Model name: model_name=Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000
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=3.615000136196613
cohesive_energy=3.540278378030674
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=[1.450064382191406e-19, 2.2218985560312e-19, 2.8001080814754597e-19, 3.2501434761997194e-19, 3.61112989360626e-19, 3.9086540945400596e-19, 4.1578886917250993e-19, 4.367950070208839e-19, 4.54813085446848e-19, 4.70746732071978e-19, 4.85161515248076e-19, 4.98281739703902e-19, 5.10166685974914e-19, 5.208371823573539e-19, 5.303140571474639e-19, 5.38624547348022e-19, 5.457974921384399e-19, 5.5185371981495995e-19, 5.5682367173362795e-19, 5.60747402310294e-19, 5.63672976843978e-19, 5.65669288929942e-19, 5.6680843651671595e-19, 5.67170528436e-19, 5.667908125737419e-19, 5.6557636268517e-19, 5.63387789403126e-19, 5.6004885329787e-19, 5.553384539939099e-19, 5.48984221463466e-19, 5.40624063787254e-19, 5.29801360624584e-19, 5.1592490879751e-19, 4.9826892229082995e-19, 4.75963419192282e-19, 4.47983006456106e-19, 4.13066771071344e-19, 3.69530825395662e-19, 3.14976711007962e-19, 2.4603985697684397e-19, 1.5817056231473818e-19, 4.535649898489619e-20, -1.002983401180242e-19, -2.89780881261678e-19, -5.394961314369179e-19, -8.7268157989029e-19, -1.321846992702288e-18, -1.9412773185861e-18, -2.8278257372436595e-18, -4.15178439874956e-18, -6.214458640893839e-18, -9.63174118355244e-18, -1.5870328604554318e-17, -2.8789511936346e-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: 0.013653325459609301
Energy: 0.09842891991215667
Energy: 0.6377940696657781
Energy: 0.01440979571473254
Energy: 0.09842891991215667
Energy: 0.7505739821618371
Energy: 0.014409795714105323
Energy: 0.7505739821643113
Energy: 0.637794069670064
Energy: 0.014409795714105323
Energy: 0.013653325459609301
Energy: 0.09842891991215667
Energy: 0.014409795714105323
Energy: 0.7505739821643113
Energy: 0.09842891991152947
Energy: 0.7505739821606177

minimum gb energy = 0.013653325459609301 eV
minimum distance =  2.49305042830628 Angstroms
sigma value = 1


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

Energy: 1.2214002273605469
Energy: 0.8386489527780013
Energy: 0.839779336908105
Energy: 0.7831294072827881
Energy: 0.8022879723781456
Energy: 0.8581445815062567
Energy: 0.8024846660366803
Energy: 0.8581445815062567
Energy: 0.8397600347958116
Energy: 0.8388882314979265
Energy: 1.323608728638768
Energy: 0.8388882314979265
Energy: 0.8031740744109518
Energy: 0.8010835003052956
Energy: 0.8020905013872598
Energy: 0.8010835003060562
Energy: 1.1366759457364364
Energy: 0.8014919759630381
Energy: 0.8037466824887113
Energy: 0.8014919759630381
Energy: 0.8074230790632595
Energy: 0.9067415666493438
Energy: 0.8017725096947942
Energy: 0.9067415666493438
Energy: 0.8471482911064712
Energy: 0.8712444720929114
Energy: 0.8457394403024281
Energy: 0.8712444720929114
Energy: 0.8485767314236211
Energy: 0.8684621882195624
Energy: 0.8746091437565755
Energy: 0.868462188218802
Energy: 0.863079640372095
Energy: 0.911030997950875
Energy: 0.8637905665391262
Energy: 0.911030997950875
Energy: 0.8717486688736826
Energy: 0.8990162357103588
Energy: 0.863931863429227
Energy: 0.8990162357103588
Energy: 0.8614494280625538
Energy: 0.9105755867129345
Energy: 0.8633348623747727
Energy: 0.9105755867129345
Energy: 0.8471699266209631
Energy: 0.9095021642106081
Energy: 0.877447805191674
Energy: 0.9095021642106081
Energy: 0.86629581770933
Energy: 0.8707933022071158
Energy: 0.8229760339063804
Energy: 0.8707933022071158
Energy: 0.8072977933943801
Energy: 0.8719242922638191
Energy: 0.8481741240028087
Energy: 0.8719242922638191
Energy: 0.8238588712796112
Energy: 0.800938361271289
Energy: 0.8007809784033338
Energy: 0.800938361271289
Energy: 0.8282127297941656
Energy: 0.8025525398270816
Energy: 0.8019675824994754
Energy: 0.8025525398263209
Energy: 0.8388755745915869
Energy: 0.8380887467898939
Energy: 0.7791099126572043
Energy: 0.8380887467898939
Energy: 0.8024021343744956
Energy: 0.8018368998805364
Energy: 0.8224678981174166
Energy: 0.801836899881297
Energy: 0.8028101709360846
Energy: 0.8392608033616942
Energy: 0.839779575059582
Energy: 0.8392608033609334
Energy: 0.8035493922221244
Energy: 0.8016118435596624
Energy: 0.8032334004483758
Energy: 0.8016118435596624
Energy: 0.8023200481150721
Energy: 0.8038460730693966
Energy: 0.8462049763620897
Energy: 0.8038460730701572
Energy: 0.8022750709418367
Energy: 0.8026928766529992
Energy: 0.8040140807673811
Energy: 0.8026928766537599
Energy: 0.8460999105690747
Energy: 0.8723745689307021
Energy: 0.8460099720873041
Energy: 0.8723745689314629
Energy: 0.8752695077147242
Energy: 0.8722933165524669
Energy: 0.8507168196286448
Energy: 0.8722933165524669
Energy: 0.864721575094398
Energy: 0.9110944360613511
Energy: 0.8631974029301809
Energy: 0.9110944360613511
Energy: 0.8646958914818792
Energy: 0.9083533844869561
Energy: 0.8735151592284983
Energy: 0.9083533844869561
Energy: 0.8631623355563299
Energy: 0.9100042348929522
Energy: 0.861479312872893
Energy: 0.9100042348929522
Energy: 0.8751781733498599
Energy: 0.9092229994449398
Energy: 0.8674540779828441
Energy: 0.9092229994449398
Energy: 0.8241534586021746
Energy: 0.8714928167825751
Energy: 0.8684621061286798
Energy: 0.8714928167825751
Energy: 0.8480538644811607
Energy: 0.8726975392963122
Energy: 0.8561504766543128
Energy: 0.8726975392963122
Energy: 0.8001699346030239
Energy: 0.8006119337988923
Energy: 0.8228811598425252
Energy: 0.8006119337981317
Energy: 0.8020990118006978
Energy: 0.8023937120761296
Energy: 0.8280983582297825
Energy: 0.8023937120761296
Energy: 0.7793070363543265
Energy: 0.8036837566506784
Energy: 0.8401836134216847
Energy: 0.8036837566506784

minimum gb energy = 0.7791099126572043 eV
minimum distance =  2.27849955113365 Angstroms
sigma value = 1


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

Energy: 1.384511102134944
Energy: 0.8839611513668805
Energy: 0.8843655977688138
Energy: 0.8210148351534473
Energy: 0.844838602064471
Energy: 0.9015876912111164
Energy: 0.8441421593429277
Energy: 0.9015876912111164
Energy: 0.8838727899558999
Energy: 0.8846100181073074
Energy: 1.2750352335943083
Energy: 0.8846100181073074
Energy: 0.8471838266237378
Energy: 0.8444408614825317
Energy: 0.8440412889762968
Energy: 0.8444408614816644
Energy: 0.8455011406945095
Energy: 0.8452980182614388
Energy: 0.8445063974227381
Energy: 0.8452980182614388
Energy: 0.8477027189957693
Energy: 0.9445605952956702
Energy: 0.8456193573060502
Energy: 0.9445605952948029
Energy: 0.8996666862255859
Energy: 0.9261682733493566
Energy: 0.8958899554288414
Energy: 0.9261682733502239
Energy: 0.8974855660378437
Energy: 0.929540808504395
Energy: 0.8742543011162174
Energy: 0.9295408085052623
Energy: 0.897309668583919
Energy: 0.9643935093102787
Energy: 0.9091962032913006
Energy: 0.9643935093094113
Energy: 0.9253307898677462
Energy: 0.9658462923579114
Energy: 0.8997836399129135
Energy: 0.9658462923579114
Energy: 0.8712624455491992
Energy: 0.925892037515047
Energy: 0.9005247882798415
Energy: 0.9258920375141798
Energy: 0.8985209408854019
Energy: 0.9277293565695693
Energy: 0.8478472211541503
Energy: 0.9277293565695693
Energy: 0.8443671567267437
Energy: 0.8442836216001269
Energy: 0.8720001620978091
Energy: 0.8442836216009942
Energy: 0.843256137243902
Energy: 0.8441326964427075
Energy: 0.816322670694964
Energy: 0.8441326964427075
Energy: 0.8156519868291174
Energy: 0.8835648169408574
Energy: 0.8849520355282939
Energy: 0.8835648169408574
Energy: 0.8725659709061406
Energy: 0.8444710470007402
Energy: 0.8437830724773828
Energy: 0.8444710470016074
Energy: 0.8840004596859826
Energy: 0.8842818007357429
Energy: 0.8449584765175712
Energy: 0.8842818007366102
Energy: 0.8469806045846712
Energy: 0.8442012868474311
Energy: 0.846755955292055
Energy: 0.8442012868465638
Energy: 0.8445240289372067
Energy: 0.8474744443841735
Energy: 0.8466492358596672
Energy: 0.8474744443841735
Energy: 0.8475985241446341
Energy: 0.8452996522026368
Energy: 0.8453902462358955
Energy: 0.8452996522026368
Energy: 0.8968249801036049
Energy: 0.9280660642111629
Energy: 0.8960594529108693
Energy: 0.9280660642111629
Energy: 0.8960790206225262
Energy: 0.9275436470628389
Energy: 0.8753230338123316
Energy: 0.9275436470628389
Energy: 0.8969142748533149
Energy: 0.9647537495920829
Energy: 0.9101899951085203
Energy: 0.9647537495920829
Energy: 0.9250476007143266
Energy: 0.9635120060792719
Energy: 0.9181946196648407
Energy: 0.9635120060792719
Energy: 0.8724955645414324
Energy: 0.9263809468504889
Energy: 0.9301650830534892
Energy: 0.9263809468504889
Energy: 0.89849276946032
Energy: 0.9265654102645052
Energy: 0.8489044260423453
Energy: 0.9265654102645052
Energy: 0.8436997830050819
Energy: 0.8438463387361382
Energy: 0.872633893711019
Energy: 0.8438463387361382
Energy: 0.8431808709105826
Energy: 0.8443105952416561
Energy: 0.8161203925077991
Energy: 0.8443105952407887
Energy: 0.815680661839237
Energy: 0.8469176615731248
Energy: 0.8865996571132945
Energy: 0.8469176615480125

minimum gb energy = 0.8156519868291174 eV
minimum distance =  2.27563312410397 Angstroms
sigma value = 25


