Model name: model_name=SNAP_ZuoChenLi_2019_Mo__MO_014123846623_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.169258482754231
cohesive_energy=5.496712243166805
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -5.3546056935499 eV

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

Energy: 0.013843872776863681
Energy: 0.014229176659733122
Energy: 5.8128214088880945
Energy: 0.014229176659733122
Energy: 0.014229176659733122
Energy: 0.015004788457992208
Energy: 1.5364817179971049
Energy: 0.015004788457992208
Energy: 5.8128214088880945
Energy: 1.5364817179978982
Energy: 0.014169139463275105
Energy: 1.5364817179978982
Energy: 0.014229176659733122
Energy: 0.015004788457992208
Energy: 1.5364817179971049
Energy: 0.015004788457992208

minimum gb energy = 0.013843872776863681 eV
minimum distance =  2.73871170275951 Angstroms
sigma value = 1


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

Energy: 2.0138587719563823
Energy: 1.8747001552665146
Energy: 1.6574495512326928
Energy: 1.8747001552665146
Energy: 2.245078471748901
Energy: 1.7711987020039832
Energy: 1.6739067765255122
Energy: 1.7711987020039832
Energy: 2.344848723632049
Energy: 1.673667560565061
Energy: 1.6339492562626032
Energy: 1.673667560565061
Energy: 1.9744148583510732
Energy: 1.7811314227895263
Energy: 1.6734746792272512
Energy: 1.7811314227895263
Energy: 1.968140798454192
Energy: 1.7849958568266335
Energy: 2.045022376853263
Energy: 1.7849958568266335
Energy: 2.210227654466752
Energy: 1.7689138469864332
Energy: 1.6163404606373881
Energy: 1.7689138469864332
Energy: 1.7614726660944307
Energy: 1.7785257061247348
Energy: 1.6166911068594194
Energy: 1.7785257061247348
Energy: 1.626711773060202
Energy: 1.7551382150423769
Energy: 2.045546483378086
Energy: 1.7551382150423769
Energy: 1.762200392696337
Energy: 1.7926345825744567
Energy: 1.9793314318353261
Energy: 1.7926345825744567
Energy: 2.2804166709705807
Energy: 1.778311596158957
Energy: 1.7628341208240668
Energy: 1.778311596158957
Energy: 1.6321594312953027
Energy: 1.7823641249363582
Energy: 1.8738999164491192
Energy: 1.7823641249363582
Energy: 1.6397838977965324
Energy: 1.6327697988319558
Energy: 2.8085735739032143
Energy: 1.6327697988319558
Energy: 1.8553873424920109
Energy: 1.787930016052032
Energy: 2.0001084008716066
Energy: 1.787930016052032
Energy: 1.6706159455191303
Energy: 1.778683317374993
Energy: 1.978090348133177
Energy: 1.778683317374993
Energy: 1.6513131344395953
Energy: 1.7657722169875958
Energy: 2.2129835004434253
Energy: 1.7657722169885852
Energy: 1.6702432561966605
Energy: 1.7642214372862994
Energy: 2.212928079060247
Energy: 1.7642214372862994
Energy: 1.670565283074411
Energy: 1.7786750625512064
Energy: 1.974448205269062
Energy: 1.7786750625512064
Energy: 1.8409922583450091
Energy: 1.7837650032150687
Energy: 1.9975224098220146
Energy: 1.7837650032150687
Energy: 1.6242236240917194
Energy: 1.6327522693500063
Energy: 2.8549663349087795
Energy: 1.6327522693500063
Energy: 1.6321830843181224
Energy: 1.7831595550032249
Energy: 1.7638544108290437
Energy: 1.7831595550032249
Energy: 2.2800546627621987
Energy: 1.7752843902638444
Energy: 1.7664125390827938
Energy: 1.7752843902638444
Energy: 1.763975572122276
Energy: 1.7742724148057731
Energy: 1.9787966317219174
Energy: 1.7742724148057731
Energy: 1.692491419526636
Energy: 1.7352610866325295
Energy: 1.8185994384584063
Energy: 1.7352610866315397
Energy: 1.9991538861740898
Energy: 1.7831626404400545
Energy: 1.624633848900136
Energy: 1.7831626404400545
Energy: 2.2104806893163467
Energy: 1.7683099041611907
Energy: 1.6164347521045104
Energy: 1.7683099041611907
Energy: 1.961504350118978
Energy: 1.7891853194659861
Energy: 2.044875176019361
Energy: 1.7891853194659861
Energy: 1.9768357533147831
Energy: 1.7796230149762045
Energy: 1.652879954967469
Energy: 1.7796230149762045
Energy: 2.4835434285571023
Energy: 1.6740589582753949
Energy: 1.6342296103051932
Energy: 1.6740589582753949
Energy: 2.241608487638345
Energy: 1.7707958170317022
Energy: 1.6746196365859511
Energy: 1.7707958170317022
Energy: 2.014526917537655
Energy: 1.8101837553926894
Energy: 1.6742467992567087
Energy: 1.8101837553926894
Energy: 2.2511715387760898
Energy: 1.7709736683927977
Energy: 1.6510938429008135
Energy: 1.7709736683927977
Energy: 2.210672857911002
Energy: 1.7603525663727844
Energy: 1.6358158582033597
Energy: 1.7603525663727844
Energy: 1.9679949242510488
Energy: 1.7848361454330088
Energy: 1.6735785852237766
Energy: 1.7848361454339985

minimum gb energy = 1.6163404606373881 eV
minimum distance =  2.45219702825579 Angstroms
sigma value = 1


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

Energy: 2.0875982939985005
Energy: 1.8792724714082474
Energy: 1.7508328587340882
Energy: 1.8792724714082474
Energy: 2.091663885866989
Energy: 1.8300032537656608
Energy: 1.8401277329370451
Energy: 1.8300032537656608
Energy: 2.1077094586655045
Energy: 1.7050837028097945
Energy: 1.7045293411395166
Energy: 1.7050837028097945
Energy: 1.677819648277839
Energy: 1.8498062397993469
Energy: 1.8400678008369635
Energy: 1.8498062397993469
Energy: 1.6778017109058574
Energy: 1.8504541428600227
Energy: 2.2725947446864714
Energy: 1.8504541428600227
Energy: 2.1072527760221766
Energy: 1.6859862442216413
Energy: 1.6840840749965194
Energy: 1.6859862442216413
Energy: 1.684499851198872
Energy: 1.8289237397015154
Energy: 1.6841450688267368
Energy: 1.8289237397015154
Energy: 1.6836478635872623
Energy: 1.6845682561466138
Energy: 2.272477124654881
Energy: 1.6845682561466138
Energy: 1.6845373502299648
Energy: 1.7695910266503376
Energy: 2.107087545958118
Energy: 1.769591026651466
Energy: 1.8436177380827798
Energy: 1.6782437196161417
Energy: 1.677293402953264
Energy: 1.6782437196161417
Energy: 1.7046802618019044
Energy: 1.8506059084322413
Energy: 2.1073289701979085
Energy: 1.8506059084322413
Energy: 1.684321367189733
Energy: 1.7819227572163014
Energy: 2.676363611179005
Energy: 1.7819227572163014
Energy: 1.840541835636395
Energy: 1.831433693998865
Energy: 2.094940319541251
Energy: 1.8314336939999933
Energy: 1.840541835636395
Energy: 1.8314096276273257
Energy: 2.0949465642390415
Energy: 1.8314096276273257
Energy: 1.6844167220926805
Energy: 1.781926823294978
Energy: 2.6763782414860486
Energy: 1.781926823294978
Energy: 1.7047113886072527
Energy: 1.849698988586199
Energy: 2.1072412686663777
Energy: 1.849698988586199
Energy: 1.8436177380850367
Energy: 1.6782036039681554
Energy: 1.6773023013519381
Energy: 1.6782036039681554
Energy: 1.68446255366629
Energy: 1.7696174313961297
Energy: 2.107107247917757
Energy: 1.7696174313961297
Energy: 1.6836519573023712
Energy: 1.684596147484394
Energy: 2.272477124654881
Energy: 1.6845961474855224
Energy: 1.6845496693988011
Energy: 1.8290253797531653
Energy: 1.6840857270531329
Energy: 1.8290253797531653
Energy: 2.107528382726399
Energy: 1.6860291985234463
Energy: 1.6841398328328667
Energy: 1.6860291985234463
Energy: 1.6778949449993126
Energy: 1.850426774637857
Energy: 2.272594744685343
Energy: 1.850426774637857
Energy: 1.677785681849814
Energy: 1.8498107547590812
Energy: 1.840067800838092
Energy: 1.8498107547590812
Energy: 2.1077497854625222
Energy: 1.7049816422838768
Energy: 1.70441391293852
Energy: 1.7049816422838768
Energy: 2.0924240904158014
Energy: 1.8303971213974253
Energy: 1.8401277329370451
Energy: 1.8303971213974253
Energy: 2.0875982939985005
Energy: 1.8792724714082474
Energy: 1.7501628594484837
Energy: 1.8792724714082474
Energy: 2.091663885866989
Energy: 1.8300032537656608
Energy: 1.8401277329370451
Energy: 1.8300032537656608
Energy: 2.1077094586655045
Energy: 1.7050837028097945
Energy: 1.7045293411395166
Energy: 1.7050837028097945
Energy: 1.677819648277839
Energy: 1.8498062397993469
Energy: 1.8400678008369635
Energy: 1.8498062397993469

minimum gb energy = 1.677293402953264 eV
minimum distance =  2.45722443447443 Angstroms
sigma value = 25


