energy: 0.7446099075231081
Energy: 0.7416513760761638
Energy: 1.1956680596004252
Energy: 0.7433620302482667
Energy: 0.7481959696339298
Energy: 0.7433620302496886
Energy: 0.9636920099738824
Energy: 0.7411544115449166
Energy: 0.8744700720737744
Energy: 0.7411544115470494
Energy: 1.0563422236423021
Energy: 0.7401718299617013
Energy: 0.844691934386448
Energy: 0.740171829965256
Energy: 0.9445713628266869
Energy: 0.7456330964681787
Energy: 0.8812898574640206
Energy: 0.7456330964681787
Energy: 1.0631218424445725
Energy: 0.7912335858831966
Energy: 1.0427056154562009
Energy: 0.7912335858824857
Energy: 0.8609226539655647
Energy: 0.7425555553040456
Energy: 1.0522959441216255
Energy: 0.7425555553047565
Energy: 0.7416653955355915
Energy: 0.7406881533041436
Energy: 1.0873309073760067
Energy: 0.7406881533020105
Energy: 0.8407790322656404
Energy: 0.7421748571822063
Energy: 1.0513569376916614
Energy: 0.7421748571814952
Energy: 0.7426292445410659
Energy: 0.7407776333153779
Energy: 1.0571633955545954
Energy: 0.7407776333175108
Energy: 0.7408712405880045
Energy: 0.7407865316227299
Energy: 1.0896395527289362
Energy: 0.740786531619886
Energy: 0.7546931170801646
Energy: 0.7439057880487364
Energy: 1.1598707803133899
Energy: 0.7439057880487364
Energy: 1.0258232237440494
Energy: 0.7410030413841048
Energy: 0.9640351900594579
Energy: 0.7410030413848158
Energy: 0.8433667585581618
Energy: 0.7904968492828931
Energy: 1.0467095039710752
Energy: 0.7904968492814713
Energy: 1.085734655597564
Energy: 0.7953417931919077
Energy: 0.9450137543463263
Energy: 0.7953417931926187
Energy: 1.0559684369273834
Energy: 0.7418523102843152
Energy: 1.0269363432994167
Energy: 0.7418523102850261
Energy: 1.055940110849907
Energy: 0.7430705591996217
Energy: 0.7495469500612788
Energy: 0.7430705592003325
Energy: 1.0875442107019229
Energy: 0.7407812993387418
Energy: 0.7409433154890823
Energy: 0.74078129933732
Energy: 0.9646437142558206
Energy: 0.7421884564680181
Energy: 0.7463795773766965
Energy: 0.7421884564687291

minimum gb energy = 0.7401718299617013 eV
minimum distance =  2.28546889260214 Angstroms
sigma value = 37


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

Energy: 1.171612391019185
Energy: 0.6944988956034933
Energy: 0.6975318738051441
Energy: 0.7203403110558972
Energy: 1.0612016042573662
Energy: 0.6956827034245839
Energy: 0.8727579257663013
Energy: 0.6956827034245839
Energy: 1.0923909165526997
Energy: 0.6947807193106189
Energy: 0.8713012780120126
Energy: 0.6947807193106189
Energy: 1.1118516429940375
Energy: 0.7783490322651744
Energy: 0.882986563400663
Energy: 0.7783490322651744
Energy: 1.0622296430040743
Energy: 0.7798890293543554
Energy: 0.954607430357568
Energy: 0.7798890293543554
Energy: 0.8782365638433464
Energy: 0.7777986804933833
Energy: 1.052318890918816
Energy: 0.7777986804921602
Energy: 0.7665216062705061
Energy: 0.6881034515249331
Energy: 1.0258121490378438
Energy: 0.6881034515261564
Energy: 0.8474898195002067
Energy: 0.6783150706087325
Energy: 1.0964456382271062
Energy: 0.6783150706087325
Energy: 0.7734562571695709
Energy: 0.6752882470967879
Energy: 1.0982630309637127
Energy: 0.6752882470967879
Energy: 0.7655920488047708
Energy: 0.6757269949483324
Energy: 1.0213812397859674
Energy: 0.6757269949483324
Energy: 0.8494730653533382
Energy: 0.8502680392544906
Energy: 1.0341209914602365
Energy: 0.8502680392544906
Energy: 0.9380155623221886
Energy: 0.6756086584891459
Energy: 1.0213760610024183
Energy: 0.6756086584891459
Energy: 0.9384644063895643
Energy: 0.6751622023367823
Energy: 1.0928063346933032
Energy: 0.6751622023367823
Energy: 1.0271153764279495
Energy: 0.7596643422006298
Energy: 1.1115608928052645
Energy: 0.7596643422006298
Energy: 0.9546074303563449
Energy: 0.7725718585519751
Energy: 1.0243083071003174
Energy: 0.7725718585519751
Energy: 1.062140485058822
Energy: 0.6953514287093439
Energy: 0.870790011708473
Energy: 0.6953514287093439
Energy: 1.0630714719291496
Energy: 0.6946536309524463
Energy: 0.7665068018139981
Energy: 0.6946536309524463
Energy: 1.0964456382258831
Energy: 0.695012024633806
Energy: 0.6892969147777772
Energy: 0.695012024633806
Energy: 1.0982630309637127
Energy: 0.6949322498509088
Energy: 0.6956222749478672
Energy: 0.6949322498509088
Energy: 1.0615488648968672
Energy: 0.6959848084263789
Energy: 0.6960617371696588
Energy: 0.6959848084263789