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

Energy: 1.3247207185813592
Energy: 0.9334675059308692
Energy: 0.9335570407942065
Energy: 0.8606557381498784
Energy: 0.8952901970602237
Energy: 0.948132466706499
Energy: 0.8950355809802811
Energy: 0.948132466706499
Energy: 0.9330474581581223
Energy: 0.9335489398308446
Energy: 0.8924687685876376
Energy: 0.9335489398298364
Energy: 0.8966255243740361
Energy: 0.8933984922021175
Energy: 0.8949046719325351
Energy: 0.8933984922011093
Energy: 0.894681685300781
Energy: 0.8937437054668376
Energy: 0.8940460830639716
Energy: 0.8937437054668376
Energy: 0.897153842329297
Energy: 0.8948021420213094
Energy: 0.8930931662649515
Energy: 0.8948021420213094
Energy: 0.9458890535248113
Energy: 0.9933622709286296
Energy: 0.9438679233414312
Energy: 0.9933622709286296
Energy: 0.9446853111042779
Energy: 0.9952719199921041
Energy: 0.8698519473222908
Energy: 0.9952719199921041
Energy: 0.9453105345603582
Energy: 0.992946743864621
Energy: 0.9311480845613744
Energy: 0.992946743864621
Energy: 0.897685561049336
Energy: 0.9936905546688144
Energy: 0.8933373801845698
Energy: 0.9936905546688144
Energy: 0.8546919009298682
Energy: 0.8940432155434751
Energy: 0.8939413796741938
Energy: 0.8940432155414586
Energy: 0.8552220756803267
Energy: 0.8932734986476504
Energy: 0.8941000484201256
Energy: 0.8932734986486586
Energy: 0.9328083620048553
Energy: 0.9337824020794507
Energy: 0.8544286806727128
Energy: 0.9337824020794507
Energy: 0.8947130677718734
Energy: 0.8944017089365909
Energy: 0.932620029394862
Energy: 0.8944017089365909
Energy: 0.8924967805744222
Energy: 0.9346876562896028
Energy: 0.934968757807196
Energy: 0.9346876562896028
Energy: 0.8952701175717843
Energy: 0.8930289940805288
Energy: 0.896152550061135
Energy: 0.8930289940805288
Energy: 0.8968571296178257
Energy: 0.8971684515514072
Energy: 0.8945948681410191
Energy: 0.897168451550399
Energy: 0.8931139651174561
Energy: 0.8936944462188297
Energy: 0.8959960838146798
Energy: 0.8936944462188297
Energy: 0.9438487274285176
Energy: 0.9953929655959387
Energy: 0.9492406266692596
Energy: 0.9953929655959387
Energy: 0.8699760933637247
Energy: 0.9943730830415941
Energy: 0.9464526498146972
Energy: 0.9943730830426023
Energy: 0.9318875586060917
Energy: 0.9928023911113742
Energy: 0.9455905476208925
Energy: 0.9928023911113742
Energy: 0.9322770678584975
Energy: 0.9928581531590145
Energy: 0.8975212243117265
Energy: 0.9928581531580062
Energy: 0.8931132730779802
Energy: 0.8929846954685755
Energy: 0.8547763086938238
Energy: 0.8929846954695837
Energy: 0.893420385436367
Energy: 0.8931647795837904
Energy: 0.8550223690496969
Energy: 0.8931647795837904
Energy: 0.854258940246699
Energy: 0.8960388187711745
Energy: 0.9346859480002235
Energy: 0.8960388187701663

minimum gb energy = 0.854258940246699 eV
minimum distance =  2.28597516309739 Angstroms
sigma value = 9


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

Energy: 1.235203251143843
Energy: 0.9876088570574618
Energy: 0.9879562185681281
Energy: 0.9027595691756128
Energy: 0.9530664852538198
Energy: 0.995765879932704
Energy: 0.9530994596025347
Energy: 0.9957658799315012
Energy: 0.9873860915267849
Energy: 0.9871592705223948
Energy: 0.9861137690319091
Energy: 0.9871592705223948
Energy: 0.9483347003941884
Energy: 0.9959350796150057
Energy: 0.9534226806161779
Energy: 0.9959350796150057
Energy: 0.9508194369744806
Energy: 0.9517150175662132
Energy: 0.9523636038809657
Energy: 0.9517150175662132
Energy: 0.9496120526979548
Energy: 0.9543664090395602
Energy: 0.954113589892034
Energy: 0.954366409040763
Energy: 1.0037522010154394
Energy: 1.0698239165754728
Energy: 0.9534260448048295
Energy: 1.0698239165754728
Energy: 0.954620474350401
Energy: 1.0702661719327269
Energy: 0.9536028215348349
Energy: 1.0702661719339297
Energy: 0.9502439171309565
Energy: 0.9522201551122419
Energy: 0.8929175743768546
Energy: 0.9522201551122419
Energy: 0.9533701005002024
Energy: 0.9517705819036157
Energy: 0.893176794807375
Energy: 0.9517705819036157
Energy: 0.8926036699533973
Energy: 0.9880008268640504
Energy: 0.9865738048883874
Energy: 0.9880008268652534
Energy: 0.9985494022242174
Energy: 0.9506286362857427
Energy: 0.9533488893006956
Energy: 0.9506286362857427
Energy: 0.9873356804769102
Energy: 0.988228821638656
Energy: 0.9861425074381142
Energy: 0.988228821638656
Energy: 0.9881279286053017
Energy: 0.9514459167982949
Energy: 0.9866698722692081
Energy: 0.9514459167982949
Energy: 0.9510786246774198
Energy: 0.9517146843406217
Energy: 0.9543972950621628
Energy: 0.9517146843406217
Energy: 0.9496696895969973
Energy: 0.9524425414426582
Energy: 0.9539671451936158
Energy: 0.9524425414426582
Energy: 1.0005264163060013
Energy: 1.0705409884739598
Energy: 0.952986807934229
Energy: 1.0705409884739598
Energy: 0.9990137560756812
Energy: 1.0702236452149305
Energy: 0.9539164711184397
Energy: 1.0702236452149305
Energy: 0.9495650437999387
Energy: 0.9519126210490145
Energy: 0.8928523472816723
Energy: 0.9519126210490145
Energy: 0.9539575042919003
Energy: 0.9524572790910741
Energy: 0.8930539021766805
Energy: 0.9524572790910741
Energy: 0.891946730573404
Energy: 0.9481384320185081
Energy: 0.9907744062628581
Energy: 0.9481384320185081

minimum gb energy = 0.891946730573404 eV
minimum distance =  2.30542555849539 Angstroms
sigma value = 25


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

Energy: 1.1079679383928216
Energy: 1.048140028664863
Energy: 1.0491566358378417
Energy: 0.9445060671481889
Energy: 1.0675441213508328
Energy: 1.0098543279978318
Energy: 0.9612767436273343
Energy: 1.0098543279978318
Energy: 1.0477141498618041
Energy: 1.0480850313514094
Energy: 1.0466438682325625
Energy: 1.0480850313514094
Energy: 1.0483822387844577
Energy: 1.0104215836696733
Energy: 0.9617807541732928
Energy: 1.0104215836696733
Energy: 0.9588839000810309
Energy: 1.0282703412536927
Energy: 0.9620870816475597
Energy: 1.0282703412536927
Energy: 0.9370059857416094
Energy: 0.9631112296469688
Energy: 0.9597337320686327
Energy: 0.9631112296469688
Energy: 0.9327615838480736
Energy: 0.9605998928382791
Energy: 0.962653011816871
Energy: 0.9605998928382791
Energy: 0.932988670716793
Energy: 1.0110739871136227
Energy: 0.9647653686155798
Energy: 1.0110739871136227
Energy: 1.0466694900854872
Energy: 1.047750951335769
Energy: 1.1582159247405817
Energy: 1.047750951335769
Energy: 1.0694598300351867
Energy: 0.9389777569151068
Energy: 1.0437128969887506
Energy: 0.9389777569151068
Energy: 1.0472292797277811
Energy: 1.048199523435381
Energy: 1.0514793560585256
Energy: 1.048199523435381
Energy: 1.0459663192189421
Energy: 1.0122278642740392
Energy: 1.0482481725682056
Energy: 1.0122278642740392
Energy: 0.9607237321236572
Energy: 1.0763603714408625
Energy: 0.9587354157920468
Energy: 1.0763603714408625
Energy: 0.96183903529455
Energy: 1.0276369438310837
Energy: 0.939034671759477
Energy: 1.0276369438370334
Energy: 1.0209970665496064
Energy: 1.0269566966316692
Energy: 0.9327746258194543
Energy: 1.0269566966331567
Energy: 0.960716363230357
Energy: 1.073240631851018
Energy: 0.9327878570937637
Energy: 1.073240631851018
Energy: 1.1519317908540434
Energy: 0.9381022393856344
Energy: 1.0519459573350274
Energy: 0.9381022393856344

minimum gb energy = 0.9327615838480736 eV
minimum distance =  2.34110416128765 Angstroms
sigma value = 17