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

Energy: 2.0794506091255713
Energy: 2.018403114083724
Energy: 1.8630122923455088
Energy: 2.018403114083724
Energy: 2.313255222646725
Energy: 1.8743518332030595
Energy: 1.9001334171531354
Energy: 1.8743518332030595
Energy: 2.3225495456352716
Energy: 1.8103735173626907
Energy: 1.8099111934695356
Energy: 1.8103735173626907
Energy: 2.019668997778732
Energy: 1.9084807950321927
Energy: 1.898417903963952
Energy: 1.9084807950321927
Energy: 2.032940487281225
Energy: 1.9086108656599445
Energy: 2.07154868864087
Energy: 1.9086108656599445
Energy: 2.3223350080474985
Energy: 1.7837100180776013
Energy: 1.7795586801357117
Energy: 1.7837100180776013
Energy: 1.8106122551458557
Energy: 1.9058953390220215
Energy: 1.7796351996938735
Energy: 1.9058953390220215
Energy: 1.7790916975741546
Energy: 1.8133109208623015
Energy: 2.718264036484478
Energy: 1.8133109208623015
Energy: 1.8115762478317712
Energy: 1.9067451699962328
Energy: 2.0191433153655995
Energy: 1.9067451699962328
Energy: 1.8901600624461
Energy: 1.9689165444185948
Energy: 2.01841581155824
Energy: 1.9689165444185948
Energy: 1.8451245302402755
Energy: 1.9094083873898497
Energy: 2.2875559380156996
Energy: 1.9094083873898497
Energy: 1.8937304860219526
Energy: 1.906162036646543
Energy: 2.2870590206277286
Energy: 1.906162036646543
Energy: 1.8899075115885857
Energy: 1.92754141578883
Energy: 2.023097773304898
Energy: 1.92754141578883
Energy: 1.8115546929525717
Energy: 1.905854815822856
Energy: 2.01908018861571
Energy: 1.905854815822856
Energy: 1.7858736165992615
Energy: 1.8140442504164667
Energy: 2.6855346633027275
Energy: 1.8140442504164667
Energy: 1.8104685498427449
Energy: 1.9060212650747823
Energy: 1.7798107373202718
Energy: 1.9060212650747823
Energy: 2.752518246757293
Energy: 1.782262773393652
Energy: 1.7796135554269994
Energy: 1.782262773393652
Energy: 2.0328254253979416
Energy: 1.906108434406053
Energy: 2.0734838215502838
Energy: 1.906108434406053
Energy: 1.901672423720882
Energy: 1.9057459478497218
Energy: 1.8986216212991733
Energy: 1.9057459478497218
Energy: 2.0319901362133646
Energy: 1.8765162992716924
Energy: 1.8113550306643968
Energy: 1.8765162992716924
Energy: 2.3060926640812482
Energy: 1.8731632692155311
Energy: 1.8017462843103578
Energy: 1.8731632692155311
Energy: 2.081058084337065
Energy: 1.9266650970161838
Energy: 1.8990690464486721
Energy: 1.9266650970161838
Energy: 2.307345744879068
Energy: 1.9281076584548393
Energy: 1.8996502092936278
Energy: 1.9281076584548393
Energy: 2.4904189477791894
Energy: 1.832816275445727
Energy: 1.832403169272758
Energy: 1.832816275445727
Energy: 2.0329393544523833
Energy: 1.9084789900973302
Energy: 1.8023240090604644
Energy: 1.9084789900973302

minimum gb energy = 1.7790916975741546 eV
minimum distance =  2.45329410645871 Angstroms
sigma value = 9


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

Energy: 1.8343087197121324
Energy: 1.8351094168643265
Energy: 1.9883689592558074
Energy: 1.8351094168643265
Energy: 1.8312557657051487
Energy: 1.8361858665102173
Energy: 1.835692094706237
Energy: 1.8361858665102173
Energy: 1.8368595388343762
Energy: 1.880726453989815
Energy: 1.8782329490366731
Energy: 1.880726453989815
Energy: 1.8356960726859368
Energy: 1.8357022985290636
Energy: 1.8355864001209559
Energy: 1.8357022985290636
Energy: 1.8358748928438786
Energy: 1.8355408410639242
Energy: 1.8369619105903012
Energy: 1.8355408410639242
Energy: 2.8508453958791464
Energy: 1.835761753814914
Energy: 1.8358557677272707
Energy: 1.835761753814914
Energy: 1.878139037227522
Energy: 1.8357988658747877
Energy: 1.8354497235911986
Energy: 1.8357988658747877
Energy: 1.8360074449360375
Energy: 1.8359694406940539
Energy: 2.4643054689470345
Energy: 1.8359694406940539
Energy: 2.214443845937689
Energy: 1.8360004927970703
Energy: 1.8315830150544015
Energy: 1.8360004927970703
Energy: 2.214081439577836
Energy: 1.8322940618095356
Energy: 1.8317685032979591
Energy: 1.8322940618095356
Energy: 1.8359616250721118
Energy: 1.8823597521193294
Energy: 2.464102783770227
Energy: 1.8823597521193294
Energy: 1.8783614834384104
Energy: 1.9694559470252275
Energy: 1.836237589754581
Energy: 1.9694559470252275
Energy: 2.2178691949483342
Energy: 1.835631649381784
Energy: 1.8352753375466018
Energy: 1.835631649381784
Energy: 1.836536924043198
Energy: 1.8965358932944418
Energy: 1.8365630856473192
Energy: 1.8965358932944418
Energy: 1.8352762219579606
Energy: 1.8356198653715228
Energy: 2.2178691949483342
Energy: 1.8356198653730877
Energy: 1.8362285977298103
Energy: 1.969466452590448
Energy: 1.8783658595216772
Energy: 1.969466452590448
Energy: 2.464099319284851
Energy: 1.8823449063227913
Energy: 1.835885925086094
Energy: 1.8823449063227913
Energy: 1.8317594626530043
Energy: 1.8322952404537602
Energy: 2.214081439577836
Energy: 1.8322952404537602
Energy: 1.8316079836037191
Energy: 1.8357686138690463
Energy: 2.214443845937689
Energy: 1.8357686138690463
Energy: 2.464301325708284
Energy: 1.836021522163966
Energy: 1.836062338163864
Energy: 1.836021522163966
Energy: 1.8356548861631317
Energy: 1.8357494071661693
Energy: 1.8782978045679672
Energy: 1.8357494071661693

minimum gb energy = 1.8312557657051487 eV
minimum distance =  2.4959022979773 Angstroms
sigma value = 25


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

Energy: 2.0756076987517567
Energy: 2.360045310491826
Energy: 2.0973697615339297
Energy: 2.3600453104937613
Energy: 2.4306271487477358
Energy: 2.0311381882884314
Energy: 2.008946007515189
Energy: 2.0311381882884314
Energy: 2.049619042470556
Energy: 2.017775639719073
Energy: 2.023500857952209
Energy: 2.017775639719073
Energy: 1.9930875473143532
Energy: 2.0182995192076305
Energy: 2.010257600691739
Energy: 2.0182995192076305
Energy: 2.047287953587589
Energy: 2.0056802565297884
Energy: 2.4752666902184375
Energy: 2.0056802565297884
Energy: 2.575670672061189
Energy: 1.9817341526520669
Energy: 2.0093510449529295
Energy: 1.9817341526520669
Energy: 2.122830937023379
Energy: 2.0188970847833163
Energy: 2.000942440875015
Energy: 2.0188970847833163
Energy: 2.0476744414996486
Energy: 2.1547600810009837
Energy: 2.4743337330762603
Energy: 2.1547600810009837
Energy: 2.1668771539613547
Energy: 1.9811045761885102
Energy: 2.001581557899932
Energy: 1.9811045761885102
Energy: 2.0516034385521102
Energy: 1.9807989087007967
Energy: 2.000783082564259
Energy: 1.9807989087007967
Energy: 2.0471028724896128
Energy: 2.018906043493201
Energy: 2.4904050573246677
Energy: 2.018906043493201
Energy: 2.0470950337096614
Energy: 1.981109835952151
Energy: 2.0093395398178138
Energy: 1.981109835952151
Energy: 2.4523341359039614
Energy: 2.000908304943101
Energy: 2.008733922206557
Energy: 2.000908304943101
Energy: 2.4299196479343683
Energy: 1.981455140769018
Energy: 2.2136031447140665
Energy: 1.981455140769018
Energy: 2.2434884769808776
Energy: 1.9809098047134708
Energy: 2.213805846302703
Energy: 1.9809098047134708
Energy: 2.4167833683198765
Energy: 1.9788129641038894
Energy: 2.0114275666869816
Energy: 1.9788129641038894
Energy: 2.047174516669686
Energy: 1.9811049747324376
Energy: 2.032975363948474
Energy: 1.9811049747324376

minimum gb energy = 1.9788129641038894 eV
minimum distance =  2.47599112164407 Angstroms
sigma value = 17


