Model name: model_name=EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005
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=3.614728152751923
cohesive_energy=3.524844861148951
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013634310447603042
Energy: 0.014027092998713462
Energy: 0.7605579554168509
Energy: 0.014027092998713462
Energy: 0.014027092998713462
Energy: 0.7643117600238837
Energy: 0.014027092998713462
Energy: 0.7643117600232564
Energy: 0.7605579554150037
Energy: 0.014027092998713462
Energy: 0.013634310447603042
Energy: 0.014027092998713462
Energy: 0.014027092998713462
Energy: 0.7643117600238837
Energy: 0.014027092998713462
Energy: 0.7643117600238837

minimum gb energy = 0.013634310447603042 eV
minimum distance =  2.46937906316421 Angstroms
sigma value = 1


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

Energy: 0.9102999730512088
Energy: 0.8863884104404282
Energy: 0.7961933983015801
Energy: 0.8863884104404282
Energy: 0.842906440521135
Energy: 0.8857431666035361
Energy: 0.8367848027258834
Energy: 0.8857431666020145
Energy: 0.786032597619427
Energy: 0.8764202197348353
Energy: 0.8359729769005377
Energy: 0.8764202197348353
Energy: 0.828621309796945
Energy: 0.895995115286571
Energy: 0.822600534838256
Energy: 0.895995115286571
Energy: 0.831287667493569
Energy: 0.8879585462535013
Energy: 0.8385380807409674
Energy: 0.8879585462535013
Energy: 0.7990964415357433
Energy: 0.8735940360076492
Energy: 0.799669440777059
Energy: 0.8735940360099316
Energy: 0.8461664693345775
Energy: 0.8762731845278771
Energy: 0.8001080753668717
Energy: 0.8762731845286378
Energy: 0.7506831199471923
Energy: 0.887375706702149
Energy: 0.7981796512660042
Energy: 0.8873757067036707
Energy: 0.8234570735384302
Energy: 0.8391134332707504
Energy: 0.8325588502982567
Energy: 0.8391134332699896
Energy: 0.7965218712808884
Energy: 0.8759515566203997
Energy: 0.7452102131005367
Energy: 0.8759515566219213
Energy: 0.8382334808180174
Energy: 0.8808378571058392
Energy: 0.8237942727855918
Energy: 0.8808378571050782
Energy: 0.8237679619504051
Energy: 0.8873587731964966
Energy: 0.8049771910922814
Energy: 0.8873587731972575
Energy: 0.8354054490757001
Energy: 0.8758110534219703
Energy: 0.8457736468054704
Energy: 0.8758110534212096
Energy: 0.8405179201929185
Energy: 0.8830541318541549
Energy: 0.817295375706466
Energy: 0.8830541318533942
Energy: 0.8334582790017316
Energy: 0.8882049636465825
Energy: 0.8353466524528207
Energy: 0.8882049636458216
Energy: 0.8390463152411615
Energy: 0.8879550263938658
Energy: 0.8360037359259214
Energy: 0.8879550263923441
Energy: 0.835926116948797
Energy: 0.8762581936767581
Energy: 0.7852893363575123
Energy: 0.8762581936767581
Energy: 0.837056322899736
Energy: 0.8766596309211043
Energy: 0.8434314870764223
Energy: 0.8766596309226259
Energy: 0.7607291658506123
Energy: 0.8869159461023424
Energy: 0.8047182085396466
Energy: 0.8869159461008208
Energy: 0.837013216236018
Energy: 0.838127728052912
Energy: 0.8262817405624666
Energy: 0.8381277280521513
Energy: 0.7977390269539523
Energy: 0.876169179291257
Energy: 0.7440378727059017
Energy: 0.876169179291257
Energy: 0.8225344847816841
Energy: 0.8876936469010852
Energy: 0.8334706217777376
Energy: 0.8876936468988028
Energy: 0.8282054430974045
Energy: 0.8877583753244641
Energy: 0.790199723699528
Energy: 0.8877583753237034
Energy: 0.8188298660675748
Energy: 0.8772409330802124
Energy: 0.7991615877333355
Energy: 0.8772409330794517
Energy: 0.8002728383250041
Energy: 0.8728526112610725
Energy: 0.8457817005371344
Energy: 0.8728526112618332
Energy: 0.8340998474978015
Energy: 0.8873854812606269
Energy: 0.7895537393388148
Energy: 0.8873854812591051
Energy: 0.8323305888768315
Energy: 0.8820237486929633
Energy: 0.8232972314507204
Energy: 0.8820237486914417
Energy: 0.7881954227269545
Energy: 0.8758862650907653
Energy: 0.8360526655562854
Energy: 0.8758862650907653
Energy: 0.8420249337745307
Energy: 0.8888870878601107
Energy: 0.8330042875871481
Energy: 0.88888708785935
Energy: 0.8481739685438776
Energy: 0.8865874353657337
Energy: 0.8274557816814263
Energy: 0.8865874353680161
Energy: 0.8459324297836031
Energy: 0.8816592280080245
Energy: 0.8352494399207488
Energy: 0.8816592280087854
Energy: 0.8210744809641618
Energy: 0.8767843724623903
Energy: 0.8408847429993305
Energy: 0.8767843724616295
Energy: 0.8312361161340239
Energy: 0.8950277913813097
Energy: 0.8234629846661232
Energy: 0.8950277913820704

minimum gb energy = 0.7440378727059017 eV
minimum distance =  2.29600546261841 Angstroms
sigma value = 1


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

Energy: 0.9775776092441764
Energy: 0.9493772271319599
Energy: 0.846414276132979
Energy: 0.9493772271319599
Energy: 0.8724758796176868
Energy: 0.9311595313444685
Energy: 0.8781489746888019
Energy: 0.9311595313453358
Energy: 0.835364939796575
Energy: 0.9489573505011191
Energy: 0.8800638649972262
Energy: 0.948957350496782
Energy: 0.8547381063465999
Energy: 0.904337408004133
Energy: 0.8406847471710183
Energy: 0.9043374080067353
Energy: 0.8546631887095965
Energy: 0.9339897873641044
Energy: 0.8393703347620192
Energy: 0.9339897873623696
Energy: 0.8875574418234835
Energy: 0.9351436724864385
Energy: 0.8326704278340381
Energy: 0.935143672487306
Energy: 0.8726911586970815
Energy: 0.9053366845435353
Energy: 0.8544889222971164
Energy: 0.9053366845444027
Energy: 0.7825459825392075
Energy: 0.9496468099476608
Energy: 0.8463690127981126
Energy: 0.9496468099467933
Energy: 0.8560371088767172
Energy: 0.892702780411042
Energy: 0.8781609784793761
Energy: 0.8927027804084398
Energy: 0.8483233342010187
Energy: 0.9504397712323711
Energy: 0.8159134397656104
Energy: 0.9504397712315038
Energy: 0.8725465143813697
Energy: 0.9152347243338872
Energy: 0.8752431493716637
Energy: 0.9152347243364894
Energy: 0.8194350102167773
Energy: 0.9411017419841126
Energy: 0.8800914598767703
Energy: 0.9411017419797755
Energy: 0.8929057858464784
Energy: 0.9328761791293224
Energy: 0.8531441796085052
Energy: 0.9328761791267202
Energy: 0.8927331280203872
Energy: 0.9330273248089601
Energy: 0.8393279006296765
Energy: 0.9330273248080927
Energy: 0.8190549657193185
Energy: 0.9412058937833927
Energy: 0.8798703927083452
Energy: 0.9412058937799229
Energy: 0.872614520098503
Energy: 0.91517072704649
Energy: 0.878257199099552
Energy: 0.9151707270447552
Energy: 0.8483057716687292
Energy: 0.9505055970634284
Energy: 0.8164213322879506
Energy: 0.9505055970668981
Energy: 0.8556872433453099
Energy: 0.8926386908988205
Energy: 0.8781791896921246
Energy: 0.8926386908988205
Energy: 0.7825412046192245
Energy: 0.9493880300454773
Energy: 0.8171318120106007
Energy: 0.9493880300480796
Energy: 0.8726115152100838
Energy: 0.9055002995962991
Energy: 0.8405385410158799
Energy: 0.9055002995971666
Energy: 0.8874559230973952
Energy: 0.934722586699881
Energy: 0.8168290979323388
Energy: 0.9347225866964112
Energy: 0.8549097347524592
Energy: 0.9337359210147684
Energy: 0.8436385223710964
Energy: 0.9337359210165033
Energy: 0.854762035763957
Energy: 0.9044547210743202
Energy: 0.8370623928186688
Energy: 0.9044547210734528
Energy: 0.8351869425270244
Energy: 0.9489155713232093
Energy: 0.8777652384704617
Energy: 0.9489155713292812
Energy: 0.8724305095934856
Energy: 0.9296161209801004
Energy: 0.8780750117000752
Energy: 0.9296161209835703
Energy: 0.9775776092433089
Energy: 0.9493772271319599
Energy: 0.8730789436076747
Energy: 0.9493772271319599
Energy: 0.8724758796185542
Energy: 0.9311595313453358
Energy: 0.8781489746888019
Energy: 0.9311595313453358
Energy: 0.835364939796575
Energy: 0.9489573505011191
Energy: 0.8761153492770645
Energy: 0.948957350496782
Energy: 0.8547381063465999
Energy: 0.9043374080050005
Energy: 0.8351652932421512
Energy: 0.9043374080067353

minimum gb energy = 0.7825412046192245 eV
minimum distance =  2.27831287131148 Angstroms
sigma value = 25