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

Energy: 1.5111034915693902
Energy: 1.1456908981179617
Energy: 1.1449302648352948
Energy: 1.080788356562823
Energy: 1.0098699925190155
Energy: 1.0344229005847487
Energy: 1.089424502658373
Energy: 1.0344229005847487
Energy: 1.018926021357354
Energy: 1.0188705766029709
Energy: 1.157286520522328
Energy: 1.0188705766029709
Energy: 1.0190022211317211
Energy: 1.1217215889916476
Energy: 1.030567019847203
Energy: 1.1217215889916476
Energy: 1.018756407727821
Energy: 1.1066770994286605
Energy: 0.961662257081388
Energy: 1.1066770994286605
Energy: 1.0189614594319276
Energy: 1.0721512487506284
Energy: 1.0186281033952556
Energy: 1.0721512487523133
Energy: 1.0707637447502154
Energy: 1.0174989125060094
Energy: 1.0194095382654134
Energy: 1.0174989125060094
Energy: 1.2118263050284905
Energy: 1.0179598792670297
Energy: 0.9824271537225748
Energy: 1.0179598792670297
Energy: 1.150217109844862
Energy: 1.1447342105187108
Energy: 1.1510154271297004
Energy: 1.1447342105187108
Energy: 1.1508336518790059
Energy: 1.09353972296381
Energy: 1.1066701655620026
Energy: 1.0935397229646526
Energy: 1.0161964665148238
Energy: 0.9823689302668681
Energy: 0.9795974956373364
Energy: 0.9823689302668681
Energy: 1.0878997801187913
Energy: 1.0122355309192304
Energy: 0.9834981122659735
Energy: 1.0122355309200728
Energy: 1.0708548338721107
Energy: 1.012314722881095
Energy: 1.0107926769443158
Energy: 1.01231472288278
Energy: 1.070811028849309
Energy: 1.0123685633474127
Energy: 0.9802480850030927
Energy: 1.012368562749537
Energy: 1.1498478440393873
Energy: 1.0751117635282912
Energy: 1.22281702374347
Energy: 1.0751117635282912
Energy: 1.1488122977640622
Energy: 1.145265507171354
Energy: 1.2267244355514149
Energy: 1.145265507171354
Energy: 1.1464600449736284
Energy: 1.0182273726278859
Energy: 1.018957973739178
Energy: 1.0182273726287283
Energy: 1.1438931189937611
Energy: 1.0182040082301516
Energy: 1.0159962191294305
Energy: 1.0182040082309938
Energy: 1.0193792365194483
Energy: 1.1067298361422424
Energy: 1.0182771446310688
Energy: 1.1067298361422424
Energy: 1.05802600989508
Energy: 1.0748001849344064
Energy: 1.0188486614245182
Energy: 1.0748001849377762
Energy: 1.0182719203012376
Energy: 1.031294493685224
Energy: 1.1757037889826638
Energy: 1.0312944936860664
Energy: 1.0193446906076458
Energy: 1.0193244415087004
Energy: 1.0725425861561608
Energy: 1.0193244415070155
Energy: 1.0892627982965484
Energy: 1.0923129026328275
Energy: 1.0973425253633484
Energy: 1.092312902631985
Energy: 1.1535854792881757
Energy: 1.1447633382564604
Energy: 1.145140742414621
Energy: 1.1447633382564604
Energy: 0.9864496821717474
Energy: 1.013637337371236
Energy: 1.1448094932012074
Energy: 1.0136373373720784
Energy: 0.9832263121664712
Energy: 1.0125602103837426
Energy: 1.0160032570981103
Energy: 1.0125602103837426
Energy: 0.9792896857099676
Energy: 0.9821539216561155
Energy: 1.0729944156101032
Energy: 0.9821539216561155
Energy: 0.9876393772288932
Energy: 1.0104563757288805
Energy: 1.0706729173058471
Energy: 1.0104563757246685
Energy: 0.9811854652818709
Energy: 1.011223273112618
Energy: 1.0712234318994165
Energy: 1.011223273112618
Energy: 1.2415712788824995
Energy: 1.1445576578139842
Energy: 1.1456462258758093
Energy: 1.1445576578131418

minimum gb energy = 0.961662257081388 eV
minimum distance =  2.29726774920004 Angstroms
sigma value = 53


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

Energy: 1.3790540607955393
Energy: 1.0813232240094566
Energy: 1.0829695525520058
Energy: 0.9377443490631594
Energy: 1.0794237395330535
Energy: 0.9886062493353259
Energy: 1.0761477653274347
Energy: 0.9886062493353259
Energy: 1.0807511411287103
Energy: 1.0794762662620039
Energy: 1.078938116864773
Energy: 1.0794762662639432
Energy: 1.0784060921258805
Energy: 0.9898081158122484
Energy: 1.0790567086129517
Energy: 0.9898081158122484
Energy: 1.0828358053038163
Energy: 0.9890771065645888
Energy: 0.9243001962122341
Energy: 0.9890771065645888
Energy: 1.0783106095952124
Energy: 0.9927264459765451
Energy: 0.9407597691813373
Energy: 0.9927264459765451
Energy: 1.2175659848784142
Energy: 1.0766973581057804
Energy: 1.0761078872567666
Energy: 1.0766973581057804
Energy: 1.2191933830077812
Energy: 0.9913404259606238
Energy: 1.0770724955074222
Energy: 0.9913404259606238
Energy: 1.0791574983705543
Energy: 1.0780681419661677
Energy: 1.0946149847543682
Energy: 1.0780681419661677
Energy: 1.0777807892754507
Energy: 0.991446026994891
Energy: 1.0775639945307591
Energy: 0.9914460269968303
Energy: 1.0800621133564081
Energy: 0.9940794522661099
Energy: 0.9439933545194192
Energy: 0.9940794522661099
Energy: 1.0781002269382525
Energy: 0.9889563646964701
Energy: 0.9243795709974211
Energy: 0.9889563646984093
Energy: 1.2184613343681918
Energy: 1.0820356956392867
Energy: 1.0768410662967085
Energy: 1.082035695641226

minimum gb energy = 0.9243001962122341 eV
minimum distance =  2.32340497474957 Angstroms
sigma value = 9


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

Energy: 1.3415584776746348
Energy: 1.1985465330519967
Energy: 1.2022643763471097
Energy: 1.1157624414346814
Energy: 1.0052713301943512
Energy: 1.0032339581080425
Energy: 1.1994203368430467
Energy: 1.0032339581080425
Energy: 1.0128039490520078
Energy: 1.0071592803353475
Energy: 1.1822848022252863
Energy: 1.0071592803346299
Energy: 1.009624400522299
Energy: 1.0059245506990238
Energy: 1.1998391790741978
Energy: 1.0059245506983059
Energy: 1.0043391294014261
Energy: 1.002912850716163
Energy: 1.2616360328134384
Energy: 1.002912850730519
Energy: 1.0029821822998466
Energy: 1.0032275177122472
Energy: 1.260643967215829
Energy: 1.0032275177129648
Energy: 1.1975118383932342
Energy: 1.1832732876361527
Energy: 1.1962354500005252
Energy: 1.1832732876354348
Energy: 1.1950461150744052
Energy: 1.1845939093647841
Energy: 1.183552067286453
Energy: 1.1845939093640663
Energy: 1.0523117575613068
Energy: 1.1259716703498912
Energy: 1.0782312026635124
Energy: 1.1259716703585048
Energy: 1.004698054936073
Energy: 1.085608607872022
Energy: 1.1859174413262126
Energy: 1.085608607872022
Energy: 1.051194402189214
Energy: 1.0518720983324006
Energy: 1.1020639717671736
Energy: 1.0518720983324006
Energy: 1.0631722444581773
Energy: 1.118461106210471
Energy: 1.2607300100352978
Energy: 1.1184611062097534
Energy: 1.19540364480826
Energy: 1.051884954772973
Energy: 1.0685189560694701
Energy: 1.051884954772973
Energy: 1.195523052906812
Energy: 1.0518614045469472
Energy: 1.0543736004569186
Energy: 1.0518614045469472
Energy: 1.183271498413686
Energy: 1.0716309759645455
Energy: 1.0621285540314325
Energy: 1.0716309759638278
Energy: 1.1032357548140024
Energy: 1.1296343059685476
Energy: 1.0626481456705328
Energy: 1.1296343059685476
Energy: 1.1876318980077951
Energy: 1.1067743782026362
Energy: 1.0542811264488496
Energy: 1.1067743782026362
Energy: 1.1986747355913063
Energy: 1.1854507175330247
Energy: 1.3381896210830004
Energy: 1.1854507175330247
Energy: 1.1990827359032759
Energy: 1.003183349621348
Energy: 1.0062943068002546
Energy: 1.003183349621348
Energy: 1.251139709903163
Energy: 1.0087705714711934
Energy: 1.0140312244333154
Energy: 1.008770571471911
Energy: 1.1998625813795474
Energy: 1.0048800344910933
Energy: 1.0069081752804525
Energy: 1.0048800344903752
Energy: 1.260916525163522
Energy: 1.002710015368521
Energy: 1.0033610587774873
Energy: 1.002710015368521
Energy: 1.2612832412332697
Energy: 1.0036927248668197
Energy: 1.0029079241208498
Energy: 1.0036927248668197
Energy: 1.1979764960830346
Energy: 1.183142297775101
Energy: 1.1962258876570784
Energy: 1.183142297775101
Energy: 1.1828386689280856
Energy: 1.1827787655343436
Energy: 1.1953332093758358
Energy: 1.1827787655357789
Energy: 1.065158359211572
Energy: 1.103875423452541
Energy: 1.052459428837452
Energy: 1.103875423451823
Energy: 1.1867060957921491
Energy: 1.0870748029789983
Energy: 1.004259455099195
Energy: 1.0870748029782804
Energy: 1.1026262493788028
Energy: 1.0519562434130612
Energy: 1.0517842270390199
Energy: 1.0519562434123435
Energy: 1.26124344568703
Energy: 1.061242232300338
Energy: 1.062601908024013
Energy: 1.0612422322996204
Energy: 1.0702151179307324
Energy: 1.0515835238389468
Energy: 1.197095964305025
Energy: 1.0515835238396645
Energy: 1.0563673529790827
Energy: 1.052540044276163
Energy: 1.1816606751835768
Energy: 1.0525400442754451
Energy: 1.058423570092742
Energy: 1.0582285002676426
Energy: 1.1832236276502457
Energy: 1.058228500269078
Energy: 1.063558112322794
Energy: 1.1366592526911041
Energy: 1.1042410630773176
Energy: 1.1366592526911041
Energy: 1.0534695804022816
Energy: 1.106594339858854
Energy: 1.1072377826547521
Energy: 1.1065943398581362
Energy: 1.2610229516105238
Energy: 1.1842101206332312
Energy: 1.1885117289481226
Energy: 1.1842101206332312

minimum gb energy = 1.002710015368521 eV
minimum distance =  2.29666670059287 Angstroms
sigma value = 73