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

Energy: 2.3706942932055526
Energy: 2.2336846445440757
Energy: 2.1112152478853723
Energy: 2.2336846445440757
Energy: 2.428071602593759
Energy: 1.9819140283812073
Energy: 2.0657946362068342
Energy: 1.9819140283812073
Energy: 2.1038740312701325
Energy: 2.019217459061338
Energy: 2.037204311545853
Energy: 2.019217459061338
Energy: 2.031961238476451
Energy: 1.9873457909724042
Energy: 2.0663623944643033
Energy: 1.9873457909724042
Energy: 2.033833590319762
Energy: 1.9994101523626409
Energy: 2.317441705377902
Energy: 1.9994101523626409
Energy: 2.304761323646472
Energy: 1.996515369154091
Energy: 2.095725367207663
Energy: 1.996515369154091
Energy: 2.130309162379668
Energy: 1.9824536308064706
Energy: 2.316472484010536
Energy: 1.9824536308064706
Energy: 2.051202548242494
Energy: 1.9864767888349004
Energy: 2.355918368518575
Energy: 1.9864767888349004
Energy: 2.050028894946923
Energy: 1.996363426787544
Energy: 2.039145323454082
Energy: 1.996363426787544
Energy: 2.3217161320688007
Energy: 2.0148266028132076
Energy: 2.0673609229456225
Energy: 2.0148266028132076
Energy: 2.07246242137033
Energy: 1.9974053885240202
Energy: 2.327311395184036
Energy: 1.9974053885240202
Energy: 2.063432538106861
Energy: 1.9962042078546913
Energy: 2.1092285200645167
Energy: 1.9962042078546913
Energy: 2.322603495715037
Energy: 2.0661132599147805
Energy: 2.0657605573430127
Energy: 2.0661132599147805
Energy: 2.0688593081410205
Energy: 1.998221969935239
Energy: 2.1135965946838433
Energy: 1.998221969935239
Energy: 2.063672340449015
Energy: 2.014553660744701
Energy: 2.3576047197918593
Energy: 2.014553660744701
Energy: 2.436789962375443
Energy: 1.996425134901948
Energy: 2.0398030748402856
Energy: 1.996425134901948
Energy: 2.0757257573436076
Energy: 1.9954400778645174
Energy: 2.0675019950144553
Energy: 1.9954400778645174
Energy: 2.0501277612611006
Energy: 2.0745674625167894
Energy: 2.4085873782108846
Energy: 2.0745674625167894
Energy: 2.13104437919294
Energy: 1.9977842985470884
Energy: 2.206050286081075
Energy: 1.9977842985470884
Energy: 2.421441391326297
Energy: 1.9976068057300536
Energy: 2.319487886962709
Energy: 1.9976068057300536
Energy: 2.0341426345343754
Energy: 2.027215341453574
Energy: 2.359222175929869
Energy: 2.027215341453574
Energy: 2.033221713657782
Energy: 1.995680178848536
Energy: 2.066861283047932
Energy: 1.995680178848536
Energy: 2.3767600970672635
Energy: 2.0124394602484443
Energy: 2.067932271110166
Energy: 2.0124394602484443
Energy: 2.348897052033409
Energy: 1.9855240051788288
Energy: 2.1762965201854554
Energy: 1.9855240051788288
Energy: 2.3451878107138415
Energy: 1.9855442672755494
Energy: 2.177705317112517
Energy: 1.9855442672755494
Energy: 2.3261156447973326
Energy: 2.011710272896904
Energy: 2.0657365283310956
Energy: 2.011710272896904
Energy: 2.0364955616606455
Energy: 1.9959176481943348
Energy: 2.0654831666452003
Energy: 1.9959176481943348
Energy: 2.034831886525194
Energy: 1.9874448221455527
Energy: 2.4684904083454233
Energy: 1.9874448221455527
Energy: 2.1057407259105125
Energy: 1.9976997277354602
Energy: 2.3241462168825113
Energy: 1.9976997277354602
Energy: 2.1328837953098563
Energy: 1.9972570769514042
Energy: 2.095742089331313
Energy: 1.9972570769514042

minimum gb energy = 1.9819140283812073 eV
minimum distance =  2.46506074384235 Angstroms
sigma value = 53


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

Energy: 1.8805366318313863
Energy: 1.7186557355176761
Energy: 2.133249306172934
Energy: 1.7186557355176761
Energy: 1.8819499957116113
Energy: 1.7186843078971181
Energy: 1.8813676740166079
Energy: 1.7186843078971181
Energy: 2.5829406453942743
Energy: 1.7180350278562495
Energy: 1.9719716726516612
Energy: 1.7180350278562495
Energy: 1.9720227655297753
Energy: 1.7179957369551837
Energy: 2.5832465444675443
Energy: 1.7179957369577068
Energy: 1.8814507084399574
Energy: 1.718707200032929
Energy: 1.881960209498741
Energy: 1.718707200032929
Energy: 2.133196885395371
Energy: 1.7186557355176761
Energy: 1.8805366318313863
Energy: 1.7186557355176761
Energy: 1.8813676740166079
Energy: 1.7186843078971181
Energy: 1.8819499957116113
Energy: 1.7186843078971181
Energy: 1.9719716726516612
Energy: 1.7180350278562495
Energy: 2.5829406453942743
Energy: 1.7180350278562495
Energy: 2.5832465444675443
Energy: 1.7179957369577068
Energy: 1.9720227655297753
Energy: 1.7179957369577068
Energy: 1.881960209498741
Energy: 1.718707200032929
Energy: 1.8814507084399574
Energy: 1.718707200032929
Energy: 1.8805366318313863
Energy: 1.7186557355176761
Energy: 2.1331525996699447
Energy: 1.7186557355176761
Energy: 1.8819499957116113
Energy: 1.7186843078971181
Energy: 1.8813676740166079
Energy: 1.7186843078971181
Energy: 2.5829406453942743
Energy: 1.7180350278562495
Energy: 1.9719716726516612
Energy: 1.7180350278562495

minimum gb energy = 1.7179957369551837 eV
minimum distance =  2.50141666082185 Angstroms
sigma value = 9


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

Energy: 2.333843672715965
Energy: 1.8525612349033154
Energy: 1.9683208146055082
Energy: 1.8525612349033154
Energy: 2.5047125308367777
Energy: 1.8326998874410017
Energy: 2.133588602591187
Energy: 1.8326998874410017
Energy: 2.0633849534692263
Energy: 1.878149611215708
Energy: 2.071174280676652
Energy: 1.878149611215708
Energy: 2.0638813483434313
Energy: 1.8576699505624805
Energy: 2.1335131971153705
Energy: 1.8576699505624805
Energy: 2.0637931417921007
Energy: 1.8349604001532462
Energy: 2.4984106700785293
Energy: 1.8349604001541804
Energy: 2.5183823688484455
Energy: 1.893876360998592
Energy: 2.297339390373891
Energy: 1.893876360998592
Energy: 2.1100902582618595
Energy: 1.8334971026620628
Energy: 2.499208040224437
Energy: 1.833497102661129
Energy: 2.059030362089728
Energy: 2.004757719975925
Energy: 2.053567532810328
Energy: 2.004757719975925
Energy: 2.110821210789851
Energy: 1.8345955233534532
Energy: 2.048340790756252
Energy: 1.8345955233534532
Energy: 2.2783931690160704
Energy: 1.8387298790598956
Energy: 2.1048313253070403
Energy: 1.8387298790598956
Energy: 2.1220037154356146
Energy: 1.8774806674502744
Energy: 2.6456426050004778
Energy: 1.877480667449341
Energy: 2.4954097505146566
Energy: 1.8371461747916682
Energy: 2.106449693080183
Energy: 1.8371461747916682
Energy: 2.088456775306347
Energy: 1.8355261336817041
Energy: 2.107267700089977
Energy: 1.8355261336817041
Energy: 2.0640572211486363
Energy: 1.8576393875252408
Energy: 2.2878780160208922
Energy: 1.8576393875243067
Energy: 2.0653428625083
Energy: 1.840307730505909
Energy: 2.1066009057200143
Energy: 1.840307730504975
Energy: 2.5057930638748442
Energy: 1.835017509307916
Energy: 2.1093498545525713
Energy: 1.835017509307916
Energy: 2.2784185669785995
Energy: 1.8318995489531815
Energy: 2.518517469470356
Energy: 1.831899548950422
Energy: 2.124523905021375
Energy: 1.8373529519173923
Energy: 2.1075869449840807
Energy: 1.8373529519173923
Energy: 2.501807039618039
Energy: 1.8464960213350534
Energy: 2.0526009744916194
Energy: 1.8464960213350534
Energy: 2.1098926910015234
Energy: 1.835015542291218
Energy: 2.0473979171804317
Energy: 1.835015542291218
Energy: 2.06436606910774
Energy: 1.8400989029841897
Energy: 2.1041552998555364
Energy: 1.8400989029841897
Energy: 2.316853649986602
Energy: 1.8370931778986042
Energy: 2.299897974250998
Energy: 1.8370931778986042
Energy: 2.1769637630965226
Energy: 1.8500219612250761
Energy: 2.2884297017799113
Energy: 1.85002196122601
Energy: 2.0687701930044358
Energy: 1.8605666374757412
Energy: 2.568840737509127
Energy: 1.8605666374757412
Energy: 2.071412497199037
Energy: 1.8395558436058272
Energy: 2.0426948245296304
Energy: 1.8395558436058272
Energy: 2.1905331692152683
Energy: 1.8606177224245366
Energy: 2.0704048848804084
Energy: 1.8606177224245366
Energy: 2.4132675307424027
Energy: 1.8535780745518644
Energy: 2.4997576581256027
Energy: 1.8535780745518644
Energy: 2.3207961869080576
Energy: 1.8524607943166504
Energy: 2.5006600802211514
Energy: 1.8524607943166504
Energy: 2.541223356849987
Energy: 1.8594059267393117
Energy: 2.0424468386303465
Energy: 1.8594059267393117
Energy: 2.074693331146254
Energy: 1.8399645587544027
Energy: 2.0779063430899543
Energy: 1.8399645587544027
Energy: 2.0441474546872698
Energy: 1.8643154522876513
Energy: 2.532664119287819
Energy: 1.8643154522876513
Energy: 2.1786815374930617
Energy: 1.8351165709416644
Energy: 2.2903443031972444
Energy: 1.8351165709416644
Energy: 2.554423218829653
Energy: 1.8358926351040494
Energy: 2.294507006829781
Energy: 1.8358926351040494
Energy: 2.0692961230030114
Energy: 1.8405018957813077
Energy: 2.104083761084989
Energy: 1.8405018957813077
Energy: 2.07840897961163
Energy: 1.8370232047459778
Energy: 2.090140086238073
Energy: 1.8370232047459778

minimum gb energy = 1.831899548950422 eV
minimum distance =  2.48470470436046 Angstroms
sigma value = 73