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

Energy: 0.9292174583167033
Energy: 0.9991812174344048
Energy: 0.9170657045742812
Energy: 0.9991812174344048
Energy: 0.9347709476767929
Energy: 0.9742651097600729
Energy: 0.9107853119103336
Energy: 0.9742651097600729
Energy: 0.8856175147941271
Energy: 1.023817811421632
Energy: 0.9105360792407807
Energy: 1.023817811421632
Energy: 0.9075176219718726
Energy: 0.977281742335033
Energy: 0.8785557196119878
Energy: 0.9772817423541921
Energy: 0.880345197280441
Energy: 0.9992728521339078
Energy: 0.9131402393674938
Energy: 0.9992728521339078
Energy: 0.9492850342000834
Energy: 1.024216915570467
Energy: 0.8776743973632734
Energy: 1.024216915570467
Energy: 0.9151928903408089
Energy: 0.9127593520889716
Energy: 0.8989162843337111
Energy: 0.91275935208998
Energy: 0.9713589017483778
Energy: 1.0000569689168926
Energy: 0.8386228566471916
Energy: 1.0000569689168926
Energy: 0.8989038778968921
Energy: 0.9673667985360057
Energy: 0.9145513191088268
Energy: 0.9673667985360057
Energy: 0.9104566060396639
Energy: 1.0243796382495656
Energy: 0.8695968883516597
Energy: 1.0243796382495656
Energy: 0.8751317119928478
Energy: 0.9988639458194899
Energy: 0.9094224453116192
Energy: 0.9988639458204984
Energy: 0.8795220418290735
Energy: 0.9991358141592732
Energy: 0.909421336336709
Energy: 0.9991358141582649
Energy: 0.9102026283986152
Energy: 0.9774560631709355
Energy: 0.8694034300513502
Energy: 0.9774560631709355
Energy: 0.8994703943369524
Energy: 0.9108834869063389
Energy: 0.9114544714967109
Energy: 0.9108834869073471
Energy: 0.8681042479384256
Energy: 0.9995907156026864
Energy: 0.8367358403728491
Energy: 0.9995907156036948
Energy: 0.910067431109723
Energy: 0.9142404230567914
Energy: 0.8792259712028757
Energy: 0.9142404230567914
Energy: 0.8244504444964842
Energy: 1.0237888933996264
Energy: 0.8241626259637939
Energy: 1.0237888933996264
Energy: 0.8786550196341689
Energy: 0.9997261496173934
Energy: 0.9089595378133598
Energy: 0.9997261496173934
Energy: 0.8692632676283925
Energy: 0.976744088148392
Energy: 0.8803360708665445
Energy: 0.976744088148392
Energy: 0.8778269419330407
Energy: 1.0242260737048583
Energy: 0.9120114679121689
Energy: 1.02422607370385
Energy: 0.9193060140239593
Energy: 0.9637578127842513
Energy: 0.9159681890761189
Energy: 0.9637578127842513
Energy: 0.9285743596092961
Energy: 0.9991473998339314
Energy: 0.942121611026833
Energy: 0.9991473998339314
Energy: 0.9149730963280357
Energy: 0.9719980732089958
Energy: 0.9106254032047102
Energy: 0.9719980732100041
Energy: 0.8708799923761437
Energy: 1.0240505280106174
Energy: 0.9106152084454363
Energy: 1.0240505280106174
Energy: 0.9099460153777126
Energy: 0.9780075996407052
Energy: 0.8778140443262075
Energy: 0.9780075996386884

minimum gb energy = 0.8241626259637939 eV
minimum distance =  2.28669034280715 Angstroms
sigma value = 9


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

Energy: 0.9898235977228439
Energy: 0.9899230102721207
Energy: 0.9561407578863235
Energy: 0.9899230102733236
Energy: 0.9455698110265092
Energy: 1.0394087084605064
Energy: 0.970536294398877
Energy: 1.0394087084593033
Energy: 0.8769048324546175
Energy: 0.9854836088476009
Energy: 0.9763254772946813
Energy: 0.9854836088500066
Energy: 0.9787816486883999
Energy: 1.0576449065055256
Energy: 0.8932937859263794
Energy: 1.0576449065067284
Energy: 1.0234126648316002
Energy: 1.0389443813247161
Energy: 0.958727126321435
Energy: 1.038944381327122
Energy: 0.8675413040523567
Energy: 0.9806861225582352
Energy: 0.8943053582629319
Energy: 0.9806861225570322
Energy: 0.9763193044686108
Energy: 0.8941891893199234
Energy: 0.8947643485756261
Energy: 0.8941891893187204
Energy: 0.9516650666092592
Energy: 0.9808605515791952
Energy: 0.8864931940271198
Energy: 0.980860551581601
Energy: 0.9754436468935341
Energy: 1.0391759337879394
Energy: 0.958441882343421
Energy: 1.0391759337867366
Energy: 0.9827653244808235
Energy: 0.9885180339784285
Energy: 0.8935575793933448
Energy: 0.9885180339784285
Energy: 0.9214251679737917
Energy: 1.0397964474253918
Energy: 0.9772892366678259
Energy: 1.0397964474265946
Energy: 0.9785522021691105
Energy: 1.0105826659838404
Energy: 0.8937165964907826
Energy: 1.0105826659838404
Energy: 0.8677159296811905
Energy: 0.9889043800241941
Energy: 0.9277022196705401
Energy: 0.9889043800229911
Energy: 0.9353672043921236
Energy: 0.9804149307944703
Energy: 0.9706020240353413
Energy: 0.9804149307956732
Energy: 0.8677163162081096
Energy: 0.9890764194502989
Energy: 0.9511810469651245
Energy: 0.9890764194527046
Energy: 0.9783321631394625
Energy: 1.0098999012838699
Energy: 0.8934879959391443
Energy: 1.0098999012838699
Energy: 0.9214260667585878
Energy: 1.0396254741102955
Energy: 0.9283298030213096
Energy: 1.0396254741114985
Energy: 0.9818954774081929
Energy: 0.9884564060468692
Energy: 0.8935503881002324
Energy: 0.9884564060504781
Energy: 0.9754397836346648
Energy: 1.0390868479464208
Energy: 0.9290754783613842
Energy: 1.0390868479464208
Energy: 0.9514625125389619
Energy: 0.9806101321347402
Energy: 0.8864743621242498
Energy: 0.9806101321335372
Energy: 0.9747497616222968
Energy: 0.8943182079544463
Energy: 0.8946794660092701
Energy: 0.8943182079532433

minimum gb energy = 0.8675413040523567 eV
minimum distance =  2.36263245737158 Angstroms
sigma value = 25


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

Energy: 0.933530954097284
Energy: 1.128486404002535
Energy: 1.0678270406496744
Energy: 1.1284864040010472
Energy: 0.9210748294756593
Energy: 1.052564596458667
Energy: 0.9117055751732493
Energy: 1.052564596458667
Energy: 0.9122062483528481
Energy: 1.0632980761803776
Energy: 0.9115504550871991
Energy: 1.0632980761803776
Energy: 0.9341540165193544
Energy: 0.9233647487099876
Energy: 1.0300012693693854
Energy: 0.923364748729327
Energy: 1.026798295175972
Energy: 0.9216032880273807
Energy: 0.9600441447199201
Energy: 0.9216032880273807
Energy: 0.9150381764945849
Energy: 1.0525203603309403
Energy: 0.9142069949113969
Energy: 1.0525203603309403
Energy: 0.9439571441700683
Energy: 1.04854276100306
Energy: 0.9118333356605561
Energy: 1.04854276100306
Energy: 1.0173879113
Energy: 1.125972264933877
Energy: 0.9332865592104953
Energy: 1.125972264933877
Energy: 0.9116505680084418
Energy: 1.0482331816696913
Energy: 0.9232922693507564
Energy: 1.0482331816696913
Energy: 1.058321439695875
Energy: 1.0624558913177267
Energy: 0.9149299354053025
Energy: 1.0624558913192141
Energy: 0.9676454439140355
Energy: 0.9235869489108477
Energy: 1.1309726380565803
Energy: 0.9235869489108477
Energy: 0.9118382268839642
Energy: 0.9438391626265865
Energy: 1.0571075442672926
Energy: 0.9438391626250988
Energy: 1.0177616018617557
Energy: 1.0636430887234916
Energy: 0.9117309987383895
Energy: 1.0636430887234916
Energy: 0.9119043354541818
Energy: 0.9242210070347726
Energy: 0.9346221967947497
Energy: 0.9242210070303096
Energy: 0.9457402463446318
Energy: 1.0402119164280463
Energy: 1.0177088791603417
Energy: 1.0402119164280463
Energy: 0.9204241557416303
Energy: 0.9746193648459066
Energy: 0.9149558627969817
Energy: 0.974619364844419
Energy: 0.9118862392773569
Energy: 0.9903842576955437
Energy: 1.0564877790125766
Energy: 0.9903842576940561

minimum gb energy = 0.9115504550871991 eV
minimum distance =  2.34867410209074 Angstroms
sigma value = 17