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

Energy: 1.276153240116732
Energy: 1.1477168129470587
Energy: 1.147837475228496
Energy: 1.013963972102376
Energy: 1.0089434682962501
Energy: 1.0089920815230473
Energy: 1.1259320578638388
Energy: 1.0089920815230473
Energy: 1.012927522375606
Energy: 1.0112242040317252
Energy: 1.1298125084090307
Energy: 1.011224204032864
Energy: 1.0083094007990727
Energy: 1.0104432322189452
Energy: 1.2345824321924304
Energy: 1.0104432322189452
Energy: 1.0064315761902711
Energy: 1.008402593286013
Energy: 1.2310201379222865
Energy: 1.008402593286013
Energy: 1.0086889422436045
Energy: 1.0080698209740824
Energy: 1.231322368964189
Energy: 1.0080698209740824
Energy: 1.120868717405249
Energy: 1.1207640276277058
Energy: 1.132170344416353
Energy: 1.1207640276277058
Energy: 1.1209210911483762
Energy: 1.1185792776062846
Energy: 1.1163267316218983
Energy: 1.1185792776062846
Energy: 1.1185526700906396
Energy: 1.08202270772197
Energy: 1.1202066557303718
Energy: 1.08202270772197
Energy: 1.0084672407589423
Energy: 1.08319173690094
Energy: 1.1197865511104579
Energy: 1.08319173690094
Energy: 1.1154681537531401
Energy: 1.1205110725843412
Energy: 1.0120265468070053
Energy: 1.1205110725843412
Energy: 1.133585052200985
Energy: 1.1210830905049616
Energy: 1.2296177432111524
Energy: 1.1210830905049616
Energy: 1.1205513672937955
Energy: 1.0081000702880478
Energy: 1.008775290949085
Energy: 1.0081000702880478
Energy: 1.1267234563319088
Energy: 1.0089465410455356
Energy: 1.0079265005297695
Energy: 1.0089465410455356
Energy: 1.2347523206469004
Energy: 1.0116335714272642
Energy: 1.0096588481929072
Energy: 1.0116335714272642
Energy: 1.2312777247274302
Energy: 1.0101374069663505
Energy: 1.0101645070983123
Energy: 1.0101374069663505
Energy: 1.2307352042387936
Energy: 1.0083854489046191
Energy: 1.008796187376561
Energy: 1.0083854489046191
Energy: 1.1409188560878483
Energy: 1.1367991923223681
Energy: 1.1213274317077655
Energy: 1.1367991923212293
Energy: 1.1168111980264317
Energy: 1.0798365057371313
Energy: 1.1216239676867905
Energy: 1.0798365057359924
Energy: 1.11704754222968
Energy: 1.082355397940296
Energy: 1.1206850658763499
Energy: 1.082355397940296
Energy: 1.116202257918265
Energy: 1.0850458473242568
Energy: 1.0090118367174126
Energy: 1.0850458473253957
Energy: 1.2298615013092344
Energy: 1.1176083578331397
Energy: 1.1178950920426456
Energy: 1.1176083578331397

minimum gb energy = 1.0064315761902711 eV
minimum distance =  2.2979681876052 Angstroms
sigma value = 7


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

Energy: 1.773025926561675
Energy: 1.169045407663479
Energy: 1.1691051512713917
Energy: 1.080636113850707
Energy: 1.03104931291963
Energy: 1.0945049310037909
Energy: 1.1340156859756212
Energy: 1.0945049310037909
Energy: 1.02843691336214
Energy: 1.029868161637564
Energy: 1.173117609403239
Energy: 1.0298681616367584
Energy: 1.0273709191911644
Energy: 1.0288917272414533
Energy: 1.233195845337431
Energy: 1.028891727240648
Energy: 1.0286255000836644
Energy: 1.0284561614564443
Energy: 1.220487649342386
Energy: 1.0284561614564443
Energy: 1.0689538750089562
Energy: 1.0294375753009322
Energy: 1.2201069764978987
Energy: 1.0294375753009322
Energy: 1.0778156342225236
Energy: 1.0320364302619696
Energy: 1.0333505596016193
Energy: 1.0320364302619696
Energy: 1.1322516329195416
Energy: 1.0307283781846828
Energy: 1.0296484633700476
Energy: 1.0307283781846828
Energy: 1.2261272219906547
Energy: 1.0334572443344388
Energy: 1.0323016180225997
Energy: 1.0334572443344388
Energy: 1.2033822091866655
Energy: 1.032357608333584
Energy: 1.0304856307339991
Energy: 1.0323576083327786
Energy: 1.2267849952294074
Energy: 1.156521984584505
Energy: 1.0199016773956024
Energy: 1.156521984584505
Energy: 1.1622658886422206
Energy: 1.160478807931418
Energy: 1.1392873112376818
Energy: 1.160478807930613
Energy: 1.1540903156753233
Energy: 1.1206918427479293
Energy: 1.0836683886032938
Energy: 1.1206918427479293
Energy: 1.1578337175871587
Energy: 1.0778738969698782
Energy: 1.0782838178891
Energy: 1.0778738969698782
Energy: 1.1623951682192502
Energy: 1.0388972298387842
Energy: 1.0769305971558623
Energy: 1.0388972298387842
Energy: 1.0347842056304788
Energy: 1.0358271491495412
Energy: 1.0742247274802272
Energy: 1.0358271491495412
Energy: 1.0349315426182422
Energy: 1.036318468935796
Energy: 1.0944541998608508
Energy: 1.036318468935796
Energy: 1.0575068012579494
Energy: 1.1020437985237317
Energy: 1.1772209575058061
Energy: 1.1020437985237317
Energy: 1.0632498228127707
Energy: 1.065166145458704
Energy: 1.087633369778453
Energy: 1.065166145458704
Energy: 1.059060872708399
Energy: 1.0591214702269733
Energy: 1.0324101309446692
Energy: 1.0591214702261682
Energy: 1.062443451689037
Energy: 1.0573389669089037
Energy: 1.1584669954358244
Energy: 1.0573389669056825
Energy: 1.13523891629408
Energy: 1.032789338655778
Energy: 1.032225069055971
Energy: 1.032789338654973
Energy: 1.1400019771575147
Energy: 1.0318308708002017
Energy: 1.0317767390077854
Energy: 1.0318308708002017
Energy: 1.216077217341619
Energy: 1.0311881644894711
Energy: 1.0298334980035608
Energy: 1.0311881644902765
Energy: 1.209359583834419
Energy: 1.032705005069117
Energy: 1.0315857214328172
Energy: 1.032705005069117
Energy: 1.2291552402664054
Energy: 1.095375814087307
Energy: 1.034780944556135
Energy: 1.0953758140865018
Energy: 1.1691930810667919
Energy: 1.1393269051730717
Energy: 1.5526144236955024
Energy: 1.1393269051730717
Energy: 1.1263619066597412
Energy: 1.0939791536863552
Energy: 1.1344130602810898
Energy: 1.0939791536863552
Energy: 1.132136980961975
Energy: 1.0915735434994165
Energy: 1.1258063130602718
Energy: 1.0915735434994165
Energy: 1.129248284137867
Energy: 1.0930411688476838
Energy: 1.078289179774092
Energy: 1.0930411688476838
Energy: 1.0299864925845459
Energy: 1.1279993206413739
Energy: 1.1302642497901538
Energy: 1.1279993206413739

minimum gb energy = 1.0199016773956024 eV
minimum distance =  2.26787382667169 Angstroms
sigma value = 29


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

Energy: 0.9676017433430413
Energy: 1.147437365505124
Energy: 0.9892152562249902
Energy: 0.9695806462554815
Energy: 0.9837177873125884
Energy: 1.0547470811937996
Energy: 0.9896117781539359
Energy: 1.0547470811940802
Energy: 0.9802118364238964
Energy: 1.0391010545767863
Energy: 0.9676765702272015
Energy: 1.0391010545773471
Energy: 0.9716888216495653
Energy: 0.9807001252105653
Energy: 0.9800767697253709
Energy: 0.9807001252102847
Energy: 0.979028265016517
Energy: 0.9827273550418995
Energy: 0.9705334098939753
Energy: 0.9827273550383153
Energy: 0.979273333001295
Energy: 1.0446571017350639
Energy: 0.9717141250648493
Energy: 1.0446571017347832
Energy: 0.967842536917445
Energy: 1.0384921820738156
Energy: 0.9800771110639028
Energy: 1.038492182074657
Energy: 0.9870586250234694
Energy: 0.9882552835442262
Energy: 0.9760216990118861
Energy: 0.9882552835403927
Energy: 0.9716249683232089
Energy: 0.9833993491110823
Energy: 0.9897935328639991
Energy: 0.9833993491116121

minimum gb energy = 0.9676017433430413 eV
minimum distance =  2.30627609196374 Angstroms
sigma value = 5