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

Energy: 2.414397362809395
Energy: 1.8914418227627368
Energy: 2.1357941774213245
Energy: 1.8914418227627368
Energy: 2.3832691993200568
Energy: 1.843232542894844
Energy: 2.1342415999461584
Energy: 1.843232542894844
Energy: 2.0494101046129876
Energy: 2.055706862101914
Energy: 2.062627810206955
Energy: 2.055706862101914
Energy: 2.0475632652598335
Energy: 1.8061927992147184
Energy: 2.133594722529071
Energy: 1.8061927992147184
Energy: 2.2402004675995997
Energy: 1.806568520053804
Energy: 2.3665361478690454
Energy: 1.806568520053804
Energy: 2.8042529251499775
Energy: 1.8533128637582021
Energy: 2.1393669381243527
Energy: 1.8533128637582021
Energy: 2.1016312453532286
Energy: 1.8067296025528028
Energy: 2.3667936769073843
Energy: 1.8067296025528028
Energy: 2.1089191518510377
Energy: 1.8070160431181552
Energy: 2.153425994950246
Energy: 1.8070160431181552
Energy: 2.4221791649782882
Energy: 1.8423379869891612
Energy: 2.1343481650384044
Energy: 1.8423379869891612
Energy: 2.1012453053912195
Energy: 1.8416185982200726
Energy: 2.134863692012587
Energy: 1.8416185982200726
Energy: 2.1088163414175956
Energy: 1.8071541317792528
Energy: 2.724061141199822
Energy: 1.8071541317792528
Energy: 2.4227641426702244
Energy: 1.8060497378736402
Energy: 2.3666021768377696
Energy: 1.8060497378736402
Energy: 2.241269685233872
Energy: 1.8064269529065111
Energy: 2.1437674870129966
Energy: 1.8064269529065111
Energy: 2.0489338109396713
Energy: 1.8428685747060405
Energy: 2.6571834647014785
Energy: 1.8428685747045588
Energy: 2.1003532346722937
Energy: 1.8059631133843137
Energy: 2.1366146135993778
Energy: 1.8059631133843137
Energy: 2.2400770861804955
Energy: 1.8422119661955962
Energy: 2.0181166632742227
Energy: 1.8422119661955962
Energy: 2.3857504359691464
Energy: 1.8488513398420447
Energy: 2.7362234151828666
Energy: 1.8488513398420447
Energy: 2.38359857492753
Energy: 1.8484963422544267
Energy: 2.7362629727591115
Energy: 1.848496342252945
Energy: 2.5708176250502306
Energy: 1.8422453477833107
Energy: 2.1380501283115687
Energy: 1.8422453477833107
Energy: 2.048651857271492
Energy: 1.8065025037109361
Energy: 2.0684749801022826
Energy: 1.8065025037109361
Energy: 2.0480129948348695
Energy: 1.8427491796812339
Energy: 2.6653640773296376
Energy: 1.8427491796812339
Energy: 2.2403033791584943
Energy: 1.8059411740147766
Energy: 2.146560801134989
Energy: 1.8059411740147766

minimum gb energy = 1.8059411740147766 eV
minimum distance =  2.49685078380336 Angstroms
sigma value = 7


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

Energy: 2.4670636915807163
Energy: 1.8792032769813594
Energy: 2.135535466685216
Energy: 1.8792032769813594
Energy: 2.4250194663947258
Energy: 1.9278519874010205
Energy: 2.087537802853854
Energy: 1.9278519874010205
Energy: 2.0882267083220967
Energy: 1.9963543016700942
Energy: 2.1215131847146984
Energy: 1.9963543016700942
Energy: 2.087640617169891
Energy: 1.8792505096606809
Energy: 2.0876065365188867
Energy: 1.8792505096606809
Energy: 2.207384937612971
Energy: 1.89504358551131
Energy: 2.087485368770439
Energy: 1.89504358551131
Energy: 2.823705745217309
Energy: 1.8776282932507782
Energy: 2.092087997215946
Energy: 1.8776282932507782
Energy: 2.0909062634856763
Energy: 1.8799126532003871
Energy: 2.4660369016603436
Energy: 1.8799126532003871
Energy: 2.092268171640092
Energy: 1.8774111105343683
Energy: 2.217060320021808
Energy: 1.8774111105343683
Energy: 2.465811409524504
Energy: 1.8903785052842061
Energy: 2.088077603328479
Energy: 1.8903785052842061
Energy: 2.08851366323702
Energy: 1.8767770559594121
Energy: 2.1408952387051645
Energy: 1.8767770559594121
Energy: 2.0900302267135062
Energy: 1.8905490601910881
Energy: 2.2055240763016517
Energy: 1.8905490601910881
Energy: 2.610405313122348
Energy: 1.8771367354564692
Energy: 2.4252074675443143
Energy: 1.8771367354564692
Energy: 2.6103251468858666
Energy: 1.8756030200260858
Energy: 2.430853000096969
Energy: 1.8756030200260858
Energy: 2.089200548071785
Energy: 1.8898177601701738
Energy: 2.588792268490258
Energy: 1.8898177601701738
Energy: 2.089450048709819
Energy: 1.8772960495451614
Energy: 2.0889776997305343
Energy: 1.8772960495451614
Energy: 2.4665724824703625
Energy: 2.01438416824231
Energy: 2.0906209040178294
Energy: 2.01438416824231
Energy: 2.093133136599635
Energy: 1.8771151196184122
Energy: 2.204994715722182
Energy: 1.8771151196184122
Energy: 2.080875867556711
Energy: 1.889629414937974
Energy: 2.4664477654817887
Energy: 1.889629414937974
Energy: 2.8191855512596873
Energy: 1.876295728402148
Energy: 2.09256699120038
Energy: 1.876295728402148
Energy: 2.209193426959473
Energy: 1.8906362873286622
Energy: 2.0803087074658233
Energy: 1.8906362873286622
Energy: 2.089936241490415
Energy: 1.8934001576017614
Energy: 2.09119865358944
Energy: 1.8934001576017614
Energy: 2.091314992141471
Energy: 1.8915125237699417
Energy: 2.11403250906619
Energy: 1.8915125237699417
Energy: 2.425423040571812
Energy: 1.8867115764006828
Energy: 2.0887331745832642
Energy: 1.8867115764006828
Energy: 2.4250061716990263
Energy: 1.8764157456775235
Energy: 2.6103326053884413
Energy: 1.8764157456775235
Energy: 2.4310350388080004
Energy: 1.8811678682458928
Energy: 2.0881502108537715
Energy: 1.8811678682458928
Energy: 2.2050909742727325
Energy: 1.8903248394654857
Energy: 2.113632910961407
Energy: 1.8903248394654857
Energy: 2.089068933873127
Energy: 1.980381778808478
Energy: 2.098490105897012
Energy: 1.980381778808478
Energy: 2.259947357259774
Energy: 1.8901363442413945
Energy: 2.4657537751842007
Energy: 1.8901363442413945
Energy: 2.2060385339814608
Energy: 1.9825891696107787
Energy: 2.092003820186513
Energy: 1.9825891696107787
Energy: 2.4658244548920667
Energy: 1.8751257938356105
Energy: 2.466058042034628
Energy: 1.8751257938356105
Energy: 2.092038436873406
Energy: 1.9829954138433425
Energy: 2.2060385339814608
Energy: 1.9829954138433425

minimum gb energy = 1.8751257938356105 eV
minimum distance =  2.48270080893139 Angstroms
sigma value = 29


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

Energy: 1.989459882295754
Energy: 1.9532229770841714
Energy: 2.071185708639044
Energy: 1.9532229770841714
Energy: 2.4391569533622692
Energy: 1.9375511554667666
Energy: 1.9589087473065536
Energy: 1.9375511554667666
Energy: 2.347512133421608
Energy: 1.926681546169584
Energy: 1.95886173875654
Energy: 1.926681546169584
Energy: 2.4374670317461273
Energy: 1.928905753461115
Energy: 2.001703470497653
Energy: 1.928905753461115
Energy: 2.464674330695533
Energy: 1.947983604547188
Energy: 1.9597444766199592
Energy: 1.947983604547188
Energy: 2.304113954002935
Energy: 1.9365262710225213
Energy: 1.9603615450697833
Energy: 1.9365262710225213
Energy: 2.1759527140147097
Energy: 1.92682899321249
Energy: 2.3537765592049444
Energy: 1.92682899321249
Energy: 1.989071453268902
Energy: 1.928570948062572
Energy: 2.855108793907787
Energy: 1.928570948062572
Energy: 2.436325816334025
Energy: 1.9445882593197703
Energy: 1.9977598344756986
Energy: 1.9445882593197703

minimum gb energy = 1.926681546169584 eV
minimum distance =  2.50867520006079 Angstroms
sigma value = 5


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

Energy: 2.41716247543182
Energy: 2.0869829215122206
Energy: 3.3230520711779703
Energy: 2.0869829215122206
Energy: 2.2490706216673484
Energy: 2.0337130338910896
Energy: 2.2441645417821188
Energy: 2.0337130338910896
Energy: 2.2019418949877902
Energy: 2.044994344659252
Energy: 2.1258879630664427
Energy: 2.044994344659252
Energy: 2.2936905118931405
Energy: 2.0888514027127063
Energy: 2.2418627492687726
Energy: 2.0888514027127063
Energy: 2.146107887537536
Energy: 2.0216097148802827
Energy: 2.1115147663259055
Energy: 2.0216097148802827
Energy: 2.183776503755348
Energy: 2.0444999243823467
Energy: 2.1320157615720765
Energy: 2.0444999243823467
Energy: 2.2204905241744
Energy: 2.0191179550842997
Energy: 2.189168511289753
Energy: 2.0191179550842997
Energy: 2.2241233186243217
Energy: 2.0196176043634932
Energy: 2.179143240947189
Energy: 2.0196176043634932
Energy: 2.1839738206849395
Energy: 2.068324561338444
Energy: 2.2358316077689233
Energy: 2.068324561338444
Energy: 2.4825180865533762
Energy: 2.0656537627394504
Energy: 2.2395113729814344
Energy: 2.0656537627394504
Energy: 2.1082272864359166
Energy: 2.0371992257931333
Energy: 2.3288442940730048
Energy: 2.0371992257931333
Energy: 2.1056485145288
Energy: 2.0426553205907645
Energy: 2.163526648934458
Energy: 2.0426553205907645
Energy: 2.2577259990821363
Energy: 2.221554928878752
Energy: 2.1737330875558976
Energy: 2.221554928878752
Energy: 2.1187520226608734
Energy: 2.0229399640810013
Energy: 2.1632118744452127
Energy: 2.0229399640810013
Energy: 2.1070170440330283
Energy: 2.0946943458177163
Energy: 2.147699863840168
Energy: 2.0946943458177163
Energy: 2.703498013606756
Energy: 2.0691434745340773
Energy: 2.234858062377397
Energy: 2.0691434745340773
Energy: 2.15037497936985
Energy: 2.1618874350367667
Energy: 2.3960878988540273
Energy: 2.1618874350367667
Energy: 2.1177898625235585
Energy: 2.03831711015595
Energy: 2.5144278843838075
Energy: 2.03831711015595
Energy: 2.2200772822291195
Energy: 2.086205456425793
Energy: 2.1765967220432594
Energy: 2.086205456425793
Energy: 2.137710456343633
Energy: 2.0446621912411396
Energy: 2.120836640425009
Energy: 2.0446621912411396
Energy: 2.13476611324847
Energy: 2.0888349093661596
Energy: 2.140988974848597
Energy: 2.0888349093661596
Energy: 2.1476726552043583
Energy: 2.022305251729805
Energy: 2.107017640755736
Energy: 2.022305251729805
Energy: 2.2022812822655737
Energy: 2.0251728407014067
Energy: 2.101335491914091
Energy: 2.0251728407014067
Energy: 2.416774507344679
Energy: 2.088847657945984
Energy: 2.301914096792287
Energy: 2.088847657945984
Energy: 2.4129984389695323
Energy: 2.090605510974633
Energy: 2.309614634792916
Energy: 2.090605510974633
Energy: 2.106278668373944
Energy: 2.0198405601644502
Energy: 2.1046627601464443
Energy: 2.0198405601644502
Energy: 2.290804868051303
Energy: 2.025388389248262
Energy: 2.1016483670410206
Energy: 2.025388389248262
Energy: 2.1445224273013572
Energy: 2.171591270498665
Energy: 2.299828600806296
Energy: 2.171591270498665
Energy: 2.1347447230569525
Energy: 2.019976091303569
Energy: 2.115781275824939
Energy: 2.019976091303569
Energy: 2.157098145317609
Energy: 2.1828774624401746
Energy: 2.133909934020122
Energy: 2.1828774624411644
Energy: 2.1691621173571765
Energy: 2.035310965819123
Energy: 2.418026821338948
Energy: 2.035310965819123
Energy: 2.2268129148689204
Energy: 2.194470421213483
Energy: 2.2462944132663587
Energy: 2.194470421213483
Energy: 2.514249801433614
Energy: 2.0718615810286782
Energy: 2.234889127196667
Energy: 2.0718615810286782