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

Energy: 1.0368940744161093
Energy: 1.0355879521112779
Energy: 1.1179986428806095
Energy: 1.035587952112963
Energy: 1.066923076986224
Energy: 0.9982370627498346
Energy: 0.9375550848932321
Energy: 0.9982370627506769
Energy: 1.0484698492479865
Energy: 1.0345046626886962
Energy: 0.9374189090935621
Energy: 1.0345046626903813
Energy: 0.9398951687746341
Energy: 0.9471730157309974
Energy: 1.008716168399147
Energy: 0.9471730157284698
Energy: 1.0738180713149215
Energy: 1.005808083615164
Energy: 0.9744226048064111
Energy: 1.005808083616849
Energy: 0.9478247034113961
Energy: 0.9697824522835375
Energy: 1.046589564153361
Energy: 0.9697824522826951
Energy: 0.9427836162448752
Energy: 1.0405716135635612
Energy: 0.9380344318313002
Energy: 1.0405716135644036
Energy: 1.042726317999266
Energy: 0.9499003097469104
Energy: 0.9504894108396408
Energy: 0.9499003097460678
Energy: 0.9503184821295707
Energy: 1.0770434903401749
Energy: 1.0744657563470217
Energy: 1.0770434903401749
Energy: 1.1366583327270612
Energy: 1.0047018363979643
Energy: 0.9455521681592233
Energy: 1.0047018363988067
Energy: 0.942557272507686
Energy: 0.9485273358002843
Energy: 1.0505833945713814
Energy: 0.9485273357977566
Energy: 0.9516320321347365
Energy: 1.0363519690080625
Energy: 0.945339726099279
Energy: 1.0363519690063776
Energy: 1.0625420397098293
Energy: 0.9497448355643752
Energy: 0.9455551108567549
Energy: 0.9497448355635326
Energy: 0.9377812611906144
Energy: 1.0363852990691231
Energy: 1.0557830167052504
Energy: 1.0363852990682807
Energy: 1.0190133033319446
Energy: 1.0414313455963158
Energy: 0.9507864476485818
Energy: 1.0414313455963158
Energy: 1.052738723398262
Energy: 0.9500970696106252
Energy: 1.0428359544493084
Energy: 0.9500970696114677
Energy: 0.9384653191081256
Energy: 1.0270615607336313
Energy: 1.1469837490011434
Energy: 1.0270615607327889
Energy: 1.044988714962626
Energy: 1.0296728991127801
Energy: 0.9478036071797552
Energy: 1.0296728991127801
Energy: 0.938235675936899
Energy: 1.045213596300318
Energy: 1.0025993041883143
Energy: 1.0452135963011604
Energy: 0.9379933586932335
Energy: 0.9494270694769228
Energy: 0.9398449746469371
Energy: 0.9494270694752376
Energy: 0.9919824742850146
Energy: 1.033831730105183
Energy: 1.0478601911024619
Energy: 1.033831730105183
Energy: 0.9379053439577544
Energy: 1.092475766854094
Energy: 1.14154723482077
Energy: 1.092475766854094
Energy: 1.06359769848882
Energy: 1.036239291022395
Energy: 0.9381937134030092
Energy: 1.036239291022395
Energy: 0.9450279116348917
Energy: 1.0386494809401638
Energy: 1.0487546101023508
Energy: 1.038649480938479
Energy: 0.945017841003355
Energy: 1.0335471221718178
Energy: 1.0600258915199976
Energy: 1.033547122173503
Energy: 1.067942261663212
Energy: 0.9474630339863266
Energy: 0.9393789584837456
Energy: 0.947463033985484
Energy: 0.9587888128329837
Energy: 1.0726857269539383
Energy: 1.1627674550818607
Energy: 1.0726857269556234
Energy: 1.0469952291117564
Energy: 0.9749326650155671
Energy: 1.04882294554151
Energy: 0.9749326650155671
Energy: 1.1119289148002456
Energy: 1.021467913732201
Energy: 0.9423273293717528
Energy: 1.0214679137330434
Energy: 0.9515608504858662
Energy: 1.0756726553479605
Energy: 1.0459012754365087
Energy: 1.075672655348803

minimum gb energy = 0.9374189090935621 eV
minimum distance =  2.25926203877554 Angstroms
sigma value = 53


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

Energy: 0.9023339326601986
Energy: 0.9016103012632897
Energy: 1.1493399906855075
Energy: 0.9016103012632897
Energy: 1.0748872092409143
Energy: 0.9739337920881919
Energy: 0.9843257407637979
Energy: 0.9739337920862523
Energy: 0.9038874351303755
Energy: 0.9011689922990295
Energy: 1.0565824138190683
Energy: 0.9011689922990295
Energy: 0.9033478003611457
Energy: 0.9012012017828794
Energy: 1.014296823637451
Energy: 0.9012012017828794
Energy: 1.0748674882789233
Energy: 0.9740759327892464
Energy: 0.9403954850166052
Energy: 0.974075932791186
Energy: 0.9023339326601986
Energy: 0.9016103012632897
Energy: 1.131754073444931
Energy: 0.9016103012632897
Energy: 1.0748872092409143
Energy: 0.9739337920881919
Energy: 1.0473804210447168
Energy: 0.9739337920862523
Energy: 0.9038874351303755
Energy: 0.9011689922990295
Energy: 1.056582413821008
Energy: 0.9011689922990295
Energy: 0.9033478003630853
Energy: 0.9012012017828794
Energy: 0.9854879941435172
Energy: 0.9012012017828794
Energy: 1.0748674882789233
Energy: 0.9740759327892464
Energy: 0.9996129183665975
Energy: 0.9740759327892464
Energy: 0.9023339326601986
Energy: 0.9016103012632897
Energy: 1.1862998063595374
Energy: 0.9016103012632897
Energy: 1.0748872092409143
Energy: 0.9739337920881919
Energy: 1.0473804210466566
Energy: 0.9739337920862523
Energy: 0.9038874351303755
Energy: 0.9011689922990295
Energy: 1.0565824138190683
Energy: 0.9011689922970898

minimum gb energy = 0.9011689922970898 eV
minimum distance =  2.32563616406619 Angstroms
sigma value = 9


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

Energy: 0.987186479675896
Energy: 1.1222066900324776
Energy: 1.1738526899753716
Energy: 1.122206690031042
Energy: 1.1027655647076362
Energy: 1.0249367919896282
Energy: 0.9854616478907418
Energy: 1.024936791990346
Energy: 0.97107597554872
Energy: 0.9778375589306723
Energy: 0.9845818340472028
Energy: 0.9778375589292365
Energy: 1.072494404504583
Energy: 1.145362032301471
Energy: 0.9849394456263921
Energy: 1.1453620323007532
Energy: 1.095945145340804
Energy: 1.0275801085786793
Energy: 0.9829785617486075
Energy: 1.0275801085786793
Energy: 0.9785352790145245
Energy: 0.9771059788433916
Energy: 1.0797580798649768
Energy: 0.9771059788419557
Energy: 1.2458746093603204
Energy: 1.0247380047571981
Energy: 0.9829601174938953
Energy: 1.0247380047564802
Energy: 0.9763063406728357
Energy: 1.0496324302827698
Energy: 1.0853905230120793
Energy: 1.0496324302820517
Energy: 0.9726724747830082
Energy: 1.1474091700234283
Energy: 0.9840385398011638
Energy: 1.1474091700234283
Energy: 0.9724556216741104
Energy: 1.0224648930080613
Energy: 0.981919468918179
Energy: 1.022464893008779
Energy: 0.9768931001890705
Energy: 1.0389458542308059
Energy: 1.2284910777593643
Energy: 1.038945854230088
Energy: 1.096866549948601
Energy: 1.1080042106560475
Energy: 0.9764199588222805
Energy: 1.1080042106553298
Energy: 0.9730212427482952
Energy: 1.0503072483540385
Energy: 1.1621494251498534
Energy: 1.0503072483547564
Energy: 1.0758701311548857
Energy: 1.0829056927774605
Energy: 0.9908924219673395
Energy: 1.0829056927760248
Energy: 0.978889558739349
Energy: 1.094021764696465
Energy: 1.0808177932123895
Energy: 1.094021764697183
Energy: 0.9756424534806172
Energy: 1.1635629141869746
Energy: 1.0740953903810218
Energy: 1.1635629141862567
Energy: 1.0330858895499362
Energy: 1.0937584102579685
Energy: 0.9785973500832986
Energy: 1.0937584102579685
Energy: 0.9789441421238662
Energy: 1.0248188369923579
Energy: 1.0928190322083775
Energy: 1.0248188369909221
Energy: 1.0953421047236145
Energy: 1.050793297181049
Energy: 0.9797730917599905
Energy: 1.050793297181049
Energy: 0.9777365742292736
Energy: 1.0315181395583888
Energy: 1.0417106443756832
Energy: 1.0315181395583888
Energy: 1.0770905332292704
Energy: 1.1376032668347802
Energy: 1.0738238453501374
Energy: 1.137603266835498
Energy: 1.0466594044292414
Energy: 1.0825465004528765
Energy: 0.9722240637842489
Energy: 1.0825465004528765
Energy: 0.9840476061795584
Energy: 1.0979323543183876
Energy: 0.9729289314990173
Energy: 1.0979323543198234
Energy: 1.25004072440594
Energy: 1.043841927474198
Energy: 0.9753302165815612
Energy: 1.0438419274734798
Energy: 0.9837857484785429
Energy: 1.1182170575429617
Energy: 1.185667679660162
Energy: 1.1182170575443977
Energy: 1.031874799521079
Energy: 0.9776718193318442
Energy: 0.9714365832728238
Energy: 0.9776718193304084
Energy: 1.0852190065112408
Energy: 1.0968534198921045
Energy: 1.0720456858790561
Energy: 1.0968534198913864
Energy: 0.9946471738352906
Energy: 1.144594089176122
Energy: 1.0725754005332007
Energy: 1.1445940891768398
Energy: 1.0296770640974484
Energy: 0.9773276887605105
Energy: 0.9709076992623167
Energy: 0.9773276887590746
Energy: 0.985140590096153
Energy: 1.1170827983120817
Energy: 1.1754190682588033
Energy: 1.1170827983113638
Energy: 1.1854473522413298
Energy: 1.0455398971935093
Energy: 0.9747673410106293
Energy: 1.0455398971949452
Energy: 0.9855778361772065
Energy: 1.0256841490738624
Energy: 0.9715244325965513
Energy: 1.0256841490731443
Energy: 0.9846207814933106
Energy: 1.085911555938134
Energy: 0.9713186309226967
Energy: 1.0859115559395698
Energy: 1.0808500602358784
Energy: 1.1401211523102175
Energy: 1.0727400987625235
Energy: 1.1401211523109351
Energy: 0.9823965834280804
Energy: 1.1186498447909645
Energy: 1.2458615170182226
Energy: 1.1186498447895286

minimum gb energy = 0.9709076992623167 eV
minimum distance =  2.28234728126437 Angstroms
sigma value = 73