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

Energy: 1.421263031875767
Energy: 0.9581611427300946
Energy: 1.103958398528916
Energy: 0.9414593431563678
Energy: 1.0942128662197006
Energy: 0.9570413297804038
Energy: 1.1237314434729335
Energy: 0.9570413297804038
Energy: 1.1143577608866804
Energy: 1.031196701316154
Energy: 1.1249413642742263
Energy: 1.031196701316154
Energy: 1.0545715933151574
Energy: 1.030968443970292
Energy: 1.0935425016412252
Energy: 1.030968443970292
Energy: 1.042140619277748
Energy: 0.9552689090519841
Energy: 1.0556855452149418
Energy: 0.9552689090519841
Energy: 0.9557288160322238
Energy: 0.9566555874932113
Energy: 1.0599599726944562
Energy: 0.9566555874932113
Energy: 0.9538891130748753
Energy: 0.9540025910105823
Energy: 1.094215386096855
Energy: 0.9540025910105823
Energy: 0.9626369019323968
Energy: 0.958067764035262
Energy: 1.206837195088815
Energy: 0.958067764035262
Energy: 1.0814671965816185
Energy: 0.9856847156587296
Energy: 1.188291648667507
Energy: 0.9856847156587296
Energy: 1.2307534847222104
Energy: 0.9403857218311729
Energy: 0.9475507628952414
Energy: 0.9403857218319336
Energy: 1.0803383911779492
Energy: 0.93697554783024
Energy: 0.9397113372409075
Energy: 0.93697554783024
Energy: 1.2003665690844407
Energy: 0.9380160796849657
Energy: 0.9365717221748661
Energy: 0.9380160796849657
Energy: 1.203713759310889
Energy: 0.9367188561759907
Energy: 0.9503934394584733
Energy: 0.9367188561767513
Energy: 1.020202217667339
Energy: 0.9265916401147344
Energy: 1.202757711654813
Energy: 0.9265916401147344
Energy: 1.013473666312682
Energy: 0.9294738849578059
Energy: 1.1991380120366677
Energy: 0.9294738849578059
Energy: 1.0142395409140441
Energy: 0.9250912013809388
Energy: 0.974023597410677
Energy: 0.9250912013809388
Energy: 1.0122282228463084
Energy: 0.9265193081101868
Energy: 0.9738458170634816
Energy: 0.9265193081101868
Energy: 1.138646993544294
Energy: 0.9282075305880478
Energy: 0.9740585574573918
Energy: 0.9282075305880478
Energy: 1.1776780270344953
Energy: 1.0044492632562347
Energy: 0.9759845450169177
Energy: 1.0044492632562347
Energy: 1.1340810424355054
Energy: 1.0815085641998292
Energy: 1.0564871861616423
Energy: 1.0815085641998292
Energy: 1.059004307880217
Energy: 0.9704389603947186
Energy: 0.9760113881209853
Energy: 0.9704389603947186
Energy: 1.0559897915861305
Energy: 0.9619626283525743
Energy: 0.961410902383321
Energy: 0.9619626283525743
Energy: 1.127389023428412
Energy: 0.9602098827191374
Energy: 0.9610990583514726
Energy: 0.9602098827183767
Energy: 1.2039831520033872
Energy: 0.9630547180564459
Energy: 0.9689443348706145
Energy: 0.9630547180564459
Energy: 1.190493579971563
Energy: 1.058153013321586
Energy: 0.9802847772813251
Energy: 1.058153013321586
Energy: 0.9445548315171531
Energy: 0.933832489174729
Energy: 1.2310512172384867
Energy: 0.933832489174729
Energy: 0.9392955556346337
Energy: 0.9323800906792071
Energy: 0.99895831799556
Energy: 0.9323800906792071
Energy: 0.9312155294019345
Energy: 0.933036004702567
Energy: 0.9910622362310534
Energy: 0.933036004702567
Energy: 0.931618006317856
Energy: 0.9317211390660189
Energy: 1.2069265248733552
Energy: 0.9317211390667798
Energy: 1.2002837395385388
Energy: 0.9800800875126329
Energy: 0.9809862872291363
Energy: 0.9800800875133935
Energy: 1.2009611361840897
Energy: 0.9545479080282968
Energy: 0.957538341758429
Energy: 0.9545479080282968
Energy: 1.0933396628760843
Energy: 0.9538144422849146
Energy: 0.9568874888648441
Energy: 0.9538144422849146
Energy: 0.9630474894950759
Energy: 0.9539849104790049
Energy: 0.9551787879704627
Energy: 0.9539849104790049

minimum gb energy = 0.9250912013809388 eV
minimum distance =  2.27193637662138 Angstroms
sigma value = 1


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

Energy: 1.4067607737987105
Energy: 0.9040708217551129
Energy: 0.9179480420540276
Energy: 0.8748051574167751
Energy: 0.906869309399081
Energy: 0.9051939702126226
Energy: 1.1062271968568995
Energy: 0.9051939702126226
Energy: 1.1062889034583867
Energy: 1.001374825954959
Energy: 1.1096803302474116
Energy: 1.001374825954959
Energy: 0.9278499122544115
Energy: 1.0019385193361858
Energy: 1.0963951565680456
Energy: 1.001938519348807
Energy: 0.904846003089513
Energy: 0.9023474764062944
Energy: 1.103128051588167
Energy: 0.9023474764062944
Energy: 0.902036520002772
Energy: 0.9047079532605251
Energy: 1.1036724071105153
Energy: 0.9047079532605251
Energy: 0.9005696008045698
Energy: 0.9016845891901795
Energy: 1.0974206151512795
Energy: 0.9016845891901795
Energy: 0.9049965783908227
Energy: 0.9071662858226787
Energy: 1.258787981053491
Energy: 0.9071662858226787
Energy: 1.0999557261871344
Energy: 0.951166594182742
Energy: 1.258501034674437
Energy: 0.951166594182742
Energy: 1.1069907483812742
Energy: 0.9116033270508156
Energy: 0.9271483393711683
Energy: 0.9116033270508156
Energy: 1.0985626437605325
Energy: 0.9017752503967769
Energy: 0.9012911728154718
Energy: 0.9017752503967769
Energy: 1.260718273283124
Energy: 0.9121611738106128
Energy: 0.902613020765713
Energy: 0.9121611738106128
Energy: 1.2553507167162403
Energy: 0.9025589708733018
Energy: 0.9034246688273978
Energy: 0.9025589708733018
Energy: 1.0960533210045258
Energy: 1.0027000778707722
Energy: 1.1086370278111615
Energy: 1.0027000778707722
Energy: 0.9318732787442757
Energy: 1.0002919297720212
Energy: 1.107212275457192
Energy: 1.000291929773073
Energy: 0.9342842665315313
Energy: 0.9039520009432388
Energy: 1.0968344576717972
Energy: 0.9039520009432388
Energy: 0.9027469240637197
Energy: 0.9041556808237792
Energy: 1.1053394435893604
Energy: 0.9041556808227275
Energy: 0.9109075698828609
Energy: 0.9078559978959667
Energy: 1.1158822762439167
Energy: 0.9078559978959667
Energy: 0.9009173523109613
Energy: 0.902451301295801
Energy: 1.2585037780483967
Energy: 0.902451301295801
Energy: 0.904518472433296
Energy: 0.9107732131102302
Energy: 1.258833291491867
Energy: 0.9107732131091785
Energy: 1.1037695894262438
Energy: 0.9436072053254978
Energy: 1.0969021293390548
Energy: 0.9436072053254978
Energy: 1.1051482678398334
Energy: 0.903915063431718
Energy: 0.906924072517339
Energy: 0.903915063431718
Energy: 1.0972099968316236
Energy: 0.9019777335528725
Energy: 0.9023692012475341
Energy: 0.9019777335539242
Energy: 1.2553623901306332
Energy: 0.9025864563819892
Energy: 0.9025958117738239
Energy: 0.902586456383041

minimum gb energy = 0.8748051574167751 eV
minimum distance =  2.28870823332939 Angstroms
sigma value = 17


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

Energy: 1.5029986260980648
Energy: 0.8944627196001222
Energy: 1.0640294939009982
Energy: 0.8751086614673782
Energy: 0.9111400848007982
Energy: 0.8941569523827193
Energy: 1.0211072612190986
Energy: 0.8941569523833695
Energy: 1.1234466560544163
Energy: 0.8951640112772937
Energy: 1.0442785855424748
Energy: 0.8951640112759935
Energy: 1.17967128386956
Energy: 0.9384112331855183
Energy: 1.0135373222031918
Energy: 0.9384112331842183
Energy: 0.9976610209202492
Energy: 0.8732428271855599
Energy: 1.1809787278817823
Energy: 0.87324282718621
Energy: 0.873870893008045
Energy: 0.872621103859111
Energy: 1.1597346695330295
Energy: 0.8726211038578107
Energy: 0.8736616200636167
Energy: 0.8724643350423644
Energy: 0.9089241152569763
Energy: 0.8724643350410642
Energy: 0.8818313940596026
Energy: 0.8756650977250021
Energy: 1.1643260801400441
Energy: 0.8756650977243522
Energy: 1.149900431755211
Energy: 0.8757408137259749
Energy: 1.1221844488522468
Energy: 0.8757408137259749
Energy: 1.0493905455112797
Energy: 0.9420785241733649
Energy: 1.0331209942709032
Energy: 0.9420785241701146
Energy: 1.1463782809501162
Energy: 0.8902604303527244
Energy: 0.9046474146181485
Energy: 0.8902604303520743
Energy: 1.1563517929148763
Energy: 0.8961779610318166
Energy: 1.0145939755104316
Energy: 0.8961779610318166
Energy: 1.1421293083712287
Energy: 0.890083142424977
Energy: 0.8912966850859647
Energy: 0.8900831424243268
Energy: 0.891061154096398
Energy: 0.8899408259185825
Energy: 0.8918931621507511
Energy: 0.8899408259185825
Energy: 1.1740309069660657
Energy: 0.8923950044953536
Energy: 0.8987315671402355
Energy: 0.8923950044953536
Energy: 1.16248346267574
Energy: 0.8911652512344288
Energy: 0.8949572816763882
Energy: 0.8911652512350788
Energy: 0.8905668087279582
Energy: 0.9976288194283501
Energy: 1.030378502673965
Energy: 0.9976288194290003
Energy: 0.8899669721649496
Energy: 0.8903605891589025
Energy: 1.1515806679409821
Energy: 0.8903605891601435
Energy: 0.9069008738413923
Energy: 0.8953512193476296
Energy: 1.0161361353160252
Energy: 0.8953512193463294
Energy: 0.8917689679585176
Energy: 0.8902928129247524
Energy: 1.1629258684304844
Energy: 0.8902928129260526
Energy: 1.0303338468944372
Energy: 0.8924235483001516
Energy: 0.891717377820962
Energy: 0.8924235482982605
Energy: 1.044472333151592
Energy: 0.8934180991164616
Energy: 1.1728599093012981
Energy: 0.8934180991151616
Energy: 1.013982257418487
Energy: 0.9364638950467693
Energy: 1.1752582106774465
Energy: 0.9364638950474193
Energy: 1.1842279055165799
Energy: 0.8746240332669782
Energy: 0.9970069925033943
Energy: 0.8746240332682783
Energy: 1.1565608865623866
Energy: 0.8727036731864959
Energy: 0.8727767794132201
Energy: 0.8727036731858459
Energy: 1.014424651216191
Energy: 0.8736647277272265
Energy: 0.8769384965741868
Energy: 0.8736647277265766
Energy: 0.8792550420469267
Energy: 0.8754698070383661
Energy: 0.879732428833239
Energy: 0.875469807039016
Energy: 1.0161787915476392
Energy: 0.8759704858045295
Energy: 1.153062525803561
Energy: 0.8759704858045295
Energy: 1.0215353921948087
Energy: 0.9394809924518686
Energy: 1.044178663040178
Energy: 0.9394809924525187
Energy: 0.9059089784317788
Energy: 0.8900449470174397
Energy: 1.1455202645421807
Energy: 0.8900449470148395
Energy: 1.0136739055155988
Energy: 0.8902857342288739
Energy: 1.160186476373186
Energy: 0.8902857342288739
Energy: 0.8903553163499346
Energy: 0.8902050796826418
Energy: 1.1613181377471695
Energy: 0.8902050796845921
Energy: 0.8897598987219147
Energy: 0.8892387372853351
Energy: 1.0388488894759362
Energy: 0.8892387372846849
Energy: 0.8978380221027833
Energy: 0.894164135482841
Energy: 1.1780919998695154
Energy: 0.894164135481541
Energy: 1.0433608179782614
Energy: 0.9168975209792092
Energy: 1.162837044847522
Energy: 0.9168975209785591
Energy: 1.3481379470926647
Energy: 0.8950649331031771
Energy: 0.8925286756365294
Energy: 0.8950649331025272
Energy: 1.1468932158552214
Energy: 0.8898184559879444
Energy: 0.8911746580566224
Energy: 0.8898184559885944
Energy: 1.1225140170183623
Energy: 0.8960082225464314
Energy: 0.8921719894354038
Energy: 0.8960082225477315

minimum gb energy = 0.8724643350410642 eV
minimum distance =  2.28909779185754 Angstroms
sigma value = 89