minimum gb energy = 2.0191179550842997 eV
minimum distance =  2.44354587545893 Angstroms
sigma value = 1


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

Energy: 2.0942866923575263
Energy: 1.9157198017187456
Energy: 3.5823877436863856
Energy: 1.9157198017187456
Energy: 2.045389770424178
Energy: 2.1660208711554043
Energy: 2.081993360923703
Energy: 2.1660208711554043
Energy: 2.3047462117544306
Energy: 1.941610930587521
Energy: 2.1321142825034243
Energy: 1.941610930587521
Energy: 2.1204067663895745
Energy: 1.9431675995874151
Energy: 2.0813574764462692
Energy: 1.9431675995874151
Energy: 2.101830898546897
Energy: 1.9164784220031827
Energy: 2.097768988061383
Energy: 1.9164784220031827
Energy: 2.1219003574742703
Energy: 2.019630758853005
Energy: 2.123858546634642
Energy: 2.019630758853005
Energy: 2.081510955864952
Energy: 1.9418981773458834
Energy: 2.3127841393319346
Energy: 1.9418981773458834
Energy: 2.081969886855969
Energy: 1.9432982970158363
Energy: 2.305376553715218
Energy: 1.9432982970158363
Energy: 2.342425945688666
Energy: 1.916923263630799
Energy: 2.0451249921985943
Energy: 1.916923263630799
Energy: 2.342425945688666
Energy: 1.9169262638438287
Energy: 2.045129665391125
Energy: 1.9169262638438287
Energy: 2.08195535725804
Energy: 1.9433070973674809
Energy: 2.3053765537165862
Energy: 1.9433070973674809
Energy: 2.081515038799938
Energy: 1.9418625718820974
Energy: 2.3127841393319346
Energy: 1.9418625718820974
Energy: 2.12192413187805
Energy: 2.008312106899713
Energy: 2.1238167269311425
Energy: 2.008312106899713
Energy: 2.1018345327231875
Energy: 1.9162042193957745
Energy: 2.097789564599146
Energy: 1.9162042193957745
Energy: 2.1204287969201223
Energy: 1.9428838363285006
Energy: 2.0813297046669326
Energy: 1.9428838363285006
Energy: 2.3047462117544306
Energy: 1.9415957570002924
Energy: 2.132093059069713
Energy: 1.9415957570002924
Energy: 2.04542846418945
Energy: 2.166058705343598
Energy: 2.0824190405203047
Energy: 2.166058705343598
Energy: 2.0942866923575263
Energy: 1.9157198017187456
Energy: 3.582387743689123
Energy: 1.9157198017187456
Energy: 2.045389770424178
Energy: 2.1660208711554043
Energy: 2.081993360925072
Energy: 2.1660208711554043
Energy: 2.3047462117544306
Energy: 1.941610930587521
Energy: 2.1321142825034243
Energy: 1.941610930587521
Energy: 2.1204067663895745
Energy: 1.9431675995887836
Energy: 2.0813574764462692
Energy: 1.9431675995887836
Energy: 2.101830898546897
Energy: 1.9164784220031827
Energy: 2.097768988061383
Energy: 1.9164784220031827
Energy: 2.1219003574742703
Energy: 2.019630758853005
Energy: 2.123858546634642
Energy: 2.019630758853005
Energy: 2.081510955864952
Energy: 1.9418981773458834
Energy: 2.3127841393319346
Energy: 1.9418981773458834

minimum gb energy = 1.9157198017187456 eV
minimum distance =  2.45408344460948 Angstroms
sigma value = 17


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

Energy: 2.549949140963695
Energy: 2.00621682747074
Energy: 3.1486289501662625
Energy: 2.00621682747074
Energy: 2.131097759508895
Energy: 1.9567083420179676
Energy: 2.3279570076801046
Energy: 1.9567083420179676
Energy: 2.1768589581616173
Energy: 1.935681523885526
Energy: 2.1479478174329136
Energy: 1.935681523885526
Energy: 2.1560384074789076
Energy: 2.2334695046133195
Energy: 2.310092290490903
Energy: 2.2334695046133195
Energy: 2.0724879830176337
Energy: 1.9340852147160967
Energy: 2.088483086294731
Energy: 1.934085214715251
Energy: 2.0948119940760934
Energy: 1.9866508813144033
Energy: 2.091202101396104
Energy: 1.9866508813144033
Energy: 2.067241739770574
Energy: 1.9388288141778016
Energy: 2.1544608274142956
Energy: 1.9388288141778016
Energy: 2.068682239716138
Energy: 1.9390930183193866
Energy: 2.1262564077011814
Energy: 1.9390930183193866
Energy: 2.117182261229599
Energy: 1.9917653166679414
Energy: 2.338226365205463
Energy: 1.9917653166679414
Energy: 2.117234854110623
Energy: 1.99219426106523
Energy: 2.3425707317632014
Energy: 1.9921942610660757
Energy: 2.185927959532252
Energy: 1.9802902553180244
Energy: 2.126316141695462
Energy: 1.9802902553180244
Energy: 2.1833846374968746
Energy: 1.981546830646014
Energy: 2.128704443265019
Energy: 1.981546830646014
Energy: 2.116990044165922
Energy: 1.9410102085772982
Energy: 2.0739106866492407
Energy: 1.9410102085772982
Energy: 2.109915989295919
Energy: 1.9343150037089047
Energy: 2.0745126062743875
Energy: 1.9343150037089047
Energy: 2.1061273759754977
Energy: 1.9606185165451553
Energy: 2.0740274626981767
Energy: 1.9606185165451553
Energy: 2.1127431928176894
Energy: 1.9386610777844644
Energy: 2.075153304025342
Energy: 1.9386610777844644
Energy: 2.322492677539397
Energy: 2.2277054772375533
Energy: 2.198627384483931
Energy: 2.2277054772375533
Energy: 2.1826643237166587
Energy: 1.9450252322188495
Energy: 2.447116442525509
Energy: 1.9450252322188495
Energy: 2.1995465966172856
Energy: 1.9638911835372668
Energy: 2.331587931509407
Energy: 1.963891183536421
Energy: 2.7016757820321464
Energy: 1.9810905835583699
Energy: 2.203156122217437
Energy: 1.9810905835583699
Energy: 2.1839132918739135
Energy: 1.9940908067012437
Energy: 2.122280906433613
Energy: 1.9940908067012437
Energy: 2.067527919315973
Energy: 1.9337614298095414
Energy: 2.1624802357738977
Energy: 1.9337614298095414
Energy: 2.1849312425622784
Energy: 2.128817985440496
Energy: 2.1408786320604034
Energy: 2.128817985440496
Energy: 2.0685696614952844
Energy: 1.9387574675193464
Energy: 2.0941393691044485
Energy: 1.9387574675193464
Energy: 2.1156958040501244
Energy: 1.9602190761195717
Energy: 2.1278020812652123
Energy: 1.960219076118726
Energy: 2.1770148741007787
Energy: 1.9338556711504047
Energy: 2.0763093502933367
Energy: 1.9338556711504047
Energy: 2.069677977364437
Energy: 1.9346387172047743
Energy: 2.175770209958705
Energy: 1.9346387172047743
Energy: 2.359696896158696
Energy: 2.0118047896930413
Energy: 2.4389224631499964
Energy: 2.011804789692196
Energy: 2.365971322101532
Energy: 2.0129173500163584
Energy: 2.1275616834412023
Energy: 2.0129173500163584
Energy: 2.1760905460643873
Energy: 1.934285537063216
Energy: 2.076258083847086
Energy: 1.934285537063216
Energy: 2.1779042267677173
Energy: 1.9352788424270042
Energy: 2.175761957473762
Energy: 1.9352788424270042
Energy: 2.0689993014535073
Energy: 1.9592567593685226
Energy: 2.086003013310741
Energy: 1.9592567593685226
Energy: 2.078367733743931
Energy: 1.938729521535381
Energy: 2.0885039064469115
Energy: 1.938729521535381
Energy: 2.1934559829372526
Energy: 1.9409433188956025
Energy: 2.1625825486660752
Energy: 1.9409433188956025
Energy: 2.0676416858688276
Energy: 1.9341551251201163
Energy: 2.1265497971007017
Energy: 1.9341551251201163
Energy: 2.1607879157686063
Energy: 1.9981983509506358
Energy: 2.3326815227867543
Energy: 1.9981983509506358
Energy: 2.4533052540163256
Energy: 1.9803016191714518
Energy: 2.2035209306126635
Energy: 1.9803016191714518
Energy: 2.3228008060245307
Energy: 1.963156498898747
Energy: 2.122139438173284
Energy: 1.963156498898747

minimum gb energy = 1.9337614298095414 eV
minimum distance =  2.45567867929346 Angstroms
sigma value = 89