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

Energy: 1.0518115866557087
Energy: 1.0479691456459066
Energy: 1.1704932186346801
Energy: 1.0479691456459066
Energy: 1.0453235523821482
Energy: 1.059505072033137
Energy: 0.9849904616160836
Energy: 1.0595050720342758
Energy: 0.980860539388322
Energy: 0.9822025120298449
Energy: 0.9822501786994172
Energy: 0.9822025120309839
Energy: 0.9708660870629627
Energy: 0.9886923252267342
Energy: 0.9920666521945306
Energy: 0.9886923252267342
Energy: 1.0245684215893351
Energy: 1.0563478895521667
Energy: 1.0230662163921604
Energy: 1.0563478895521667
Energy: 0.9897817421304949
Energy: 0.9828625893094027
Energy: 1.1405728203477075
Energy: 0.9828625893094027
Energy: 1.2307967930365027
Energy: 1.1112383667475754
Energy: 0.982952372359392
Energy: 1.1112383667464363
Energy: 0.9758127200653478
Energy: 0.9796263840669157
Energy: 1.152947584840654
Energy: 0.9796263840691938
Energy: 1.1951318998030496
Energy: 0.981128517992148
Energy: 0.9843293721748754
Energy: 0.981128517992148
Energy: 0.9812015584341398
Energy: 1.04803250218346
Energy: 0.9816303892718736
Energy: 1.04803250218346
Energy: 0.9782647232157478
Energy: 0.9809336386608767
Energy: 1.1429300576362078
Energy: 0.9809336386608767
Energy: 1.096125376055859
Energy: 0.9891268592354641
Energy: 0.9713412345285165
Energy: 0.9891268592343251
Energy: 0.9914940650718839
Energy: 1.044514471386768
Energy: 1.1594479671315148
Energy: 1.044514471389046
Energy: 1.172638090029837
Energy: 1.1038697789514706
Energy: 0.9898105154116609
Energy: 1.1038697789514706
Energy: 0.9747206839404858
Energy: 1.1231515134504104
Energy: 1.1445079359925692
Energy: 1.1231515134492713
Energy: 1.144644424897474
Energy: 0.9800332155647172
Energy: 0.9759852046711454
Energy: 0.9800332155635781
Energy: 1.0429794423174488
Energy: 1.043275956071492
Energy: 0.9807070657433956
Energy: 1.043275956072631
Energy: 1.0444585213416873
Energy: 0.9892454759171005
Energy: 0.9809806454362363
Energy: 0.9892454759182396
Energy: 1.0876345235815623
Energy: 0.980484057224103
Energy: 0.9751181893767714
Energy: 0.980484057222964
Energy: 0.98474564279254
Energy: 1.0642680989129354
Energy: 1.1797942648763744
Energy: 1.0642680989117963
Energy: 1.1617756373065213
Energy: 0.9808215349877202
Energy: 0.9892767683444348
Energy: 0.9808215349865813
Energy: 0.9933970375144006
Energy: 1.0565944673330347
Energy: 1.0545968541711392
Energy: 1.0565944673318957

minimum gb energy = 0.9708660870629627 eV
minimum distance =  2.2951322667447 Angstroms
sigma value = 7


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

Energy: 1.0056176511798298
Energy: 1.0041556295422374
Energy: 1.2281810097973827
Energy: 1.0041556295430427
Energy: 1.2091826327127275
Energy: 1.0420963385869113
Energy: 0.9873412149795134
Energy: 1.0420963385892912
Energy: 0.9809251019706663
Energy: 1.0040001474048652
Energy: 1.0024668770761358
Energy: 1.0040001474064761
Energy: 1.0016395740790667
Energy: 1.0614251965497712
Energy: 0.9870812923631057
Energy: 1.0614251965537982
Energy: 0.9818291321080739
Energy: 1.044514350017036
Energy: 0.9995037739957892
Energy: 1.0445143500138143
Energy: 0.9797821681053456
Energy: 1.0053905663010294
Energy: 1.1739680370729757
Energy: 1.0053905663050562
Energy: 1.099039206825809
Energy: 1.0840455012523262
Energy: 0.9999330063053917
Energy: 1.0840455012515209
Energy: 0.9798175902648463
Energy: 1.0050406848309388
Energy: 1.1994551584741784
Energy: 1.0050406848317441
Energy: 1.1092369532496869
Energy: 1.0515371521638905
Energy: 0.9882123245618715
Energy: 1.0515371521655013
Energy: 0.9803110878109458
Energy: 1.0652087289563688
Energy: 1.0863125641098588
Energy: 1.0652087289620065
Energy: 1.0025079361325615
Energy: 1.0067395004793358
Energy: 1.0020612431492222
Energy: 1.0067395004761142
Energy: 1.0111974230823304
Energy: 1.0449180647831704
Energy: 1.0035092793648002
Energy: 1.0449180647791436
Energy: 1.008844125270216
Energy: 1.0063467103356956
Energy: 1.0038635776119154
Energy: 1.0063467103381116
Energy: 1.0019789997880146
Energy: 0.9996013992394351
Energy: 1.0028592506145704
Energy: 0.9996013992354081
Energy: 0.9792205726992869
Energy: 1.143880712803514
Energy: 1.1052104538009075
Energy: 1.1438807128059303
Energy: 1.2566556690680957
Energy: 0.9990492287244513
Energy: 0.9894294913962887
Energy: 0.9990492287260622
Energy: 0.9790014815885872
Energy: 1.0450948925366352
Energy: 1.0341662664293148
Energy: 1.0450948925382462
Energy: 0.9952918619076689
Energy: 1.0262613905403681
Energy: 1.0033730018216995
Energy: 1.0262613905387574
Energy: 0.9793914489927672
Energy: 1.0058084514384953
Energy: 1.003003689418629
Energy: 1.005808451436079
Energy: 0.9802379766123028
Energy: 1.0460531422761155
Energy: 1.0033385603257043
Energy: 1.0460531422777264
Energy: 1.003266297590188
Energy: 1.1377173569420505
Energy: 0.9881438283098709
Energy: 1.137717356947688
Energy: 0.9800104357587258
Energy: 1.0041262250748122
Energy: 1.0891230099392202
Energy: 1.0041262250740066
Energy: 1.1866680076131706
Energy: 1.0512351643083573
Energy: 1.0017693181575604
Energy: 1.0512351643035251
Energy: 1.006772119794205
Energy: 1.0048021747541462
Energy: 1.1733296921872665
Energy: 1.0048021747589786
Energy: 1.0107679373173608
Energy: 1.046375426977259
Energy: 1.0023699837023639
Energy: 1.046375426969205
Energy: 1.0012362545798215
Energy: 1.0045684196264921
Energy: 1.0019994463013353
Energy: 1.0045684196240758
Energy: 0.9816333210594335
Energy: 1.0628015811702387
Energy: 1.089070884689298
Energy: 1.0628015811782927
Energy: 1.0021387823259196
Energy: 1.0447848072459345
Energy: 0.9873439992180941
Energy: 1.0447848072475452
Energy: 0.9804042818585821
Energy: 1.00483757070163
Energy: 1.1094612253825502
Energy: 1.004837570700019
Energy: 1.0114392886578085
Energy: 1.0012298839185505
Energy: 0.9875480365586106
Energy: 1.001229883919356
Energy: 0.9804346474222965
Energy: 1.0044617861066047
Energy: 1.152956914907259
Energy: 1.004461786109021

minimum gb energy = 0.9790014815885872 eV
minimum distance =  2.27527513758909 Angstroms
sigma value = 29


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

Energy: 0.9660872126324485
Energy: 0.9514294935555497
Energy: 1.094015219242594
Energy: 0.9514294935555497
Energy: 0.9364358224724391
Energy: 0.9682271533933725
Energy: 0.9472156533130119
Energy: 0.9682271533922816
Energy: 0.9757029384501457
Energy: 1.0115974379780681
Energy: 1.0572248689143044
Energy: 1.0115974379778188
Energy: 0.9696761666300492
Energy: 0.9368337308731666
Energy: 0.9476320427736263
Energy: 0.9368337308726368
Energy: 0.9665537682908997
Energy: 0.992613878869253
Energy: 0.9723760985223434
Energy: 0.992613878869253
Energy: 0.9545385733020852
Energy: 1.0113879455780026
Energy: 0.9545410094674003
Energy: 1.0113879455785637
Energy: 0.9524248452088402
Energy: 0.9926584864898778
Energy: 0.9666659425526783
Energy: 0.9926584864898778
Energy: 0.9467409244638562
Energy: 0.936340870206704
Energy: 0.9670748336770497
Energy: 0.936340870206704
Energy: 1.057175814442172
Energy: 1.0114025149809485
Energy: 0.9417051563080371
Energy: 1.0114025149809485

minimum gb energy = 0.936340870206704 eV
minimum distance =  2.31981479119945 Angstroms
sigma value = 5