minimum gb energy = 0.6751622023367823 eV
minimum distance =  2.28887341215756 Angstroms
sigma value = 25


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

Energy: 1.3707436215187179
Energy: 0.616609174465168
Energy: 0.619808141436593
Energy: 0.6353282371601638
Energy: 1.1493112555262528
Energy: 0.6168762483826539
Energy: 0.7627692922872926
Energy: 0.6168762483816987
Energy: 1.1819854657380038
Energy: 0.6163516640645414
Energy: 0.761451413855195
Energy: 0.6163516640635863
Energy: 0.9741688798846522
Energy: 0.6191884115920181
Energy: 0.9074983052071522
Energy: 0.6191884115920181
Energy: 1.1371632627425485
Energy: 0.615280247825956
Energy: 1.0239904916677702
Energy: 0.615280247825956
Energy: 0.9539835769904665
Energy: 0.6809444939798374
Energy: 1.0210311409521593
Energy: 0.6809444939798374
Energy: 0.9520403994547619
Energy: 0.6123491179933293
Energy: 1.0182787310640409
Energy: 0.6123491179933293
Energy: 0.9152254234162835
Energy: 0.6147525796058209
Energy: 1.0701772509683294
Energy: 0.6147525796039105
Energy: 0.7611098606970016
Energy: 0.6129095079901815
Energy: 1.1375651461492027
Energy: 0.6129095079901815
Energy: 0.7648287819594966
Energy: 0.6135516906037466
Energy: 1.1250250558309123
Energy: 0.6135516906037466
Energy: 0.6802704883198386
Energy: 0.6060865969479955
Energy: 1.1636067200050946
Energy: 0.6060865969470404
Energy: 0.6824084779628157
Energy: 0.6145471713349936
Energy: 1.1250056958647248
Energy: 0.6145471713359486
Energy: 0.6853829870968904
Energy: 0.6078734348560564
Energy: 1.1332804453123477
Energy: 0.6078734348570114
Energy: 0.8224607794053161
Energy: 0.6140452888481946
Energy: 1.1252794433852455
Energy: 0.6140452888501048
Energy: 0.82236930638449
Energy: 0.6060787471300322
Energy: 1.1295988782948527
Energy: 0.6060787471281218
Energy: 0.8226114942822349
Energy: 0.6072049540667188
Energy: 1.1864990991343538
Energy: 0.6072049540657636
Energy: 1.0067199251787446
Energy: 0.6718816656577629
Energy: 1.1804999303331736
Energy: 0.6718816656577629
Energy: 0.810842890291698
Energy: 0.6819736310273823
Energy: 1.019259518512342
Energy: 0.6819736310292928
Energy: 1.0199012764519795
Energy: 0.6792401536399224
Energy: 0.9564487290319592
Energy: 0.6792401536399224
Energy: 1.1494959750021188
Energy: 0.6780193401239221
Energy: 0.9545018642289084
Energy: 0.6780193401248771
Energy: 1.1648068590569898
Energy: 0.620414528215438
Energy: 0.7618379455944185
Energy: 0.6204145282163931
Energy: 1.1390445128028832
Energy: 0.6156481563824946
Energy: 0.67695395271761
Energy: 0.6156481563824946
Energy: 1.184440942908615
Energy: 0.6163543184188829
Energy: 0.7664966164207783
Energy: 0.6163543184188829
Energy: 1.1663232191417707
Energy: 0.6221689047214726
Energy: 0.6164658190977883
Energy: 0.6221689047224278
Energy: 1.1369469072797624
Energy: 0.6163687363352837
Energy: 0.6178631688701438
Energy: 0.6163687363333734
Energy: 1.1845964863837763
Energy: 0.6177034613920379
Energy: 0.6212304389584178
Energy: 0.6177034613920379

minimum gb energy = 0.6060787471281218 eV
minimum distance =  2.29114970981745 Angstroms
sigma value = 41