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

Energy: 2.3439382709832977
Energy: 1.812401152501197
Energy: 3.266646395814663
Energy: 1.812401152501197
Energy: 2.257486110198783
Energy: 1.8083213185208613
Energy: 2.2777495350485877
Energy: 1.8083213185208613
Energy: 2.2153616455169542
Energy: 1.8132837352561844
Energy: 1.9829435846594687
Energy: 1.8132837352561844
Energy: 2.021077012218371
Energy: 1.8301322219908596
Energy: 2.277753025822133
Energy: 1.8301322219908596
Energy: 1.9801127742141738
Energy: 1.8312249212585432
Energy: 2.0766723643728375
Energy: 1.8312249212585432
Energy: 1.9809408894334875
Energy: 2.0041846864228754
Energy: 2.207000621205871
Energy: 2.0041846864228754
Energy: 1.9807003529330227
Energy: 1.8134127659305939
Energy: 2.080022990328482
Energy: 1.8134127659305939
Energy: 1.980875836264871
Energy: 1.8315177638022258
Energy: 2.157999347267195
Energy: 1.8315177638022258
Energy: 2.2222947671183126
Energy: 1.8303327156551341
Energy: 1.9578248865022887
Energy: 1.8303327156551341
Energy: 1.9808045047677014
Energy: 1.8295634199945923
Energy: 1.9576469479533405
Energy: 1.8295634199945923
Energy: 2.241138850597043
Energy: 1.810982155966063
Energy: 2.1575677920443694
Energy: 1.810982155966063
Energy: 2.243587281651164
Energy: 1.8112341282972573
Energy: 2.157912289776276
Energy: 1.8112341282972573
Energy: 2.215388434511954
Energy: 1.829138695070148
Energy: 1.9580029862787225
Energy: 1.829138695070148
Energy: 2.2176312781929104
Energy: 1.8286793651200204
Energy: 1.9579247140356564
Energy: 1.8286793651200204
Energy: 1.9814109163929179
Energy: 1.8296679016122614
Energy: 2.1574378699286005
Energy: 1.8296679016122614

minimum gb energy = 1.8083213185208613 eV
minimum distance =  2.45443433235255 Angstroms
sigma value = 13


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

Energy: 2.1474451019119964
Energy: 1.747884749785846
Energy: 2.974801570821434
Energy: 1.747884749785846
Energy: 2.058068090536369
Energy: 1.7512724044411385
Energy: 2.002712629153377
Energy: 1.7512724044420662
Energy: 2.1021058377471737
Energy: 1.6740169546787629
Energy: 2.0934117881510717
Energy: 1.6740169546787629
Energy: 2.0174332724997255
Energy: 1.7104728488269731
Energy: 2.003488403558376
Energy: 1.7104728488269731
Energy: 1.900685118701927
Energy: 1.6827159384817048
Energy: 2.0345762359336494
Energy: 1.6827159384817048
Energy: 2.0777915540861738
Energy: 1.6800983674887893
Energy: 2.0248027729277505
Energy: 1.6800983674887893
Energy: 1.9041621110014373
Energy: 1.6738020745807045
Energy: 1.911434730804696
Energy: 1.6738020745807045
Energy: 1.9034310383575632
Energy: 1.7578223923252778
Energy: 1.9030536274816119
Energy: 1.7578223923262057
Energy: 2.0272978205910466
Energy: 1.6818465434448924
Energy: 1.894543797742439
Energy: 1.6818465434448924
Energy: 2.075773968342636
Energy: 1.6809168309655682
Energy: 2.081063146862935
Energy: 1.6809168309655682
Energy: 2.0639391183660507
Energy: 1.6737417619325081
Energy: 2.092677691617204
Energy: 1.6737417619325081
Energy: 2.0619535807378924
Energy: 1.6721987927615776
Energy: 1.9030325186769395
Energy: 1.6721987927615776
Energy: 1.9831906954147287
Energy: 1.7481315034020395
Energy: 2.118308569722949
Energy: 1.7481315034020395
Energy: 2.0571528360334
Energy: 1.7499125399603124
Energy: 2.0586358535961407
Energy: 1.7499125399603124
Energy: 2.0635624588795975
Energy: 1.6737212056759772
Energy: 2.0894543936778476
Energy: 1.6737212056759772
Energy: 2.061320707467694
Energy: 1.673460598083566
Energy: 2.1013062437429695
Energy: 1.6734605980826383
Energy: 1.9832213119034294
Energy: 1.6820051963898375
Energy: 1.8946225869517073
Energy: 1.6820051963898375
Energy: 2.0353362138036517
Energy: 1.6820501596954314
Energy: 2.0797325205673554
Energy: 1.6820501596954314
Energy: 1.904696066323121
Energy: 1.6740443363086608
Energy: 1.902658951460061
Energy: 1.6740443363086608
Energy: 1.9027059448149135
Energy: 1.6735419226900572
Energy: 1.9046963946214925
Energy: 1.6735419226900572
Energy: 2.079738431747382
Energy: 1.682051727658558
Energy: 2.0348880971540737
Energy: 1.682051727658558
Energy: 1.8945582197215007
Energy: 1.6819445742756045
Energy: 1.9832213119034294
Energy: 1.6819445742756045
Energy: 2.1013062437429695
Energy: 1.673434774772595
Energy: 2.061338458667208
Energy: 1.673434774772595
Energy: 2.0894543936750645
Energy: 1.6734593826572308
Energy: 2.0635457619055315
Energy: 1.6734593826572308
Energy: 2.0595359731050165
Energy: 1.749943702743531
Energy: 2.0540329429565745
Energy: 1.7499437027444584
Energy: 2.1187032924914786
Energy: 1.7482520331249645
Energy: 1.9831906954147287
Energy: 1.7482520331249645
Energy: 1.903101394903127
Energy: 1.672636117725116
Energy: 2.0619767891207395
Energy: 1.672636117725116
Energy: 2.092677691617204
Energy: 1.6737978598056447
Energy: 2.063532307389194
Energy: 1.6737978598056447
Energy: 2.081076261383036
Energy: 1.6813536581096578
Energy: 2.0758185405474965
Energy: 1.6813536581096578
Energy: 1.894499181778868
Energy: 1.6818412258867208
Energy: 2.0273023604231124
Energy: 1.6818412258867208
Energy: 1.9027472589618004
Energy: 1.9892665740245516
Energy: 1.903484183427673
Energy: 1.9892665740245516
Energy: 1.9108349717854751
Energy: 1.6737961762268372
Energy: 1.904158061139495
Energy: 1.6737961762268372
Energy: 2.0248201952828535
Energy: 1.6804044767829525
Energy: 2.0778464030461703
Energy: 1.6804044767829525
Energy: 2.0351115861232754
Energy: 1.68268684995704
Energy: 1.9006926612148995
Energy: 1.68268684995704
Energy: 2.0030514365990593
Energy: 1.710764407744715
Energy: 2.0174002924045813
Energy: 1.710764407744715

minimum gb energy = 1.6721987927615776 eV
minimum distance =  2.47275463604711 Angstroms
sigma value = 37


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

Energy: 2.2738890776771896
Energy: 1.653898132675479
Energy: 2.446262070465986
Energy: 1.653898132675479
Energy: 1.9152748863719085
Energy: 1.6440833433182866
Energy: 1.978212721368956
Energy: 1.6440833433182866
Energy: 2.0243300514496965
Energy: 1.5736680286438125
Energy: 2.099211219817965
Energy: 1.5736680286438125
Energy: 1.9867518761048353
Energy: 1.5691179488373976
Energy: 1.9783963494830037
Energy: 1.5691179488373976
Energy: 1.944792559583086
Energy: 1.5736131526097255
Energy: 1.931463331378787
Energy: 1.5736131526097255
Energy: 2.1499508283908346
Energy: 1.5811377333011005
Energy: 1.9904600861194153
Energy: 1.5811377333011005
Energy: 1.8313078214315814
Energy: 1.574753522880814
Energy: 1.8806430983567655
Energy: 1.574753522880814
Energy: 1.8303552959470824
Energy: 1.6793164158770653
Energy: 1.9394537566128238
Energy: 1.6793164158770653
Energy: 1.8346220791460728
Energy: 1.5738388960445957
Energy: 1.941050791967169
Energy: 1.5738388960445957
Energy: 1.9867858613960545
Energy: 1.5821800381111772
Energy: 1.9392835458966087
Energy: 1.5821800381111772
Energy: 1.9163052203737485
Energy: 1.5708554850559115
Energy: 1.925360711870427
Energy: 1.5708554850559115
Energy: 1.9152261261972474
Energy: 1.581723910652046
Energy: 1.9399133850960306
Energy: 1.581723910652046
Energy: 2.0283993302850294
Energy: 1.5707812996442283
Energy: 2.1266735496601386
Energy: 1.5707812996442283
Energy: 1.9393203640449896
Energy: 1.5707638618306456
Energy: 2.127547160473465
Energy: 1.5707638618306456
Energy: 2.186620725130854
Energy: 1.6505910282990561
Energy: 1.9257856036011283
Energy: 1.6505910282990561
Energy: 2.1873060786618654
Energy: 1.6817396247593288
Energy: 1.9487679036355265
Energy: 1.6817396247593288
Energy: 2.0243342411725216
Energy: 1.570678159322961
Energy: 2.126731847652464
Energy: 1.570678159322961
Energy: 1.989172385920437
Energy: 1.5745213115685246
Energy: 2.1272203912913668
Energy: 1.5745213115685246
Energy: 1.9163211337506834
Energy: 1.5706293059815641
Energy: 1.9259925425759332
Energy: 1.5706293059815641
Energy: 1.9147079275192402
Energy: 1.5845139893513789
Energy: 1.925457488667183
Energy: 1.5845139893497828

minimum gb energy = 1.5691179488373976 eV
minimum distance =  2.4692307063917 Angstroms
sigma value = 25