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

Energy: 0.9280500772058038
Energy: 0.9427464329314258
Energy: 1.0727748301273612
Energy: 0.9427464329321865
Energy: 1.0654930876074908
Energy: 0.9590927101406034
Energy: 0.8979893808327083
Energy: 0.9590927101421249
Energy: 0.9048367943993347
Energy: 0.9350288826863726
Energy: 1.0653635446142302
Energy: 0.9350288826856119
Energy: 0.8967052288918129
Energy: 0.9779910744070919
Energy: 0.9082120346417347
Energy: 0.9779910744070919
Energy: 0.9149150601145632
Energy: 0.983291011609045
Energy: 1.0867745355816334
Energy: 0.983291011609045
Energy: 0.936052442362494
Energy: 0.9453475393333749
Energy: 0.8973345719054658
Energy: 0.9453475393333749
Energy: 0.904257391491826
Energy: 0.9825509101737622
Energy: 0.9118930257584572
Energy: 0.9825509101722404
Energy: 0.9014339868621534
Energy: 0.9463818206416259
Energy: 0.906582082958134
Energy: 0.9463818206401043
Energy: 0.9150340110944323
Energy: 0.9825309130691037
Energy: 0.8989402014579021
Energy: 0.9825309130706252
Energy: 0.9113300467663557
Energy: 0.9827352334245454
Energy: 0.897794558917424
Energy: 0.982735233426067
Energy: 0.9187641075587827
Energy: 0.9463997929808717
Energy: 0.9057334534036077
Energy: 0.9463997929816325
Energy: 0.9064652554149686
Energy: 0.9938489729082003
Energy: 0.9435777065264519
Energy: 0.9938489729089611
Energy: 0.9358308386420586
Energy: 0.94373997752547
Energy: 0.9432694690894545
Energy: 0.9437399775262307
Energy: 0.9154440254381556
Energy: 0.9437490437295446
Energy: 0.9107589204493465
Energy: 0.9437490437303055
Energy: 1.0854761810545164
Energy: 0.9790082868723521
Energy: 0.9059148122437731
Energy: 0.9790082868715912
Energy: 0.9096517666758016
Energy: 0.9348321888322847
Energy: 0.9190266068826161
Energy: 0.9348321888322847
Energy: 1.0669944740745085
Energy: 0.9958427447364364
Energy: 0.9090056052012518
Energy: 0.9958427447371972
Energy: 0.9162056260418704
Energy: 0.9436176178279246
Energy: 0.9917969443216489
Energy: 0.9436176178286856
Energy: 0.9032861212998082
Energy: 0.9840497548171478
Energy: 0.8985754795613364
Energy: 0.9840497548171478
Energy: 0.9044928414490286
Energy: 0.9772312277459311
Energy: 0.9312244716308143
Energy: 0.9772312277459311
Energy: 0.8962046973314522
Energy: 0.944901607952134
Energy: 0.9092465637882666
Energy: 0.944901607952134
Energy: 0.9155593193655123
Energy: 0.9828976483966574
Energy: 0.9182740236587383
Energy: 0.9828976483966574
Energy: 0.8976790948280066
Energy: 0.9456848595612716
Energy: 0.8956254738760413
Energy: 0.9456848595627931
Energy: 0.9585919220369052
Energy: 0.9448076117278235
Energy: 0.9052418351236773
Energy: 0.9448076117285842
Energy: 0.9529008579511888
Energy: 0.9351182393712545
Energy: 0.8990214602831853
Energy: 0.9351182393704937
Energy: 0.934815064128867
Energy: 0.9439655926558406
Energy: 0.9148254037813296
Energy: 0.9439655926566013
Energy: 0.8974822859741535
Energy: 0.9709314801810077
Energy: 0.9223827792438473
Energy: 0.9709314801817687
Energy: 0.9436407603486987
Energy: 0.9625821414239539
Energy: 0.9096820191858555
Energy: 0.9625821414262363
Energy: 0.9058168919930442
Energy: 0.9597431230107459
Energy: 1.0767762709821116
Energy: 0.9597431230107459
Energy: 1.0143395444117742
Energy: 0.9433080847980698
Energy: 0.9162523199400026
Energy: 0.9433080847980698
Energy: 0.8972314447248227
Energy: 0.9204922061071504
Energy: 1.013270600620057
Energy: 0.9204922061071504
Energy: 1.0676006721866602
Energy: 0.9598749687271282
Energy: 0.9051105321412225
Energy: 0.9598749687271282
Energy: 0.9085609701246933
Energy: 0.9458959153286084
Energy: 0.8970245079851477
Energy: 0.9458959153293692

minimum gb energy = 0.8956254738760413 eV
minimum distance =  2.28547832600308 Angstroms
sigma value = 1


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

Energy: 0.9019285515064859
Energy: 0.9009893527961328
Energy: 0.8984265848354838
Energy: 0.9009893527961328
Energy: 0.8983835856144029
Energy: 0.9137258631068231
Energy: 0.8624970672807202
Energy: 0.9137258631089271
Energy: 0.8507158907991397
Energy: 0.9014432506167839
Energy: 1.0218151146269467
Energy: 0.9014432506178358
Energy: 0.8729053387001575
Energy: 0.9543041923314938
Energy: 0.8623250576089735
Energy: 0.9543041923314938
Energy: 0.8505074842278683
Energy: 0.9827035535116945
Energy: 1.0485952579151543
Energy: 0.9827035535085388
Energy: 0.85030727724107
Energy: 0.9047055763061395
Energy: 0.8622665429885511
Energy: 0.9047055763082433
Energy: 0.8503222209895405
Energy: 0.9820243221521326
Energy: 0.8925076649766225
Energy: 0.9820243221531608
Energy: 0.8506249738187105
Energy: 0.9043287491522701
Energy: 0.8935572200924844
Energy: 0.9043287491512183
Energy: 0.900114877885853
Energy: 0.8977919962156439
Energy: 0.8974457268069278
Energy: 0.8977919962125122
Energy: 0.9001893999536502
Energy: 0.8978124157047257
Energy: 0.9056947022998187
Energy: 0.8978124157057537
Energy: 0.8503455694896813
Energy: 0.9044278963744273
Energy: 0.8788947461400202
Energy: 0.9044278963723233
Energy: 0.850321419809443
Energy: 0.9821174920330246
Energy: 0.9003009475463868
Energy: 0.9821174920319726
Energy: 0.8501435888996319
Energy: 0.9046184725450253
Energy: 0.8624140300984539
Energy: 0.9046184725450253
Energy: 0.8503468995935737
Energy: 0.9825297366374559
Energy: 1.081811051951726
Energy: 0.982529736635352
Energy: 0.8730743265646611
Energy: 0.9544702552908519
Energy: 0.8622578203726706
Energy: 0.9544702552898001
Energy: 0.8508719045127442
Energy: 0.9012851921886423
Energy: 0.9283598762692081
Energy: 0.9012851921886423
Energy: 0.8983435722290496
Energy: 0.9138173400047495
Energy: 0.8624679651909801
Energy: 0.9138173400036975
Energy: 0.9019285515075378
Energy: 0.9009893527961328
Energy: 0.9012382320998191
Energy: 0.9009893527961328
Energy: 0.8983835856122991
Energy: 0.9137258631068231
Energy: 0.8624970672807202
Energy: 0.9137258631078751
Energy: 0.8507158907991397
Energy: 0.9014432506167839
Energy: 1.191385486007787
Energy: 0.9014432506188877
Energy: 0.872905338722224
Energy: 0.9543041923304418
Energy: 0.8623250576089735
Energy: 0.9543041923314938
Energy: 0.8505074842268164
Energy: 0.9827035535106426
Energy: 1.0485952579151543
Energy: 0.9827035535085388
Energy: 0.8503072772400181
Energy: 0.9047055763061395
Energy: 0.8622665429874993
Energy: 0.9047055763082433
Energy: 0.8503222209905924
Energy: 0.9820243221521326
Energy: 0.8771747091021623
Energy: 0.9820243221531608

minimum gb energy = 0.8501435888996319 eV
minimum distance =  2.3030717899553 Angstroms
sigma value = 17