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

Energy: 1.4044606212080863
Energy: 0.5569393710988738
Energy: 0.559500944734474
Energy: 0.5833426640164695
Energy: 1.2041771589441104
Energy: 0.5540952954011874
Energy: 0.6777744573959569
Energy: 0.5540952954004045
Energy: 1.1967748691263784
Energy: 0.5536920504303658
Energy: 0.6662120559611903
Energy: 0.5536920504303658
Energy: 1.004666373238101
Energy: 0.5579507813172703
Energy: 0.9022457596494587
Energy: 0.5579507813172703
Energy: 1.2031373171910251
Energy: 0.5521048248558017
Energy: 0.899402095917104
Energy: 0.5521048248558017
Energy: 0.9985987613328291
Energy: 0.7413663957088811
Energy: 0.8962413992946869
Energy: 0.7413663957096641
Energy: 1.004198506898034
Energy: 0.6084243388054135
Energy: 1.100449670038156
Energy: 0.6084243388054135
Energy: 1.008732190281637
Energy: 0.6125403714265549
Energy: 0.8899624912316736
Energy: 0.6125403714265549
Energy: 0.7738626131311619
Energy: 0.5518921454107022
Energy: 1.0981675123759491
Energy: 0.5518921454107022
Energy: 0.789428210956463
Energy: 0.5525286310157123
Energy: 1.0076566780039906
Energy: 0.5525286310157123
Energy: 0.674568980592446
Energy: 0.557624361165608
Energy: 1.2402791110204292
Energy: 0.557624361165608
Energy: 0.6621621145036954
Energy: 0.5526989449262621
Energy: 1.199437152304279
Energy: 0.552698944923913
Energy: 0.6793403654179256
Energy: 0.5538310684498327
Energy: 1.1984293016672567
Energy: 0.5538310684498327
Energy: 0.5562120166395689
Energy: 0.5585190531948773
Energy: 1.1062406067771244
Energy: 0.5585190531933113
Energy: 0.5546029592175592
Energy: 0.5534229349819323
Energy: 1.2015634800115986
Energy: 0.5534229349819323
Energy: 0.5584167862473809
Energy: 0.5541875647845305
Energy: 1.200463417940236
Energy: 0.5541875647845305
Energy: 0.6774043435012811
Energy: 0.5562200011312672
Energy: 1.204343216890596
Energy: 0.5562200011312672
Energy: 0.6613296035349648
Energy: 0.5525796853781373
Energy: 1.200750885892649
Energy: 0.5525796853781373
Energy: 0.6803104706033009
Energy: 0.555966116034998
Energy: 1.001333019968212
Energy: 0.555966116034998
Energy: 0.897097590943964
Energy: 0.5548117804702765
Energy: 0.9989798673762468
Energy: 0.5548117804702765
Energy: 0.9225733750649436
Energy: 0.5527291403828741
Energy: 1.0997931335346145
Energy: 0.5527291403828741
Energy: 0.8974615614657079
Energy: 0.6118836357459649
Energy: 1.0051920675454973
Energy: 0.6118836357451819
Energy: 1.0981814391991847
Energy: 0.6053177231193936
Energy: 0.9977107736614413
Energy: 0.6053177231201767
Energy: 0.8883813441593332
Energy: 0.6121781636604808
Energy: 0.8969857653204188
Energy: 0.6121781636604808
Energy: 1.1010417107189732
Energy: 0.5524625428153939
Energy: 0.7683922147427682
Energy: 0.5524625428169598
Energy: 1.1002166694949485
Energy: 0.5546246506129308
Energy: 0.8953480445188754
Energy: 0.5546246506137137
Energy: 1.103361086308446
Energy: 0.5562598962091126
Energy: 0.6800447493147237
Energy: 0.5562598962083296
Energy: 1.1981407151454662
Energy: 0.553320909490174
Energy: 0.6603522316597619
Energy: 0.553320909490174
Energy: 1.1025690881889618
Energy: 0.5556745342830288
Energy: 0.6763691688870982
Energy: 0.5556745342830288
Energy: 1.0997046707912115
Energy: 0.5548912984701064
Energy: 0.5592035586516891
Energy: 0.5548912984701064
Energy: 1.197558816813198
Energy: 0.5545052350939755
Energy: 0.5540822701750783
Energy: 0.5545052350939755
Energy: 1.2081138439833783
Energy: 0.5579889977663589
Energy: 0.5529163323010786
Energy: 0.5579889977671421