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

Energy: 1.592268227762884
Energy: 0.8145512907304463
Energy: 0.8149827656700367
Energy: 0.8376026066308035
Energy: 0.8157291866088808
Energy: 0.8893138754109214
Energy: 0.8136647720853156
Energy: 0.8893138754109214
Energy: 0.8058991895048213
Energy: 0.8913283441135668
Energy: 0.83147233243076
Energy: 0.8913283441135668
Energy: 0.8069011560202973
Energy: 0.8912627463002101
Energy: 0.812334337697124
Energy: 0.8912627463002101
Energy: 0.8113398287810657
Energy: 0.8119618608156156
Energy: 0.825185685021878
Energy: 0.8119618608156156
Energy: 0.812897597379973
Energy: 0.810680209044651
Energy: 0.8238842462365237
Energy: 0.810680209044651
Energy: 0.811352300094154
Energy: 0.8096564832211046
Energy: 0.8141374273205954
Energy: 0.8096564832211046
Energy: 0.8135968373916133
Energy: 0.815265038290594
Energy: 0.8050535241884041
Energy: 0.8152650382922949
Energy: 0.8155547103222183
Energy: 0.8112791846941823
Energy: 0.80530322419272
Energy: 0.8112791846941823
Energy: 0.8284166484693526
Energy: 0.8922679549036279
Energy: 0.8144244335088594
Energy: 0.8922679549036279
Energy: 0.8131974263834489
Energy: 0.8936676805310776
Energy: 0.8043685616630466
Energy: 0.8936676805310776
Energy: 0.823166435444242
Energy: 0.817524849521666
Energy: 0.8144428187956023
Energy: 0.817524849521666
Energy: 0.8259951243708983
Energy: 0.8130780124084264
Energy: 0.8114943225845043
Energy: 0.8130780124084264
Energy: 0.8135109337850898
Energy: 0.8092767773113472
Energy: 0.8097020764064727
Energy: 0.8092767773113472
Energy: 0.8048802634129048
Energy: 0.8121701299952567
Energy: 0.8153589085519977
Energy: 0.8121701299952567

minimum gb energy = 0.8043685616630466 eV
minimum distance =  2.30592131720437 Angstroms
sigma value = 13


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

Energy: 1.4035175491117178
Energy: 0.7668011265044519
Energy: 0.9797665147395194
Energy: 0.7620984855197506
Energy: 0.8366831274436041
Energy: 0.7669675305000473
Energy: 0.9135993145334688
Energy: 0.766967530501473
Energy: 0.7686148047214757
Energy: 0.7642442392887494
Energy: 0.9211376186143588
Energy: 0.764244239290175
Energy: 1.071419964574957
Energy: 0.7680430371513932
Energy: 0.9043242168323855
Energy: 0.7680430371506802
Energy: 0.9084188396040848
Energy: 0.7667656778623723
Energy: 1.0862524046493645
Energy: 0.7667656778630851
Energy: 0.90554128109576
Energy: 0.7654827946845657
Energy: 0.8990033936361317
Energy: 0.7654827946831398
Energy: 0.905443973315216
Energy: 0.7643646492902428
Energy: 0.9009594953034075
Energy: 0.7643646492909558
Energy: 0.9040741857123715
Energy: 0.7634501556294016
Energy: 0.9252240958903303
Energy: 0.7634501556286886
Energy: 0.7627982891287107
Energy: 0.7670100071126346
Energy: 0.906636877615161
Energy: 0.7670100071133474
Energy: 0.7634232971895071
Energy: 0.7639532998777947
Energy: 0.9054392970841849
Energy: 0.7639532998777947
Energy: 0.7663248948796024
Energy: 0.7770478856060175
Energy: 1.4041714221413266
Energy: 0.7770478856053047
Energy: 0.900479270101624
Energy: 0.7631970974898841
Energy: 0.9059063437582333
Energy: 0.7631970974884582
Energy: 0.9019229570241883
Energy: 0.8077657282466489
Energy: 0.9000976551205746
Energy: 0.8077657282473619
Energy: 0.9034196801334967
Energy: 0.810323492361162
Energy: 1.070551044653863
Energy: 0.8103234923618748
Energy: 0.91200215010866
Energy: 0.7661430137551077
Energy: 0.9044758822185449
Energy: 0.7661430137543948
Energy: 0.9102119204897429
Energy: 0.765618532187915
Energy: 0.7689756341068849
Energy: 0.765618532187915
Energy: 1.0599037693501687
Energy: 0.764098278982562
Energy: 0.766565429527165
Energy: 0.7640982789818489
Energy: 0.7694382921688524
Energy: 0.7673890756171249
Energy: 0.7658061345586531
Energy: 0.7673890756178376
Energy: 1.0280739282200158
Energy: 0.7665985252946027
Energy: 0.9003978729161933
Energy: 0.7665985252952507
Energy: 0.9047926242532922
Energy: 0.7636428807166264
Energy: 0.9209504493085895
Energy: 0.7636428807166264
Energy: 1.0752873414952944
Energy: 0.7643959708288979
Energy: 0.9008452453245989
Energy: 0.764395970829611
Energy: 0.9045368090140397
Energy: 0.8200981253030355
Energy: 0.9002352081742812
Energy: 0.8200981253037484
Energy: 0.907215685831948
Energy: 0.7675498357226652
Energy: 1.087051593046163
Energy: 0.7675498357226652
Energy: 0.768961154820677
Energy: 0.7629964783792093
Energy: 1.0597190247425061
Energy: 0.7629964783806351
Energy: 0.9020014143759354
Energy: 0.7646936963701045
Energy: 0.9094485635732519
Energy: 0.7646936963693917
Energy: 0.7651699720403421
Energy: 0.7630609421342723
Energy: 0.9090000703776865
Energy: 0.7630609421342723
Energy: 0.7632837585254232
Energy: 0.7627498833068731
Energy: 1.062127824224914
Energy: 0.7627498833075861
Energy: 0.7783236671862903
Energy: 0.7673456187281652
Energy: 0.7702999776168834
Energy: 0.7673456187267393
Energy: 0.8995905106317005
Energy: 0.766367120127887
Energy: 1.029222855697657
Energy: 0.7663671201271742
Energy: 0.9209103896522356
Energy: 0.8108060087210155
Energy: 0.8997719120091955
Energy: 0.8108060087217286
Energy: 0.9018492930728883
Energy: 0.8079231563776252
Energy: 1.0758602140159592
Energy: 0.8079231563783383
Energy: 0.9096076887844121
Energy: 0.7649720315388263
Energy: 0.899837002756885
Energy: 0.7649720315402522
Energy: 0.9112551292816738
Energy: 0.7659309806882468
Energy: 0.781018242163177
Energy: 0.765930980687534
Energy: 1.0617364892101389
Energy: 0.7626218828095271
Energy: 0.7634583293075617
Energy: 0.7626218828088144
Energy: 1.0281233927682298
Energy: 0.7647667727843133
Energy: 0.7683862089485142
Energy: 0.7647667727850262

minimum gb energy = 0.7620984855197506 eV
minimum distance =  2.29565705939403 Angstroms
sigma value = 37


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

Energy: 1.2237017886800652
Energy: 0.6967849557634598
Energy: 0.6985189728317676
Energy: 0.6952817917168646
Energy: 1.166228124288994
Energy: 0.6943711950003232
Energy: 0.9291998954549667
Energy: 0.6943711950003232
Energy: 1.1582154333728594
Energy: 0.6932955755270536
Energy: 0.9330455649691457
Energy: 0.6932955755270536
Energy: 1.1567411189902213
Energy: 0.7794170795347537
Energy: 0.9311072474906814
Energy: 0.7794170795347537
Energy: 1.163167386347743
Energy: 0.7782755216092341
Energy: 0.9303131690622506
Energy: 0.7782755216092341
Energy: 0.8285483298167492
Energy: 0.6948725143759795
Energy: 1.1633495367302713
Energy: 0.6948725143772061
Energy: 0.6947520553639268
Energy: 0.6929433199349373
Energy: 1.1636505537424928
Energy: 0.6929433199349373
Energy: 0.7029326133670124
Energy: 0.6940617438614508
Energy: 1.1586698312945718
Energy: 0.6940617438614508
Energy: 0.6930597825822116
Energy: 0.6971107927653515
Energy: 1.1581834450155095
Energy: 0.6971107927653515
Energy: 0.6934884886594155
Energy: 0.6943696403670215
Energy: 1.0643553380094515
Energy: 0.6943696403670215
Energy: 0.698518973464392
Energy: 0.6952817917168646
Energy: 1.2237017886800652
Energy: 0.6967849568754447
Energy: 0.9291998954549667
Energy: 0.6943711950003232
Energy: 1.0631667135586653
Energy: 0.6943711950003232
Energy: 0.9330455649691457
Energy: 0.6932955755270536
Energy: 1.1582154333716326
Energy: 0.6932955755270536
Energy: 0.9311072474906814
Energy: 0.7794170795347537
Energy: 1.1567411189816355
Energy: 0.7794170795347537
Energy: 0.9303131690622506
Energy: 0.7782755216092341
Energy: 1.163167386347743
Energy: 0.7782755216092341
Energy: 1.0623182912490263
Energy: 0.6948725143759795
Energy: 0.9339411531588561
Energy: 0.6948725143759795
Energy: 1.1636505537437194
Energy: 0.6929433199349373
Energy: 0.6947520553651534
Energy: 0.6929433199349373
Energy: 1.1586698312957981
Energy: 0.6940617438602243
Energy: 0.7029326133670124
Energy: 0.6940617438614508
Energy: 1.1581834450204158
Energy: 0.6971107927653515
Energy: 0.6930597825822116
Energy: 0.6971107927653515
Energy: 1.1666157482794068
Energy: 0.6943696403670215
Energy: 0.6934884886581889
Energy: 0.6943696403670215

minimum gb energy = 0.6929433199349373 eV
minimum distance =  2.31036986632751 Angstroms
sigma value = 25