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

Energy: 0.8902467256999717
Energy: 0.8887453289412085
Energy: 1.0368568450377302
Energy: 0.8887453289412085
Energy: 0.9901513758814364
Energy: 0.8773588727706597
Energy: 0.8574999790326484
Energy: 0.8773588727700096
Energy: 0.8572103642207988
Energy: 0.878337472194448
Energy: 1.0731459533914214
Energy: 0.8783374721963986
Energy: 0.8865411998161662
Energy: 0.8592964182252686
Energy: 0.8518367645367023
Energy: 0.8592964181791655
Energy: 0.8503116531225239
Energy: 0.9422829326281588
Energy: 0.8745200928858923
Energy: 0.9422829326288089
Energy: 0.8463835474933709
Energy: 0.8669655596629599
Energy: 0.8659104225472513
Energy: 0.866965559660359
Energy: 0.8606430459166159
Energy: 0.927455891455192
Energy: 0.9070116638325098
Energy: 0.927455891455192
Energy: 0.847194859577027
Energy: 0.9217997749392193
Energy: 0.8457659482601135
Energy: 0.9217997749405197
Energy: 0.8914905249564298
Energy: 0.915820200669354
Energy: 0.883962593062236
Energy: 0.9158202006687037
Energy: 0.8889463737046209
Energy: 0.9180433568489675
Energy: 0.8599928326892674
Energy: 0.9180433568476671
Energy: 0.8569991975550876
Energy: 0.9013031480511318
Energy: 0.8458833065905029
Energy: 0.9013031480504816
Energy: 0.859520576466156
Energy: 0.9210861465306686
Energy: 0.8530991905043774
Energy: 0.9210861465313187
Energy: 0.8445445187265643
Energy: 0.9101012595210577
Energy: 0.852466757184759
Energy: 0.9101012595210577
Energy: 0.8506454741088741
Energy: 0.940984553782466
Energy: 0.9078776076810073
Energy: 0.9409845537831162
Energy: 0.8461016158272494
Energy: 0.859389274099695
Energy: 0.8966331223109596
Energy: 0.8593892741003453
Energy: 0.8570621204950453
Energy: 0.8794632071519052
Energy: 0.8671041612110905
Energy: 0.8794632071506049
Energy: 0.8628711640023908
Energy: 0.860544869369659
Energy: 0.852444356209173
Energy: 0.8605448693677085
Energy: 0.852453036495755
Energy: 0.8896131912694039
Energy: 0.8599720018617888
Energy: 0.889613191270054
Energy: 0.9820413549694036
Energy: 0.9235071213518958
Energy: 0.8588909912263348
Energy: 0.9235071213512457
Energy: 0.865133666278834
Energy: 0.8783834352646142
Energy: 0.8877410088853686
Energy: 0.8783834352659146
Energy: 0.8565273633209559
Energy: 0.8699998722516644
Energy: 0.8531411221745845
Energy: 0.8699998722477633
Energy: 0.8529405364055456
Energy: 0.8905882552525711
Energy: 0.8553032358708487
Energy: 0.890588255251921
Energy: 0.8756452814220194
Energy: 0.8623130889985177
Energy: 0.8661185469304461
Energy: 0.8623130889965671
Energy: 0.8575507089123302
Energy: 0.9287560132871372
Energy: 0.9895231178347851
Energy: 0.9287560132858368
Energy: 0.873456211720344
Energy: 0.8901550218702151
Energy: 0.8525042081046851
Energy: 0.8901550218689147
Energy: 0.8520454881097909
Energy: 0.9430384068969363
Energy: 0.863321754275103
Energy: 0.9430384068982366
Energy: 1.0026823233214583
Energy: 0.9104725881419066
Energy: 0.8581432396438747
Energy: 0.9104725881406062
Energy: 0.8998790837779028
Energy: 1.0212568021433208
Energy: 0.8455883616130289
Energy: 1.021256802143971
Energy: 0.9040901192573195
Energy: 0.9406449173474405
Energy: 0.851674594985529
Energy: 0.9406449173441898
Energy: 0.8522300290406876
Energy: 0.9095226985701865
Energy: 0.8732787902360124
Energy: 0.9095226985714868
Energy: 0.8571208700689298
Energy: 0.9408467442794385
Energy: 0.8642879732486877
Energy: 0.9408467442781381
Energy: 0.8456868824478647
Energy: 0.8967609148507759
Energy: 0.8545327216991556
Energy: 0.8967609148462248
Energy: 0.8579161955472252
Energy: 0.9170923885290034
Energy: 1.024889009160663
Energy: 0.9170923885322543
Energy: 0.8737837392415212
Energy: 1.0360736097936214
Energy: 0.867277235574107
Energy: 1.0360736097903704
Energy: 0.8519103020519763
Energy: 0.8903399093706195
Energy: 0.8814597278082117
Energy: 0.8903399093706195
Energy: 0.9002730424344023
Energy: 0.9286885825106975
Energy: 0.859302131917918
Energy: 0.9286885825080968
Energy: 0.8661554507348365
Energy: 0.8629368791225343
Energy: 0.8474258443753714
Energy: 0.8629368791238345
Energy: 0.8613300068148279
Energy: 0.9432739048174789
Energy: 0.8530779555279138
Energy: 0.9432739048161786

minimum gb energy = 0.8445445187265643 eV
minimum distance =  2.28991924796953 Angstroms
sigma value = 89


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

Energy: 0.7863708735711413
Energy: 0.7855283134812099
Energy: 1.2018756738272456
Energy: 0.7855283134795087
Energy: 0.7880687875328182
Energy: 0.811870709966348
Energy: 0.7947626421924237
Energy: 0.811870709966348
Energy: 0.7937811515481478
Energy: 0.9195784593590177
Energy: 1.3182242402041229
Energy: 0.9195784593590177
Energy: 0.7843041870580064
Energy: 0.8118790981984093
Energy: 0.7952165360384305
Energy: 0.8118790981984093
Energy: 0.7867301429736832
Energy: 0.8617382657742149
Energy: 0.788337323869626
Energy: 0.8617382657742149
Energy: 0.7879034425219604
Energy: 0.7869187908952053
Energy: 0.7899977387104818
Energy: 0.7869187908935041
Energy: 0.793669707192986
Energy: 0.9194710655331207
Energy: 0.7953215147220308
Energy: 0.9194710655331207
Energy: 0.7845552340444861
Energy: 0.920472296401443
Energy: 0.7946376659198106
Energy: 0.9204722963997418
Energy: 0.7869081917134616
Energy: 0.8625296402433721
Energy: 0.7887776769707391
Energy: 0.8625296402433721
Energy: 0.8127542282072712
Energy: 0.8587864516925775
Energy: 0.788670491592426
Energy: 0.8587864516925775
Energy: 0.7851285709731908
Energy: 0.8126726016259945
Energy: 0.7954721699359999
Energy: 0.8126726016259945
Energy: 0.7852101819070958
Energy: 0.92020911145396
Energy: 0.7958854360242398
Energy: 0.92020911145396
Energy: 0.7867797244579245
Energy: 0.7884673949947262
Energy: 0.7796626965360295
Energy: 0.7884673949947262
Energy: 0.7890709648238708
Energy: 0.8601246379624542
Energy: 0.7888912461324743
Energy: 0.8601246379641554
Energy: 0.7825840597722434
Energy: 0.7884869732631471
Energy: 0.7867455110018098
Energy: 0.7884869732614459

minimum gb energy = 0.7796626965360295 eV
minimum distance =  2.31425798557832 Angstroms
sigma value = 13


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

Energy: 0.7741686127677199
Energy: 0.745351382584378
Energy: 0.9461376703769371
Energy: 0.7453513825800998
Energy: 0.8941157887081917
Energy: 0.7634386589669879
Energy: 0.7394059303253634
Energy: 0.763438658967701
Energy: 0.7469638506733095
Energy: 0.7458152252400673
Energy: 1.1031371506291436
Energy: 0.7458152252379283
Energy: 0.7510178172484303
Energy: 0.7639923200719577
Energy: 0.7358177711373316
Energy: 0.7639923200712446
Energy: 0.7541819624839432
Energy: 0.8023503665578154
Energy: 0.7507609448606501
Energy: 0.8023503665592414
Energy: 0.7430050762762683
Energy: 0.7646472369352085
Energy: 0.7562531041496393
Energy: 0.7646472369330694
Energy: 0.7542429054828451
Energy: 0.8042049547161381
Energy: 0.8239578101764553
Energy: 0.8042049547282595
Energy: 0.7288482401377628
Energy: 0.7637180560551543
Energy: 0.7565510082101495
Energy: 0.7637180560530153
Energy: 0.7541516344192303
Energy: 0.8041302145050374
Energy: 0.8910077088161822
Energy: 0.8041302145014722
Energy: 0.8924479581103103
Energy: 0.8185827212215611
Energy: 0.7359432216210238
Energy: 0.8185827212194219
Energy: 0.7541941380443469
Energy: 0.8199745548701364
Energy: 0.7369397197458892
Energy: 0.8199745548729885
Energy: 0.7703890173667947
Energy: 0.8186407178363597
Energy: 0.7352991063082585
Energy: 0.8186407178370726
Energy: 0.7823198548509436
Energy: 0.7595061927088687
Energy: 0.7373632817256398
Energy: 0.7595061927024513
Energy: 1.0090617284910544
Energy: 0.8191005456198165
Energy: 0.7354260345962934
Energy: 0.8191005456169643
Energy: 0.7544084296558763
Energy: 0.7457752003993536
Energy: 0.7376411445939824
Energy: 0.7457752003957887
Energy: 0.7465008632306255
Energy: 0.8194709270723407
Energy: 0.7390386196672964
Energy: 0.8194709270730538
Energy: 0.7551241107659411
Energy: 0.7994902281453689
Energy: 0.7393545181290156
Energy: 0.7994902281453689
Energy: 0.7503817339064002
Energy: 0.8019581705756164
Energy: 0.7641769660360741
Energy: 0.8019581705749033
Energy: 0.7553232182073356
Energy: 0.759807450591773
Energy: 0.7643570405827212
Energy: 0.7598074505960511
Energy: 0.7555274173578153
Energy: 0.7598438273797614
Energy: 0.7643554398633106
Energy: 0.7598438273811874
Energy: 0.7506283213972433
Energy: 0.8018640360298681
Energy: 0.7642646835510781
Energy: 0.8018640360291551
Energy: 0.7555117713196937
Energy: 0.7995880910765751
Energy: 0.7392886103479849
Energy: 0.7995880910858446
Energy: 0.751758218087021
Energy: 0.8194023450812905
Energy: 0.7398390595978207
Energy: 0.8194023450848557
Energy: 0.7540656258290519
Energy: 0.7458118803179571
Energy: 0.7388937482324371
Energy: 0.7458118803186701
Energy: 1.0098619555152204
Energy: 0.8191375123466405
Energy: 0.7359544168957944
Energy: 0.8191375123494924
Energy: 0.7822195463726496
Energy: 0.7595377158108264
Energy: 0.7384158836342299
Energy: 0.7595377158136786
Energy: 0.7703327611879595
Energy: 0.818729601311362
Energy: 0.7351794827895561
Energy: 0.818729601309223
Energy: 0.7543159841395725
Energy: 0.819911649529518
Energy: 0.7384818140281888
Energy: 0.8199116495387874
Energy: 0.8928933701422433
Energy: 0.8187472140245348
Energy: 0.7359210672871387
Energy: 0.8187472140202567
Energy: 0.7542203361887351
Energy: 0.8039642259430093
Energy: 0.999934444802114
Energy: 0.8039642259458615
Energy: 0.7337837067605638
Energy: 0.7638501093030725
Energy: 0.7566119360653586
Energy: 0.7638501093044987
Energy: 0.7539565619478199
Energy: 0.8041110121315292
Energy: 0.8819756227540279
Energy: 0.8041110121358076
Energy: 0.7429452341938473
Energy: 0.764524406248175
Energy: 0.756687890503511
Energy: 0.764524406251027
Energy: 0.754237893360276
Energy: 0.8024051867078182
Energy: 0.7490152441018846
Energy: 0.8024051867071051
Energy: 0.7508353371064731
Energy: 0.7636816350220481
Energy: 0.7357779028973019
Energy: 0.7636816350163439