minimum gb energy = 0.5518921454107022 eV
minimum distance =  2.30395497860386 Angstroms
sigma value = 15


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

Energy: 1.2166955291615278
Energy: 0.5167737330732498
Energy: 0.79327165165838
Energy: 0.5236193745611673
Energy: 1.2470395193057016
Energy: 0.5110773222863056
Energy: 0.6165601286185682
Energy: 0.5110773222869689
Energy: 1.2449720318968436
Energy: 0.5105525544120412
Energy: 0.6066369883831215
Energy: 0.5105525544107145
Energy: 1.0839523828914168
Energy: 0.5138708197480524
Energy: 0.8101260058908227
Energy: 0.5138708197480524
Energy: 1.0812943887101027
Energy: 0.5085680459537888
Energy: 0.7964145833256879
Energy: 0.5085680459537888
Energy: 1.0740962319182223
Energy: 0.5086802790532453
Energy: 0.8063060986991916
Energy: 0.508680279052582
Energy: 0.8976780895948046
Energy: 0.5105829483833818
Energy: 0.9904160855959676
Energy: 0.5105829483840452
Energy: 0.9960097488068016
Energy: 0.5554314296415966
Energy: 0.7956700126515246
Energy: 0.5554314296389431
Energy: 0.8963018695234869
Energy: 0.5544188366365806
Energy: 0.9847296163252529
Energy: 0.5544188366379074
Energy: 0.8951876069413304
Energy: 0.6874289858773762
Energy: 1.1581548328074884
Energy: 0.6874289858780396
Energy: 0.8098199106785028
Energy: 0.5117816966115648
Energy: 1.081091580383618
Energy: 0.5117816966102382
Energy: 0.6917053949131641
Energy: 0.5086860275986637
Energy: 1.1582931263201564
Energy: 0.508686027599327
Energy: 0.7996844075231287
Energy: 0.5102558243897383
Energy: 1.1591395646242217
Energy: 0.5102558243904016
Energy: 0.6191910187727099
Energy: 0.5139469058305335
Energy: 0.9915594645789472
Energy: 0.5139469058305335
Energy: 0.6007073626449306
Energy: 0.508769635367433
Energy: 1.244022581312472
Energy: 0.5087696353680964
Energy: 0.609394780752052
Energy: 0.5116362854950638
Energy: 1.1612509772077921
Energy: 0.5116362854957271
Energy: 0.5207916722825946
Energy: 0.5127212118921091
Energy: 1.1650837626310058
Energy: 0.5127212118914458
Energy: 0.5086774799817734
Energy: 0.5087959256267375
Energy: 1.2452462948645189
Energy: 0.5087959256274008
Energy: 0.5189857153774865
Energy: 0.5121864100938224
Energy: 1.0772773157634716
Energy: 0.5121864100938224
Energy: 0.6122274578369682
Energy: 0.5111181679165008
Energy: 1.2508310311016284
Energy: 0.5111181679165008
Energy: 0.5988692953401445
Energy: 0.5085405868631354
Energy: 1.2468464161558084
Energy: 0.5085405868618087
Energy: 0.6117691139687914
Energy: 0.5135852511019735
Energy: 1.0802722721597844
Energy: 0.5135852511026368
Energy: 0.8051008374060973
Energy: 0.510875751149966
Energy: 1.0725320922285715
Energy: 0.5108757511519562
Energy: 0.7975096214591784
Energy: 0.5089842644074482
Energy: 1.1603631263969658
Energy: 0.5089842644074482
Energy: 0.8135563222412652
Energy: 0.5120972091411881
Energy: 0.9448771288781916
Energy: 0.5120972090954766
Energy: 0.9856921717597649
Energy: 0.6874303584473033
Energy: 1.0842961301360898
Energy: 0.68743035844664
Energy: 0.796333720087087
Energy: 0.5547196913349424
Energy: 0.9864524369742634
Energy: 0.5547196913362691
Energy: 0.9934686721493117
Energy: 0.5626872856274969
Energy: 0.9452618719803477
Energy: 0.5626872856268336
Energy: 0.9879247114430719
Energy: 0.5101254537342779
Energy: 0.987852268813813
Energy: 0.5101254538085136
Energy: 0.9848996614552156
Energy: 0.5091703531088966
Energy: 0.7983032369504593
Energy: 0.5091703531102233
Energy: 1.1689527889332474
Energy: 0.5085673098161014
Energy: 0.691478356883144
Energy: 0.5085673098174281
Energy: 0.9908046907668592
Energy: 0.5138716084507207
Energy: 0.809453817243398
Energy: 0.513871608451384
Energy: 1.1594968895184994
Energy: 0.5110201980457699
Energy: 0.6169744323217456
Energy: 0.5110201980451066
Energy: 1.1585151977176622
Energy: 0.5103049023564523
Energy: 0.6166314604912451
Energy: 0.5103049023551256
Energy: 1.3594860546188936
Energy: 0.5140356811769974
Energy: 0.6235212000118407
Energy: 0.5140356811763341
Energy: 1.2476596490304297
Energy: 0.5123569382489036
Energy: 0.5154674249927074
Energy: 0.5123569382482402
Energy: 1.2435658162235654
Energy: 0.5103481610866474
Energy: 0.5120002882087656
Energy: 0.5103481610879741