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

Energy: 1.457263508424589
Energy: 0.6180490462685716
Energy: 0.8660236156364017
Energy: 0.6215703432999179
Energy: 1.3088098134078596
Energy: 0.6152888287828929
Energy: 0.806895548107089
Energy: 0.6152888287828929
Energy: 1.306091732861024
Energy: 0.614420226248302
Energy: 0.8104993540130805
Energy: 0.614420226248302
Energy: 1.014330537942582
Energy: 0.6160164408610292
Energy: 0.8066214785040129
Energy: 0.6160164408610292
Energy: 1.1537836321073585
Energy: 0.682210640177804
Energy: 1.1601654239606776
Energy: 0.6822106401797194
Energy: 0.9997263229697491
Energy: 0.6800495828822882
Energy: 1.154580297330661
Energy: 0.680049582883246
Energy: 1.0028859863209432
Energy: 0.681823586901438
Energy: 1.1535361499157357
Energy: 0.681823586901438
Energy: 0.8066653306468407
Energy: 0.6203582291006452
Energy: 1.150019707928811
Energy: 0.6203582291006452
Energy: 0.8105365435176825
Energy: 0.6143544860367324
Energy: 1.3123350651019718
Energy: 0.6143544860376902
Energy: 0.8112450771651
Energy: 0.6154000139366442
Energy: 1.3085997070382802
Energy: 0.6154000139376019
Energy: 0.6156510934928148
Energy: 0.619602374181576
Energy: 1.236587552793183
Energy: 0.6196023741882805
Energy: 0.6182765428806275
Energy: 0.6151923056948874
Energy: 1.308624299899432
Energy: 0.6151923056948874
Energy: 0.6162277943302388
Energy: 0.618306261832791
Energy: 1.302317318546368
Energy: 0.618306261832791
Energy: 0.6281389917247643
Energy: 0.6221444286490466
Energy: 1.3002217267368692
Energy: 0.6221444286490466
Energy: 0.8106481397919918
Energy: 0.6140370659589165
Energy: 1.3056471682413815
Energy: 0.6140370659589165
Energy: 0.811206084737132
Energy: 0.6157672279707674
Energy: 1.3085321466737159
Energy: 0.6157672279707674
Energy: 1.008152777485432
Energy: 0.6174848686666218
Energy: 1.3022305455933223
Energy: 0.617484868665664
Energy: 0.8153915171146785
Energy: 0.6846808060929805
Energy: 1.156551248113219
Energy: 0.6846808060929805
Energy: 1.153373082336025
Energy: 0.6809445322355654
Energy: 1.0019072198281898
Energy: 0.6809445322355654
Energy: 1.3085819561393495
Energy: 0.6810447875745341
Energy: 1.0004382649310317
Energy: 0.6810447875745341
Energy: 1.2374970108394678
Energy: 0.6184344698864351
Energy: 0.8135829906283594
Energy: 0.6184344698854773
Energy: 1.310000399340114
Energy: 0.6135455763988001
Energy: 0.6149556070015767
Energy: 0.6135455763988001
Energy: 1.3034825051582555
Energy: 0.6170540168123867
Energy: 0.8062822020095477
Energy: 0.6170540168123867
Energy: 1.1518357847353755
Energy: 0.6168506297841567
Energy: 0.622680956200132
Energy: 0.6168506297851146
Energy: 1.3058679866314402
Energy: 0.6139938871091042
Energy: 0.6146909290397595
Energy: 0.6139938871091042
Energy: 1.306939336208164
Energy: 0.616111925653161
Energy: 0.6196945171902645
Energy: 0.6161119256522032

minimum gb energy = 0.6135455763988001 eV
minimum distance =  2.30892628849048 Angstroms
sigma value = 41


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

Energy: 1.6039190910297518
Energy: 0.5603047695883858
Energy: 0.8235090924856915
Energy: 0.5669469556910743
Energy: 1.4020343198704712
Energy: 0.5583258103769547
Energy: 0.7174227637466059
Energy: 0.5583258103769547
Energy: 1.403340212235206
Energy: 0.5565142362350701
Energy: 0.7223929084849303
Energy: 0.5565142362350701
Energy: 1.1537651516032417
Energy: 0.5596621401385903
Energy: 0.8905895068864076
Energy: 0.559662140137805
Energy: 1.2775420548099672
Energy: 0.5550044222189285
Energy: 1.0182178870056269
Energy: 0.5550044222189285
Energy: 1.1467053329060608
Energy: 0.5567952241463563
Energy: 1.0132728714080932
Energy: 0.5567952241549937
Energy: 1.1510874003802436
Energy: 0.6131414943173443
Energy: 1.1528835582943384
Energy: 0.6131414943181295
Energy: 1.0214319245885628
Energy: 0.6178866629227032
Energy: 1.0201081916589656
Energy: 0.6178866629211327
Energy: 0.8806145412249659
Energy: 0.5574585216932034
Energy: 1.2744475426312913
Energy: 0.5574585216955591
Energy: 0.8799787320832192
Energy: 0.5552668324296179
Energy: 1.2794345133946659
Energy: 0.5552668324296179
Energy: 0.7278686537643049
Energy: 0.5612941302594445
Energy: 1.27141438298993
Energy: 0.5612941302610149
Energy: 0.7190574726580702
Energy: 0.5560702314936975
Energy: 1.4030108488429038
Energy: 0.5560702314936975
Energy: 0.7182002254878547
Energy: 0.5584535755293748
Energy: 1.4070626369863688
Energy: 0.5584535755301602
Energy: 0.5658805827232882
Energy: 0.559906334889818
Energy: 1.2700173284058107
Energy: 0.559906334889818
Energy: 0.5576679809907746
Energy: 0.5574408064714114
Energy: 1.4008808982542946
Energy: 0.5574408064714114
Energy: 0.5621472737443651
Energy: 0.5579692851960085
Energy: 1.4043599557494186
Energy: 0.5579692851960085
Energy: 0.7245236286625822
Energy: 0.5600281487651381
Energy: 1.408469584158623
Energy: 0.5600281487659234
Energy: 0.7191177206499323
Energy: 0.5550935562106184
Energy: 1.3998999327763904
Energy: 0.5550935562114037
Energy: 0.7196807520476051
Energy: 0.5598712941250339
Energy: 1.1486231780180987
Energy: 0.5598712941250339
Energy: 1.0140692671574703
Energy: 0.5577913197783335
Energy: 1.1467825538433087
Energy: 0.5577913197783335
Energy: 1.0218837321396925
Energy: 0.5559347935333142
Energy: 1.2719595531449466
Energy: 0.5559347935364194
Energy: 1.0148667704805807
Energy: 0.611378956190529
Energy: 1.1541703590608305
Energy: 0.6113789561897437
Energy: 1.2746423522815364
Energy: 0.6094914923126172
Energy: 1.144355231682688
Energy: 0.6094914923134024
Energy: 1.0190689345919686
Energy: 0.6118176964671035
Energy: 1.0141014512136675
Energy: 0.6118176964678885
Energy: 1.2728537295683764
Energy: 0.5555903817298634
Energy: 0.8815855013350787
Energy: 0.5555903817306487
Energy: 1.2747471863277482
Energy: 0.5574517342925711
Energy: 1.014644636514849
Energy: 0.5574517342925711
Energy: 1.27964139280056
Energy: 0.5606992748679674
Energy: 0.7198537239035973
Energy: 0.5606992748679674
Energy: 1.3993364047719161
Energy: 0.555831394237513
Energy: 0.720687805121825
Energy: 0.5558313942367278
Energy: 1.2783912021204433
Energy: 0.5596078937483316
Energy: 0.7235172158914485
Energy: 0.5596078937483316
Energy: 1.2760914037900573
Energy: 0.5595355167057945
Energy: 0.558422868731775
Energy: 0.5595355167057945
Energy: 1.4003444713267903
Energy: 0.5572711316083121
Energy: 0.5572140104126274
Energy: 0.5572711316075268
Energy: 1.3954938248923139
Energy: 0.5583356696388998
Energy: 0.565401399473403
Energy: 0.5583356696381145

minimum gb energy = 0.5550044222189285 eV
minimum distance =  2.30669708504812 Angstroms
sigma value = 15