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

Energy: 2.170820220796517
Energy: 1.5026172639977646
Energy: 2.294371700983136
Energy: 1.5026172639977646
Energy: 1.8077873390444807
Energy: 1.4955506730691939
Energy: 1.7765350448268433
Energy: 1.4955506730691939
Energy: 1.8593414567844737
Energy: 1.4416526361159807
Energy: 2.104515893565001
Energy: 1.4416526361159807
Energy: 1.8664401839479372
Energy: 1.4655839751213482
Energy: 1.7761568092485798
Energy: 1.4655839751213482
Energy: 1.9080188348064484
Energy: 1.4031889055604774
Energy: 1.7532532214933854
Energy: 1.4031889055604774
Energy: 1.8666723767312015
Energy: 1.4314013361424702
Energy: 1.8723704727840245
Energy: 1.431401336141224
Energy: 1.707652461908293
Energy: 1.403027605382478
Energy: 1.881582462382668
Energy: 1.403027605382478
Energy: 1.9168500777983815
Energy: 1.4059020444069537
Energy: 1.9807293700761552
Energy: 1.405902044405708
Energy: 1.748745128656088
Energy: 1.4019542974426198
Energy: 1.7501254104409387
Energy: 1.4019542974426198
Energy: 1.8657027757893703
Energy: 1.4542849202662136
Energy: 1.7507884914966099
Energy: 1.4542849202662136
Energy: 1.7388860703993052
Energy: 1.4022888261809463
Energy: 1.7607147124808449
Energy: 1.4022888261809463
Energy: 1.8674059001976109
Energy: 1.4049058819576248
Energy: 2.010916918865527
Energy: 1.4049058819576248
Energy: 1.7069948459377164
Energy: 1.4006559091157984
Energy: 1.8497061814692415
Energy: 1.4006559091157984
Energy: 1.8651785494343058
Energy: 1.4051497903956647
Energy: 1.850865655866524
Energy: 1.4051497903956647
Energy: 1.8772404089056958
Energy: 1.4011307799101882
Energy: 1.7532942716320445
Energy: 1.4011307799101882
Energy: 1.910199061594459
Energy: 1.399289499611719
Energy: 1.7756039267526105
Energy: 1.399289499611719
Energy: 1.854984955958842
Energy: 1.4392391439963956
Energy: 2.032770708575785
Energy: 1.4392391439951493
Energy: 1.7833375627447596
Energy: 1.5396476862890445
Energy: 1.9400658450921824
Energy: 1.5396476862890445
Energy: 2.101038803356305
Energy: 1.5011977728405188
Energy: 1.7502364639346037
Energy: 1.5011977728405188
Energy: 1.808458156261519
Energy: 1.501082723373467
Energy: 1.7755879718247436
Energy: 1.501082723373467
Energy: 1.8534099225985463
Energy: 1.4389032543808051
Energy: 2.032737377137831
Energy: 1.4389032543808051
Energy: 1.7854868760394484
Energy: 1.4622033507244256
Energy: 1.9406650052959347
Energy: 1.4622033507244256
Energy: 1.8768887356640667
Energy: 1.4004445670774277
Energy: 1.7499610687679164
Energy: 1.4004445670774277
Energy: 2.002250309450831
Energy: 1.4000853209248065
Energy: 1.8735927865050015
Energy: 1.4000853209248065
Energy: 1.7047964842059333
Energy: 1.4001108384891996
Energy: 1.849576854497601
Energy: 1.4001108384891996
Energy: 1.8029851011160392
Energy: 1.406247446156774
Energy: 1.849762581531796
Energy: 1.406247446156774

minimum gb energy = 1.399289499611719 eV
minimum distance =  2.48912606853968 Angstroms
sigma value = 41


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

Energy: 2.197159565306265
Energy: 1.378396541319195
Energy: 2.065636351651159
Energy: 1.378396541319195
Energy: 1.6587986222327373
Energy: 1.4286610820537515
Energy: 1.733877686147766
Energy: 1.4286610820537515
Energy: 1.7207619017387057
Energy: 1.33235920369687
Energy: 2.0146667574389103
Energy: 1.33235920369687
Energy: 1.717130541168503
Energy: 1.3762939372481329
Energy: 1.734300183355466
Energy: 1.376293937270609
Energy: 1.9795671172889928
Energy: 1.2953082019875821
Energy: 1.6260100672574465
Energy: 1.2953082019875821
Energy: 1.7181434494920185
Energy: 1.331302439861535
Energy: 1.7673390978421373
Energy: 1.331302439861535
Energy: 1.6473856766854844
Energy: 1.2742892935671097
Energy: 1.8278393398341126
Energy: 1.2742892935671097
Energy: 1.771350937387158
Energy: 1.310579532497787
Energy: 1.7687997578990693
Energy: 1.310579532497787
Energy: 1.815229641334271
Energy: 1.2737720620972215
Energy: 1.6181515264061823
Energy: 1.2737720620972215
Energy: 1.837389628870883
Energy: 1.336622618084995
Energy: 1.8324598100656377
Energy: 1.3366226180839733
Energy: 1.6927790790670711
Energy: 1.2736402685396357
Energy: 1.6956573817355214
Energy: 1.2736402685406578
Energy: 1.6901461283905406
Energy: 1.3058432077985997
Energy: 1.81032146686429
Energy: 1.3058432077975781
Energy: 1.7047221541107336
Energy: 1.2733418666805214
Energy: 1.6843845817041774
Energy: 1.2733418666805214
Energy: 1.883936547946877
Energy: 1.2794290152840806
Energy: 1.8219021081942632
Energy: 1.2794290152830592
Energy: 1.7818366354579316
Energy: 1.273397535227385
Energy: 1.6242573163299168
Energy: 1.273397535227385
Energy: 1.8085091743490547
Energy: 1.2807253096782123
Energy: 1.8300710373269444
Energy: 1.2807253096782123
Energy: 1.6538502584786219
Energy: 1.2731065760511828
Energy: 1.7949382441924326
Energy: 1.2731065760511828
Energy: 1.7194410402612357
Energy: 1.2768469387040666
Energy: 1.7660529838127756
Energy: 1.2768469387040666
Energy: 1.9148807037150497
Energy: 1.294328915999961
Energy: 1.6233698016166527
Energy: 1.294328915999961
Energy: 1.7851712551093932
Energy: 1.355519886820279
Energy: 1.6402751720910291
Energy: 1.355519886820279
Energy: 1.7168827799770852
Energy: 1.3338365376816876
Energy: 1.9509468004880084
Energy: 1.3338365376827093
Energy: 1.6601186006485857
Energy: 1.3926818598852662
Energy: 1.7339511121986622
Energy: 1.3926818598852662
Energy: 1.7787611418643072
Energy: 1.3793527095787963
Energy: 1.6223575601228162
Energy: 1.3793527095787963
Energy: 1.7764342559272057
Energy: 1.4101393956033408
Energy: 1.6439175410814488
Energy: 1.4101393956033408
Energy: 1.7158507734941448
Energy: 1.3336908902391078
Energy: 1.9509186384759407
Energy: 1.3336908902391078
Energy: 1.7191062026191695
Energy: 1.3337320534747021
Energy: 1.73369819068304
Energy: 1.3337320534747021
Energy: 1.9146165534411952
Energy: 1.2941236475854414
Energy: 1.6221921032821929
Energy: 1.2941236475854414
Energy: 1.7851327715221583
Energy: 1.3122530601482323
Energy: 1.7240342863580016
Energy: 1.3122530601482323
Energy: 1.6544940844524292
Energy: 1.2729575842525847
Energy: 1.7949690949260086
Energy: 1.2729575842525847
Energy: 1.7708218363080335
Energy: 1.2740812157350303
Energy: 1.8770143741960192
Energy: 1.2740812157360517
Energy: 1.7814810698066572
Energy: 1.277693084072807
Energy: 1.6183703185765603
Energy: 1.2776930840717855
Energy: 1.8294825720535586
Energy: 1.2777049671608813
Energy: 1.7211014240225841
Energy: 1.2777049671608813

minimum gb energy = 1.2729575842525847 eV
minimum distance =  2.49232775175356 Angstroms
sigma value = 15