minimum gb energy = 0.5085405868618087 eV
minimum distance =  2.29860719056355 Angstroms
sigma value = 85


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

Energy: 1.3712720164851513
Energy: 0.458715660591405
Energy: 0.6200001713382954
Energy: 0.48293570733471963
Energy: 1.1912731343498542
Energy: 0.46052443248864067
Energy: 0.5542227323299236
Energy: 0.460524432490942
Energy: 1.1521669315879244
Energy: 0.46029284265301873
Energy: 0.5372933151893328
Energy: 0.460292842653594
Energy: 0.9948295500239874
Energy: 0.4588288316111922
Energy: 0.7149153801510575
Energy: 0.4588288316106169
Energy: 1.1218800379911278
Energy: 0.4585793870870748
Energy: 0.7121807961637561
Energy: 0.4585793870864995
Energy: 0.9970695268061454
Energy: 0.4593472271444798
Energy: 0.7214462853439344
Energy: 0.45934722714390447
Energy: 0.9959009119879356
Energy: 0.45959257340265536
Energy: 0.8882464381429378
Energy: 0.45959257340208004
Energy: 1.039720063088655
Energy: 0.458896876730815
Energy: 0.7798320553006621
Energy: 0.45889687673023954
Energy: 1.0008676294042351
Energy: 0.4595257487285986
Energy: 0.8822131428875578
Energy: 0.45952574872802326
Energy: 0.9993256887524357
Energy: 0.5389380548778341
Energy: 1.0380089697814674
Energy: 0.5389380548646014
Energy: 0.8820574449418711
Energy: 0.45899458713917984
Energy: 1.0094245177270966
Energy: 0.4589945871345772
Energy: 0.8427669553361895
Energy: 0.4584764508677872
Energy: 1.03858209701034
Energy: 0.4584764508672119
Energy: 0.8816154073363228
Energy: 0.4584016845181441
Energy: 1.0753145457080158
Energy: 0.4584016845175688
Energy: 0.7123120498078388
Energy: 0.4603566697385997
Energy: 0.9164857924456193
Energy: 0.4603566697368737
Energy: 0.6687045711705422
Energy: 0.4589227073349125
Energy: 1.1891846065693674
Energy: 0.45892270733548785
Energy: 0.7112345219095508
Energy: 0.4606669468077169
Energy: 1.077143387509319
Energy: 0.4606669468077169
Energy: 0.5479721878382507
Energy: 0.45865599596861495
Energy: 1.0737779465782922
Energy: 0.45865599596861495
Energy: 0.5518874599615772
Energy: 0.45834086051474426
Energy: 1.1924839351880183
Energy: 0.4583408605153196
Energy: 0.5465156745349206
Energy: 0.45909928530672783
Energy: 1.2243346087502012
Energy: 0.45909928530557714
Energy: 0.4967382994299841
Energy: 0.45893556978639866
Energy: 1.2243291777264391
Energy: 0.45893556978639866
Energy: 0.4967752507926211
Energy: 0.4565186819783365
Energy: 1.2653953761592716
Energy: 0.4565186819783365
Energy: 0.49873764430951195
Energy: 0.4563525055427404
Energy: 1.111993585758143
Energy: 0.4563525055427404
Energy: 0.5818865074050505
Energy: 0.45909021705109543
Energy: 1.260898448199764
Energy: 0.4590902170505201
Energy: 0.5778998214181084
Energy: 0.45821862617522036
Energy: 1.2619013777985248
Energy: 0.45821862617464504
Energy: 0.5823766439578664
Energy: 0.4564181455805933
Energy: 1.125854767331949
Energy: 0.4564181455805933