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

Energy: 1.3832118057270153
Energy: 0.5176646237075058
Energy: 0.7886944969257444
Energy: 0.521396484572505
Energy: 1.4707231161556396
Energy: 0.5141039842628129
Energy: 0.6501283415238509
Energy: 0.5141039842628129
Energy: 1.469399609925753
Energy: 0.5128090883906882
Energy: 0.6536869589004831
Energy: 0.5128090883913533
Energy: 1.25764994645443
Energy: 0.5162473454312935
Energy: 0.9146745705624197
Energy: 0.516247345432624
Energy: 1.2514135269727837
Energy: 0.5103314941252672
Energy: 0.9074884330789118
Energy: 0.5103314940993247
Energy: 1.2500330481615232
Energy: 0.5111272112116078
Energy: 0.9050629469970101
Energy: 0.5111272112155989
Energy: 1.0240866126091424
Energy: 0.5186401446075714
Energy: 1.135934190902661
Energy: 0.5186401443795309
Energy: 1.140153216193301
Energy: 0.5616889650997928
Energy: 0.906563222945971
Energy: 0.5616889650984623
Energy: 1.0229926474239441
Energy: 0.5567228812059684
Energy: 1.1335598926161519
Energy: 0.5567228812066336
Energy: 1.0215986496993643
Energy: 0.557772331477213
Energy: 1.35527568396235
Energy: 0.5577723314765479
Energy: 0.9124519547998751
Energy: 0.5144077042939139
Energy: 1.1469214963278156
Energy: 0.5144077042925835
Energy: 0.785995416186993
Energy: 0.510032651460152
Energy: 1.355554587567276
Energy: 0.5100326514608171
Energy: 0.9060510471648517
Energy: 0.5113511966033291
Energy: 1.3583513544335086
Energy: 0.5113511966026639
Energy: 0.6591792646522644
Energy: 0.5162559853815569
Energy: 1.1438037776816279
Energy: 0.5162559853822222
Energy: 0.6489098703243968
Energy: 0.5108063277801145
Energy: 1.4653758830742654
Energy: 0.5108063277794492
Energy: 0.6560585563063265
Energy: 0.5143131807236371
Energy: 1.3608432281620302
Energy: 0.5143131807229718
Energy: 0.5177436896626393
Energy: 0.5151164793392388
Energy: 1.3664783609115063
Energy: 0.515116479339904
Energy: 0.5118245446533436
Energy: 0.5113536778654255
Energy: 1.4642500122287292
Energy: 0.5113536778654255
Energy: 0.5172481497334881
Energy: 0.5150756379775099
Energy: 1.2543670747555091
Energy: 0.5150756379775099
Energy: 0.6562553906225608
Energy: 0.5164002671281113
Energy: 1.4719174792209093
Energy: 0.5164002671281113
Energy: 0.6472896995863464
Energy: 0.5110240875403977
Energy: 1.4650762059351927
Energy: 0.5110240875403977
Energy: 0.6588219760344574
Energy: 0.5156199540408577
Energy: 1.2570083988756013
Energy: 0.5156199540415228
Energy: 0.9052492478157687
Energy: 0.511883885602392
Energy: 1.2476135121437808
Energy: 0.5118838856003963
Energy: 0.9086266668542688
Energy: 0.5102931927254637
Energy: 1.3570018401941775
Energy: 0.5102931927287897
Energy: 0.9132830812204848
Energy: 0.5140695604208628
Energy: 1.03125235750007
Energy: 0.5140695603929247
Energy: 1.136110368442253
Energy: 0.5576597797771015
Energy: 1.2563119142698371
Energy: 0.5576597797744407
Energy: 0.9068787733087417
Energy: 0.556898399195027
Energy: 1.13481402149344
Energy: 0.5568983991970227
Energy: 1.1415144334344522
Energy: 0.5620561930273741
Energy: 1.030585529470093
Energy: 0.5620561930280392
Energy: 1.1389939544915666
Energy: 0.5178886209165127
Energy: 1.136397847213753
Energy: 0.5178886209131867
Energy: 1.1366545638629428
Energy: 0.5113541924415463
Energy: 0.9059965925247125
Energy: 0.5113541924348944
Energy: 1.36185631907741
Energy: 0.5102573045700166
Energy: 0.7856524997498145
Energy: 0.5102573045713469
Energy: 1.1425486847071264
Energy: 0.5175418278883095
Energy: 0.9131939529573476
Energy: 0.5175418278903049
Energy: 1.359052102934501
Energy: 0.5132665105490305
Energy: 0.6542151889460267
Energy: 0.5132665105496956
Energy: 1.3552175068047212
Energy: 0.512825246204895
Energy: 0.6539977245947796
Energy: 0.5128252462062255
Energy: 1.3538251636526184
Energy: 0.5162988194799973
Energy: 0.5277141438586838
Energy: 0.5162988194813276
Energy: 1.4700203808460202
Energy: 0.5153947025670851
Energy: 0.5167653940037517
Energy: 0.5153947025664198
Energy: 1.466768209424485
Energy: 0.5138593514482808
Energy: 0.5139541490131369
Energy: 0.5138593514482808

minimum gb energy = 0.510032651460152 eV
minimum distance =  2.3083527714125 Angstroms
sigma value = 85


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

Energy: 1.5510971800219564
Energy: 0.46206145486578176
Energy: 0.46120735662339346
Energy: 0.48016442046052976
Energy: 1.5042290301286252
Energy: 0.46121500366251295
Energy: 0.5853146256196845
Energy: 0.46121500366251295
Energy: 1.3570885197822036
Energy: 0.46068704956311546
Energy: 0.5853950306630371
Energy: 0.46068704956311546
Energy: 1.1572708679736432
Energy: 0.46351222262696484
Energy: 0.808233610726499
Energy: 0.46351222262696484
Energy: 1.359411269718726
Energy: 0.4591464891398317
Energy: 0.8082951398173849
Energy: 0.4591464891346393
Energy: 1.1618393258216182
Energy: 0.4598593142063353
Energy: 0.8091596789293521
Energy: 0.45985931420575843
Energy: 1.158674997598853
Energy: 0.4603350672257692
Energy: 1.0153070756529952
Energy: 0.4603350672228846
Energy: 1.218101064018779
Energy: 0.45923275876851066
Energy: 0.8617510901100223
Energy: 0.45923275875985675
Energy: 1.1651193957797619
Energy: 0.46013067088405923
Energy: 1.0117994066411802
Energy: 0.46013067087078996
Energy: 1.1641164566320579
Energy: 0.5426537730190042
Energy: 1.2098522594213985
Energy: 0.5426537730184272
Energy: 1.0126180401121418
Energy: 0.45953716984621795
Energy: 1.0597538932407036
Energy: 0.45953716932491495
Energy: 0.9643864091688
Energy: 0.45885043510977414
Energy: 1.2102918921611439
Energy: 0.45885043502963413
Energy: 1.0120104470721256
Energy: 0.45889689987312227
Energy: 1.260622394843694
Energy: 0.4588968998783146
Energy: 0.8082706184731941
Energy: 0.46108078881860565
Energy: 1.0578618296825255
Energy: 0.4610807888191825
Energy: 0.7540333431755188
Energy: 0.4585904105170135
Energy: 1.4016205852058572
Energy: 0.4585904105181673
Energy: 0.8116900693125237
Energy: 0.46114497293900136
Energy: 1.2617355161751227
Energy: 0.46114497293900136
Energy: 0.575161758591992
Energy: 0.45948295316756094
Energy: 1.257693683800373
Energy: 0.45948295316756094
Energy: 0.5776556237186509
Energy: 0.45939099075317197
Energy: 1.4514650212250277
Energy: 0.4593909907537489
Energy: 0.5721143577205928
Energy: 0.45985495367415224
Energy: 1.4487748720525446
Energy: 0.45985495367299833
Energy: 0.5193202992974298
Energy: 0.4591844700642157
Energy: 1.4481592755346628
Energy: 0.4591844700642157
Energy: 0.517023640102917
Energy: 0.45689579560586435
Energy: 1.497822142721029
Energy: 0.45689579560528737
Energy: 0.5193462258550835
Energy: 0.4618964477269042
Energy: 1.3057598176081706
Energy: 0.4618964477269042
Energy: 0.646530576694779
Energy: 0.46011845706416615
Energy: 1.4943434742266763
Energy: 0.46011845706416615
Energy: 0.6404862153127518
Energy: 0.45876030601181256
Energy: 1.4965408086316756
Energy: 0.45876030601181256
Energy: 0.6434743848547796
Energy: 0.4591709039798595
Energy: 1.1574870589210484
Energy: 0.4591709039798595
Energy: 0.8034622963768694
Energy: 0.45910547402361274
Energy: 1.5012406183291365
Energy: 0.4591054740241896
Energy: 0.8032365634996731
Energy: 0.45832162277118527
Energy: 1.3562029173092323
Energy: 0.4583216227717622
Energy: 0.9032895128152403
Energy: 0.45964100818276726
Energy: 1.158901579268274
Energy: 0.4596410081833442
Energy: 1.0155939874178523
Energy: 0.45862158891910537
Energy: 1.356833002621508
Energy: 0.45862158891910537
Energy: 1.0126284693503638
Energy: 0.458422307922311
Energy: 1.1611291463286106
Energy: 0.4584223077643126
Energy: 1.213624856759925
Energy: 0.5424602050293545
Energy: 0.962537947905047
Energy: 0.5424602049861115
Energy: 1.0593164219884486
Energy: 0.542438950573839
Energy: 1.1703937936565316
Energy: 0.5424389505703774
Energy: 1.2127434983183043
Energy: 0.6118993871990294
Energy: 0.9603759620773553
Energy: 0.6118993871990294
Energy: 1.3153226903091468
Energy: 0.46061742622518914
Energy: 0.9618307769046547
Energy: 0.46061742620672763
Energy: 1.058166309092429
Energy: 0.4617637064252465
Energy: 0.808121807447906
Energy: 0.4617637064223619
Energy: 1.4056221132387579
Energy: 0.45914285259231047
Energy: 0.8077369136053235
Energy: 0.4591428525928874
Energy: 1.4527968909820668
Energy: 0.4599235270984098
Energy: 0.8080476660097318
Energy: 0.45992352709956363
Energy: 1.2573804113902591
Energy: 0.45985435714854117
Energy: 0.5821519034694309
Energy: 0.45985435714738737
Energy: 1.5015825732207813
Energy: 0.4592151355148208
Energy: 0.5802505002431434
Energy: 0.45921513551424387
Energy: 1.4482492912154217
Energy: 0.4595880473024879
Energy: 0.5863056513497302
Energy: 0.45958804730306485
Energy: 1.2561338782656284
Energy: 0.46068534217759954
Energy: 0.461785765461049
Energy: 0.46068534217817647
Energy: 1.4990757840361884
Energy: 0.45927282608213404
Energy: 0.45998891429591093
Energy: 0.4592728260827109
Energy: 1.3539011408601345
Energy: 0.46078579665596897
Energy: 0.45961282491423133
Energy: 0.46078579665596897

minimum gb energy = 0.45689579560528737 eV
minimum distance =  2.3016765331953 Angstroms
sigma value = 113


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

Energy: 0.01544697443318504
Energy: 0.4120378021067076
Energy: 1.147841415426475
Energy: 0.016512835117887197
Energy: 0.8374051616949517
Energy: 0.10532447179244298
Energy: 0.838519647570018
Energy: 0.10532447179244298
Energy: 0.016113440103799403
Energy: 0.10380237862460537
Energy: 0.8371297241659804
Energy: 0.10380237862460537
Energy: 0.017193467131651693
Energy: 0.10623279346612356
Energy: 0.8402440801513352
Energy: 0.10623279346656707
Energy: 0.8392545584273686
Energy: 0.10562589966221826
Energy: 0.839668906904058
Energy: 0.10562589966263712
Energy: 0.01601564118861001
Energy: 0.10359235501273951
Energy: 0.8369071391523403
Energy: 0.10359235501273951

minimum gb energy = 0.01544697443318504 eV
minimum distance =  2.52169816091263 Angstroms
sigma value = 1