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

Energy: 2.0698877211751334
Energy: 1.284796705029548
Energy: 1.893083741083979
Energy: 1.284796705029548
Energy: 1.6054261889323873
Energy: 1.3373584638315243
Energy: 1.6042529653971316
Energy: 1.3373584638315243
Energy: 1.6052576988370957
Energy: 1.2422279142973187
Energy: 1.9348976952991552
Energy: 1.2422279142964532
Energy: 1.651998612780219
Energy: 1.2847612188779813
Energy: 1.604185961507977
Energy: 1.2847612188814432
Energy: 1.8994389419018791
Energy: 1.214108455800565
Energy: 1.5218488098501415
Energy: 1.214108455800565
Energy: 1.6528078049168828
Energy: 1.243200154617697
Energy: 1.6419999992544898
Energy: 1.2432001546246207
Energy: 1.5312647936885393
Energy: 1.1864545699652378
Energy: 1.7795348024935447
Energy: 1.1864545699643723
Energy: 1.70270794006126
Energy: 1.2184017409482335
Energy: 1.6425499702248005
Energy: 1.2184017409490988
Energy: 1.7577982464492383
Energy: 1.1736077934977622
Energy: 1.5137793739884875
Energy: 1.1736077934977622
Energy: 1.704041948160091
Energy: 1.1971606286928027
Energy: 1.7085705420696498
Energy: 1.1971606286936682
Energy: 1.5642540046671416
Energy: 1.173513187310216
Energy: 1.6555574882887127
Energy: 1.173513187310216
Energy: 1.709868350179229
Energy: 1.214499981695063
Energy: 1.7113436816737142
Energy: 1.214499981695063
Energy: 1.6476812600698494
Energy: 1.1736742839945264
Energy: 1.5595704502156276
Energy: 1.1736742839945264
Energy: 1.736124736491296
Energy: 1.1905630141115888
Energy: 1.6738485100113234
Energy: 1.1905630141107235
Energy: 1.638002736425059
Energy: 1.1733940468374493
Energy: 1.5673197191775725
Energy: 1.1733940468374493
Energy: 1.7077175778196716
Energy: 1.1912242792969656
Energy: 1.7500169434945145
Energy: 1.1912242792978311
Energy: 1.5723481916936597
Energy: 1.1767221902789153
Energy: 1.6452424074147283
Energy: 1.1767221902789153
Energy: 1.7088584364305373
Energy: 1.1762222406400757
Energy: 1.702863865207777
Energy: 1.1762222406400757
Energy: 1.7236479424274207
Energy: 1.1737476174709793
Energy: 1.5179674013057687
Energy: 1.1737476174709793
Energy: 1.7000480008503454
Energy: 1.200092752152653
Energy: 1.6428611802986268
Energy: 1.200092752152653
Energy: 1.5352086254824158
Energy: 1.1901065912228739
Energy: 1.7457084252004242
Energy: 1.1901065912228739
Energy: 1.5931230815662818
Energy: 1.2309446389943222
Energy: 1.7091341369049968
Energy: 1.2309446389943222
Energy: 1.7167222339237842
Energy: 1.2123112606110387
Energy: 1.5192332702931235
Energy: 1.2123112606110387
Energy: 1.6504701474243773
Energy: 1.2934037554604347
Energy: 1.5807921022916158
Energy: 1.2934037554604347
Energy: 1.6018162045520152
Energy: 1.2454595004469182
Energy: 1.7513519683099792
Energy: 1.2454595004469182
Energy: 1.5506207757698118
Energy: 1.3107554641335173
Energy: 1.677957649338851
Energy: 1.3107554641335173
Energy: 1.6323336434219953
Energy: 1.28424896215972
Energy: 1.5191356777784697
Energy: 1.28424896215972
Energy: 1.605923933765947
Energy: 1.3305574369651445
Energy: 1.581077384630206
Energy: 1.3305574369651445
Energy: 1.6136526674853695
Energy: 1.2456891763129616
Energy: 1.7516787848202013
Energy: 1.2456891763129616
Energy: 1.5915966424798618
Energy: 1.2616149408525956
Energy: 1.6777182708864549
Energy: 1.2616149408525956
Energy: 1.7162346661948484
Energy: 1.217269633118871
Energy: 1.5195537758377804
Energy: 1.217269633118871
Energy: 1.6511190661081372
Energy: 1.2467396054684112
Energy: 1.64462140186606
Energy: 1.2467396054684112
Energy: 1.537100179144555
Energy: 1.1903774725230092
Energy: 1.745536857451942
Energy: 1.1903774725230092
Energy: 1.6471519407532071
Energy: 1.1995298715744267
Energy: 1.719524536472441
Energy: 1.199529871575292
Energy: 1.7232755009996008
Energy: 1.1770627887914995
Energy: 1.5500118884644187
Energy: 1.1770627887914995
Energy: 1.712499293535008
Energy: 1.200225859742902
Energy: 1.6807242613906659
Energy: 1.200225859742902
Energy: 1.5632990043092414
Energy: 1.1773008910312686
Energy: 1.6458789416630795
Energy: 1.1773008910312686

minimum gb energy = 1.1733940468374493 eV
minimum distance =  2.5025637839772 Angstroms
sigma value = 85


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

Energy: 2.0790420319566274
Energy: 1.2322276783636494
Energy: 1.4529208139282828
Energy: 1.2322276783636494
Energy: 1.5006398017303542
Energy: 1.1753729319104436
Energy: 1.5668375262065517
Energy: 1.1753729318053912
Energy: 1.494601801304013
Energy: 1.2019482089719342
Energy: 2.0171048980586925
Energy: 1.201948208972685
Energy: 1.5344348138549808
Energy: 1.1443602027909454
Energy: 1.5667393532785763
Energy: 1.1443602027909454
Energy: 1.8921340953913086
Energy: 1.1458495663705415
Energy: 1.4228786386186918
Energy: 1.1458495663705415
Energy: 1.5342003640575628
Energy: 1.1203053686408202
Energy: 1.5911653869588598
Energy: 1.1203053686228395
Energy: 1.4323574510615498
Energy: 1.1309639564487404
Energy: 1.8478620884374202
Energy: 1.1309639564487404
Energy: 1.5804328665422696
Energy: 1.1203746373337289
Energy: 1.5907260014559064
Energy: 1.1203746373344796
Energy: 1.7363680756523987
Energy: 1.0942110666293148
Energy: 1.4740365917821627
Energy: 1.0942110666293148
Energy: 1.5798215278202479
Energy: 1.1044306525967664
Energy: 1.590674860164017
Energy: 1.1044306525967664
Energy: 1.4509499989738894
Energy: 1.0941508480388875
Energy: 1.7094961161103739
Energy: 1.0941508480388875
Energy: 1.5962046148130138
Energy: 1.0935653777793404
Energy: 1.5912212653003555
Energy: 1.0935653777793404
Energy: 1.6113756497886051
Energy: 1.09745182818931
Energy: 1.5074981319367882
Energy: 1.09745182818931
Energy: 1.5962206609225085
Energy: 1.1124969334673755
Energy: 1.5971991477757326
Energy: 1.1124969334673755
Energy: 1.500417242605685
Energy: 1.0946997953358375
Energy: 1.6020222938883248
Energy: 1.0946997953358375
Energy: 1.5912116744586817
Energy: 1.0987955286990132
Energy: 1.5970869838755553
Energy: 1.0987955286990132
Energy: 1.5183341119921139
Energy: 1.0974952327946932
Energy: 1.5680642000668037
Energy: 1.0974952327946932
Energy: 1.595694098791578
Energy: 1.0990974016971702
Energy: 1.5971652322938177
Energy: 1.0990974016971702
Energy: 1.5768717981338334
Energy: 1.0975686041529573
Energy: 1.5254273333390953
Energy: 1.0975686041529573
Energy: 1.591129405335473
Energy: 1.0779002079539226
Energy: 1.5941947492421842
Energy: 1.0779002079539226
Energy: 1.4580885444138085
Energy: 1.0970326513653212
Energy: 1.6506183610818728
Energy: 1.0970326513653212
Energy: 1.5842591497756737
Energy: 1.0923060538008322
Energy: 1.5896638792079025
Energy: 1.0923060538008322
Energy: 1.676169245592325
Energy: 1.097003477171622
Energy: 1.472840399244672
Energy: 1.097003477171622
Energy: 1.6002865843224328
Energy: 1.1165711904674571
Energy: 1.519746898953444
Energy: 1.1165711904674571
Energy: 1.4345532647483978
Energy: 1.1336248125783908
Energy: 1.6056620131292707
Energy: 1.1336248125783908
Energy: 1.5351407857853019
Energy: 1.1560956950105568
Energy: 1.5913980052747212
Energy: 1.1560956950105568
Energy: 1.6441156647928898
Energy: 1.1463067227738983
Energy: 1.4231520525934314
Energy: 1.1463067227738983
Energy: 1.6194951769192705
Energy: 1.1808166257202732
Energy: 1.4687753090088755
Energy: 1.1808166257202732
Energy: 1.492522270521458
Energy: 1.2018176096108835
Energy: 1.5877580917851808
Energy: 1.2018176096108835
Energy: 1.5003892777312136
Energy: 1.2404905125067105
Energy: 1.5664597114509888
Energy: 1.2404905125067105
Energy: 1.653884271171417
Energy: 1.2324838477379958
Energy: 1.4228112974782285
Energy: 1.2324838477379958
Energy: 1.6162614436753922
Energy: 1.2247926418043633
Energy: 1.469240264223424
Energy: 1.2247926418058646
Energy: 1.4921248002419092
Energy: 1.2019857391960984
Energy: 1.5877266489971484
Energy: 1.2019857391960984
Energy: 1.5351446217133415
Energy: 1.1876325176839417
Energy: 1.566627646251497
Energy: 1.1876325176839417
Energy: 1.6442516892917298
Energy: 1.1458804529544098
Energy: 1.4227844524832363
Energy: 1.1458804529544098
Energy: 1.6193998887196666
Energy: 1.1386559464354022
Energy: 1.5201587264654965
Energy: 1.1386559464354022
Energy: 1.4321820652538617
Energy: 1.133477654469035
Energy: 1.6060063862617082
Energy: 1.133477654469035
Energy: 1.5814779954338374
Energy: 1.1207761247323116
Energy: 1.5910133895206389
Energy: 1.1207761247323116
Energy: 1.6761488538938576
Energy: 1.0965482230753418
Energy: 1.4734654944145698
Energy: 1.0965482230753418
Energy: 1.6002488400551993
Energy: 1.0905376911351907
Energy: 1.587749985030004
Energy: 1.0905376911351907
Energy: 1.450645105121491
Energy: 1.0966376688858988
Energy: 1.6506282099201417
Energy: 1.0966376688858988
Energy: 1.5966100542606534
Energy: 1.0923858625593161
Energy: 1.5895416179282738
Energy: 1.0923858625593161
Energy: 1.5768400047372042
Energy: 1.0792573760960886
Energy: 1.5076591781444253
Energy: 1.0792573760960886

minimum gb energy = 1.0779002079539226 eV
minimum distance =  2.50955857931966 Angstroms
sigma value = 113


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

Energy: 0.015651050048747516
Energy: 0.01603202381089296
Energy: 2.0505532644507616
Energy: 0.01603202381089296
Energy: 0.017632511150436906
Energy: 1.3556061751015402
Energy: 0.017632511150436906
Energy: 1.3556061751015402
Energy: 2.0505532644507616
Energy: 0.01603202381089296
Energy: 0.015651050048747516
Energy: 0.01603202381089296
Energy: 0.017632511150436906
Energy: 1.3556061751015402
Energy: 0.017632511150436906
Energy: 1.3556061751015402
Energy: 0.015651050048202535
Energy: 0.01603202381089296
Energy: 2.0505532644507616
Energy: 0.01603202381089296
Energy: 0.017632511150436906
Energy: 1.3556061751015402
Energy: 0.017632511150436906
Energy: 1.3556061751015402

minimum gb energy = 0.015651050048202535 eV
minimum distance =  2.72925196320966 Angstroms
sigma value = 1