Energy: 0.7210011209246496
Energy: 0.4586528670449304
Energy: 1.1522910060604765
Energy: 0.45865286704550573
Energy: 0.7190918151939735
Energy: 0.4580395970868625
Energy: 1.1521828096764393
Energy: 0.4580395970851627
Energy: 0.8183440430572804
Energy: 0.46029043081759474
Energy: 1.0585180178079983
Energy: 0.46029043081644405
Energy: 0.8819533394760141
Energy: 0.4579791879677474
Energy: 1.114998614387728
Energy: 0.4579791879683227
Energy: 0.8813465338783764
Energy: 0.45802497143752313
Energy: 0.9974629158144692
Energy: 0.45802497144730375
Energy: 0.9722988330640949
Energy: 0.5398222418468274
Energy: 0.8413144048508386
Energy: 0.539822241846252
Energy: 0.9179641162765281
Energy: 0.5395774603474035
Energy: 1.0155462220781
Energy: 0.5395774603474035
Energy: 1.0386346785362337
Energy: 0.6006915651101966
Energy: 0.8391168511061922
Energy: 0.6006915651096212
Energy: 1.094855357094267
Energy: 0.45928267706523124
Energy: 0.8400464098305152
Energy: 0.4592826770658066
Energy: 1.007140160151839
Energy: 0.6403135889059143
Energy: 0.8723777345032002
Energy: 0.6403135889070649
Energy: 1.1911226262642491
Energy: 0.45864715080033724
Energy: 0.712032502505075
Energy: 0.4586471508009125
Energy: 1.2268997253257752
Energy: 0.4596620867115854
Energy: 0.7145120945083744
Energy: 0.45966208671216074
Energy: 1.0737164077346593
Energy: 0.4593013210588202
Energy: 0.5436784755414016
Energy: 0.4593013210588202
Energy: 1.2671908351040315
Energy: 0.4589564446949053
Energy: 0.5388904873987557
Energy: 0.45895644469432995
Energy: 1.2246167193978421
Energy: 0.46164140305700824
Energy: 0.5437796146201095
Energy: 0.4616414030575836
Energy: 1.072621717306729
Energy: 0.4591496214148374
Energy: 0.4607542748207078
Energy: 0.4591496214148374
Energy: 1.2659731659832743
Energy: 0.45935682364038016
Energy: 0.45954181936757044
Energy: 0.45935682364038016
Energy: 1.149862379043662
Energy: 0.46331491693738125
Energy: 0.45896057708697363
Energy: 0.4633149169368059

minimum gb energy = 0.4563525055427404 eV
minimum distance =  2.29826786373583 Angstroms
sigma value = 113


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

Energy: 0.015405947659848639
Energy: 0.38354342375283834
Energy: 0.9502410615274842
Energy: 0.016200581739864616
Energy: 0.6700359307782515
Energy: 0.10576939814301342
Energy: 0.6732999718404766
Energy: 0.10576939814301342
Energy: 0.015960846362982672
Energy: 0.10420689296538976
Energy: 0.6718120299353224
Energy: 0.10420689296538976
Energy: 0.017058533019920497
Energy: 0.10614799686761642
Energy: 0.6730326113183546
Energy: 0.10614799686631414
Energy: 0.6718492028763707
Energy: 0.10623843949746666
Energy: 0.6721102630381852
Energy: 0.10623843949746666
Energy: 0.015857773840699863
Energy: 0.10405324497255343
Energy: 0.6710493821601639
Energy: 0.10405324497299571

minimum gb energy = 0.015405947659848639 eV
minimum distance =  2.52518981759248 Angstroms
sigma value = 1