minimum gb energy = 0.7288482401377628 eV
minimum distance =  2.32702188419554 Angstroms
sigma value = 37


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

Energy: 0.8380043777665702
Energy: 0.7276752098413479
Energy: 0.8860240018370651
Energy: 0.7276752098413479
Energy: 0.819505125096118
Energy: 0.7066548659707919
Energy: 0.6770640294574002
Energy: 0.7066548659720187
Energy: 0.7009080097639628
Energy: 0.796274541886751
Energy: 0.9595768752903089
Energy: 0.7962745418879777
Energy: 0.7907741023358723
Energy: 0.7068944549829453
Energy: 0.6846556939857553
Energy: 0.706894454984172
Energy: 0.6831780809367641
Energy: 0.7063594891699574
Energy: 0.6967837412449035
Energy: 0.7063594891699574
Energy: 0.6780600276740529
Energy: 0.7064099905637165
Energy: 0.7991083264641871
Energy: 0.7064099905624898
Energy: 0.6946970786804586
Energy: 0.7468674383519156
Energy: 1.0320986580278448
Energy: 0.7468674383506888
Energy: 0.6682665736254879
Energy: 0.7072849622568252
Energy: 0.7097831963512777
Energy: 0.707284962258052
Energy: 0.6778268892508179
Energy: 0.7067507673289711
Energy: 0.9063324454192512
Energy: 0.7067507673289711
Energy: 0.9568314928413127
Energy: 0.7867078566691648
Energy: 0.7991098351774092
Energy: 0.7867078566691648
Energy: 0.6832282672875697
Energy: 0.762641522319702
Energy: 0.7934511880251254
Energy: 0.7626415223209287
Energy: 0.9676069278916984
Energy: 0.7069324528720287
Energy: 0.685268311437353
Energy: 0.7069324528720287
Energy: 0.8008288964514477
Energy: 0.7062689076745088
Energy: 0.6705772374078103
Energy: 0.7062689076732821
Energy: 1.029838782299324
Energy: 0.7389588484451516
Energy: 0.6681531582361683
Energy: 0.7389588484463782
Energy: 0.8413009593540203
Energy: 0.7397347467155453
Energy: 0.6722918412607843
Energy: 0.7397347467143186
Energy: 0.8378280538848224
Energy: 0.7070750385151457
Energy: 0.6806344126239652
Energy: 0.7070750385126923
Energy: 0.80087474359129
Energy: 0.7870186971806498
Energy: 0.6730232553486842
Energy: 0.7870186971818764
Energy: 0.791038292521928
Energy: 0.7642308468098241
Energy: 0.6813048990739615
Energy: 0.7642308468098241
Energy: 0.6834560279314009
Energy: 0.7082755754080132
Energy: 0.6798163135907598
Energy: 0.7082755754080132
Energy: 0.6799824900661472
Energy: 0.7074442907737519
Energy: 0.8049210810579729
Energy: 0.7074442907749787

minimum gb energy = 0.6681531582361683 eV
minimum distance =  2.3332187995793 Angstroms
sigma value = 25


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

Energy: 0.7451820888261117
Energy: 0.6217208187244935
Energy: 0.5934053371519268
Energy: 0.6217208187235355
Energy: 0.8802767063679886
Energy: 0.62535436321746
Energy: 0.6126378765937165
Energy: 0.62535436321746
Energy: 0.7076349672659538
Energy: 0.6191475244174706
Energy: 0.8195439279157802
Energy: 0.6191475244165126
Energy: 0.7075850346739407
Energy: 0.6384273345355567
Energy: 0.6139536712399013
Energy: 0.6384273345345987
Energy: 0.6221006573683412
Energy: 0.6254973647211285
Energy: 0.610429925135514
Energy: 0.6254973647192127
Energy: 0.6847151087993908
Energy: 0.6195578573631808
Energy: 0.6221335491143094
Energy: 0.6195578573660545
Energy: 0.6128119813836634
Energy: 0.6079842355307387
Energy: 0.7080321505246692
Energy: 0.6079842355316966
Energy: 0.5911777588529095
Energy: 0.6452359640500086
Energy: 0.7085156413200512
Energy: 0.6452359640519244
Energy: 0.6120866644713384
Energy: 0.6295343892328614
Energy: 0.9013982080111832
Energy: 0.6295343892328614
Energy: 0.5866709606322532
Energy: 0.6128253644033017
Energy: 0.6470804368039421
Energy: 0.6128253644013858
Energy: 0.612641749425246
Energy: 0.6079421675050762
Energy: 0.9809583495612281
Energy: 0.6079421675041183
Energy: 0.8253901813806321
Energy: 0.7141242205453011
Energy: 0.7083982600114349
Energy: 0.714124220546259
Energy: 0.6149547311582215
Energy: 0.6381853508141563
Energy: 0.9785262477557697
Energy: 0.6381853508151142
Energy: 0.8324192179684786
Energy: 0.6740162468510532
Energy: 0.6218756526871766
Energy: 0.6740162468520111
Energy: 0.624166188279965
Energy: 0.608411717257253
Energy: 0.6940699998243721
Energy: 0.6084117172601268
Energy: 0.9129357433883444
Energy: 0.7112571682524216
Energy: 0.6151413193529716
Energy: 0.7112571682533795
Energy: 0.7109778830522192
Energy: 0.6455157395206993
Energy: 0.5976858059871479
Energy: 0.6455157395197414
Energy: 0.9085977668698357
Energy: 0.6251687420693711
Energy: 0.6129568259876913
Energy: 0.6251687420693711
Energy: 0.7485754278991955
Energy: 0.6190091662050443
Energy: 0.5960195018489319
Energy: 0.6190091661858859
Energy: 1.0553080255351832
Energy: 0.7114545118677986
Energy: 0.6152084375776827
Energy: 0.7114545118677986
Energy: 0.7110015493940717
Energy: 0.7096150628758023
Energy: 0.5839808695988793
Energy: 0.7096150628767603
Energy: 0.710506986383087
Energy: 0.638656061728586
Energy: 0.6175396044074212
Energy: 0.638656061727628
Energy: 0.6242248407818015
Energy: 0.6715771907524619
Energy: 0.836652122338927
Energy: 0.671577190751504
Energy: 0.6901809440752846
Energy: 0.7113258478364312
Energy: 0.6273412223874961
Energy: 0.7113258478364312
Energy: 0.6192024983086105
Energy: 0.7098013873160782
Energy: 0.9111277514255933
Energy: 0.7098013873141624
Energy: 0.5966825605748955
Energy: 0.6461999742717826
Energy: 0.7120522819079093
Energy: 0.6461999742736985

minimum gb energy = 0.5839808695988793 eV
minimum distance =  2.33627150395528 Angstroms
sigma value = 41


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

Energy: 0.8610178634617247
Energy: 0.5636121313327959
Energy: 0.7766074415358453
Energy: 0.5636121313343665
Energy: 0.8708223599301694
Energy: 0.5510302399361601
Energy: 0.5431278028430141
Energy: 0.5510302399353749
Energy: 0.5627942686924289
Energy: 0.5411227070114256
Energy: 0.5331902521729283
Energy: 0.5411227070114256
Energy: 0.7086746369770706
Energy: 0.5515195476763571
Energy: 0.5431099523701224
Energy: 0.5515195476771424
Energy: 0.5404010659075591
Energy: 0.5792492424062267
Energy: 0.5401756716023373
Energy: 0.5792492424109386
Energy: 0.5465896324126851
Energy: 0.5519426048875455
Energy: 0.5431850825912028
Energy: 0.5519426048875455
Energy: 0.5423428833012398
Energy: 0.551446179787739
Energy: 0.5465172020004939
Energy: 0.5514461797893098
Energy: 0.5282731034548107
Energy: 0.5635470291595828
Energy: 0.5408317916202204
Energy: 0.5635470291595828
Energy: 0.5450801934888232
Energy: 0.5636251507260627
Energy: 0.7110536803421278
Energy: 0.5636251507237066
Energy: 0.5279842310893111
Energy: 0.5414657386640324
Energy: 0.5635127301211504
Energy: 0.5414657386648176
Energy: 0.5426465631690558
Energy: 0.5513404120054911
Energy: 0.9910925005615177
Energy: 0.5513404120047057
Energy: 0.5281785101561393
Energy: 0.5639608103434316
Energy: 0.8610551670490929
Energy: 0.5639608103442171
Energy: 0.5452831748236796
Energy: 0.5658355082574865
Energy: 0.9906077349077961
Energy: 0.5658355082574865
Energy: 0.7330906114159852
Energy: 0.6185158987615739
Energy: 0.5636986320813118
Energy: 0.6185158987607885
Energy: 0.5423836304850869
Energy: 0.5516145604871919
Energy: 0.861563071047249
Energy: 0.5516145604871919
Energy: 0.7363375030678344
Energy: 0.5652149509613621
Energy: 0.5406401415993585
Energy: 0.5652149509621474
Energy: 0.5449596272267494
Energy: 0.5631027831189637
Energy: 0.7812804916610625
Energy: 0.5631027831173928
Energy: 0.7263040325890501
Energy: 0.6180922228497169
Energy: 0.5432009381746896
Energy: 0.6180922228512875
Energy: 0.5424193758433722
Energy: 0.5631663576699174
Energy: 0.5369128477852051
Energy: 0.5631663576691321
Energy: 0.7337395777765012
Energy: 0.5646591734823608
Energy: 0.5479123887306266
Energy: 0.5646591734831462
Energy: 0.5652439218123353
Energy: 0.5633515785083736
Energy: 0.5382711153962076
Energy: 0.5633515785075882
Energy: 0.9888539672243108
Energy: 0.5806857435684383
Energy: 0.5432432394561931
Energy: 0.5806857435660823
Energy: 0.8617368313797077
Energy: 0.563058086800852
Energy: 0.5373664309757115
Energy: 0.5630580868016374
Energy: 0.8753640355927734
Energy: 0.5639778001034633
Energy: 0.5479935402327438
Energy: 0.56397780010739
Energy: 0.565477384654322
Energy: 0.6187541579395094
Energy: 0.5278878495691794
Energy: 0.6187541579395094
Energy: 0.8591436431724211
Energy: 0.5773447833546357
Energy: 0.543216800971457
Energy: 0.5773447833562064
Energy: 0.5424569561010771
Energy: 0.5634439351205245
Energy: 0.7334911045725121
Energy: 0.5634439351236658
Energy: 0.5494183981173886
Energy: 0.563468148332557
Energy: 0.5476790224104444
Energy: 0.563468148332557
Energy: 0.5451350312837725
Energy: 0.6190426435103071
Energy: 0.7233133172129564
Energy: 0.6190426435071659
Energy: 0.5380763133587849
Energy: 0.5950352930059137
Energy: 0.5454187182540207
Energy: 0.5950352930051286
Energy: 0.5466921115536932
Energy: 0.5633061331024097
Energy: 0.7294130535258068
Energy: 0.5633061331024097
Energy: 0.5444229917264725
Energy: 0.5634835906304163
Energy: 0.5684370449116897
Energy: 0.563483590629631

minimum gb energy = 0.5278878495691794 eV
minimum distance =  2.3285054803939 Angstroms
sigma value = 15


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

Energy: 0.7746270974782774
Energy: 0.5091613453795542
Energy: 0.7401547310386886
Energy: 0.5091613453788888
Energy: 0.893802191729858
Energy: 0.5061348292696141
Energy: 0.5072634487988835
Energy: 0.5061348292676181
Energy: 0.5255249306063821
Energy: 0.5056247466666964
Energy: 0.9859898386094179
Energy: 0.5056247466673617
Energy: 0.7778732352409381
Energy: 0.5074051393432376
Energy: 0.5071315444838717
Energy: 0.5074051393379153
Energy: 0.5051442623381662
Energy: 0.6959766482031569
Energy: 0.49650935244358474
Energy: 0.6959766482051527
Energy: 0.7735647878261465
Energy: 0.5069015564181478
Energy: 0.5070590173563709
Energy: 0.5069015564188131
Energy: 0.506697527375517
Energy: 0.5169199594305922
Energy: 0.5010926610509311
Energy: 0.5169199594239393
Energy: 0.6355438531008484
Energy: 0.5156334422594037
Energy: 0.5071689039964583
Energy: 0.5156334422547466
Energy: 0.508654513277941
Energy: 0.5169644494577725
Energy: 0.639238356474232
Energy: 0.516964449459103
Energy: 0.4980049796997996
Energy: 0.506222115488707
Energy: 0.5055918592360482
Energy: 0.5062221154608252
Energy: 0.5067822835825128
Energy: 0.506789393786052
Energy: 0.777866034944775
Energy: 0.5067893937853868
Energy: 0.5031708194496228
Energy: 0.5058853934989062
Energy: 0.5263980671805301
Energy: 0.5058853934995714
Energy: 0.5083296469018611
Energy: 0.5170536409463478
Energy: 0.9940914858761998
Energy: 0.5170536409456825
Energy: 0.492893866530572
Energy: 0.5088680889264184
Energy: 0.7754391348190763
Energy: 0.5088680889237573
Energy: 0.5067420840774055
Energy: 0.506414921257886
Energy: 0.9984237818764866
Energy: 0.5064149212545597
Energy: 0.6530920882428541
Energy: 0.5056630532393467
Energy: 0.5260243561745895
Energy: 0.5056630532366854
Energy: 0.5080850696715682
Energy: 0.5161033457540912
Energy: 0.8836207798927534
Energy: 0.5161033457481037
Energy: 0.6572485218094463
Energy: 0.5601399106331042
Energy: 0.5054435634679814
Energy: 0.5601399106390917
Energy: 0.5065985821347588
Energy: 0.5054297825702634
Energy: 0.7707661374556547
Energy: 0.5054297825829038
Energy: 0.6586341542754874
Energy: 0.5062814457493022
Energy: 0.5070896220352636
Energy: 0.5062814457473065
Energy: 0.5081854515687508
Energy: 0.5258614396823552
Energy: 0.6345166226407133
Energy: 0.5258614396816899
Energy: 0.6638508556095664
Energy: 0.516286200538535
Energy: 0.5100929657718043
Energy: 0.5162862005298862
Energy: 0.506705172028915
Energy: 0.5057403323618644
Energy: 0.4947863697266916
Energy: 0.5057403323618644
Energy: 0.9195185341670727
Energy: 0.506726329813099
Energy: 0.5073125119884357
Energy: 0.506726329813099
Energy: 0.5272667494819872
Energy: 0.5257654663578099
Energy: 0.49176755651915477
Energy: 0.5257654663558139
Energy: 0.8948388402724035
Energy: 0.5153428420078303
Energy: 0.5099763114196301
Energy: 0.5153428420064998
Energy: 0.7760791216274242
Energy: 0.5056562166267811
Energy: 0.49493718451251406
Energy: 0.5056562166227893
Energy: 0.9950223451253207
Energy: 0.507528240888944
Energy: 0.5072388017191576
Energy: 0.5075282409082374
Energy: 0.5271363126926656
Energy: 0.5776511986518507
Energy: 0.4984355472287122
Energy: 0.5776511986511854
Energy: 0.782160150026013
Energy: 0.5157640507014599
Energy: 0.5102228074754299
Energy: 0.5157640506914805
Energy: 0.5068504027484788
Energy: 0.55220962511813
Energy: 0.6628973715769998
Energy: 0.5522096251194605
Energy: 0.7723676019109172
Energy: 0.5051342896877781
Energy: 0.5071968241322159
Energy: 0.5051342896997534
Energy: 0.5083705786572379
Energy: 0.5759632918590308
Energy: 0.6551402468431058
Energy: 0.5759632918590308
Energy: 0.5043619181513485
Energy: 0.5257701003701831
Energy: 0.5102456825426748
Energy: 0.5257701003814932
Energy: 0.5021023025411717
Energy: 0.5577616811546121
Energy: 0.660327397365093
Energy: 0.5577616811539469
Energy: 0.49644193374638407
Energy: 0.5053001475634168
Energy: 0.5089251867403544
Energy: 0.5053001475654126
Energy: 0.5084203343607595
Energy: 0.5765049141018732
Energy: 0.9165892495606034
Energy: 0.5765049140992121

minimum gb energy = 0.49176755651915477 eV
minimum distance =  2.3308991698908 Angstroms
sigma value = 85


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

Energy: 0.7207790910617661
Energy: 0.491812993843636
Energy: 0.5893048818358091
Energy: 0.491812993843636
Energy: 0.9019235254326927
Energy: 0.48928791312861647
Energy: 0.4625139161500917
Energy: 0.4892879131268854
Energy: 0.6944646884992941
Energy: 0.48871514844808317
Energy: 0.42827935222239677
Energy: 0.48871514844866026
Energy: 0.8016665499428917
Energy: 0.4889869831205826
Energy: 0.4626399870765907
Energy: 0.4889869831205826
Energy: 0.4885877462199064
Energy: 0.461198330914057
Energy: 0.43138674844874364
Energy: 0.46119833091347995
Energy: 0.7012213541152885
Energy: 0.4894697580514147
Energy: 0.46266489436471925
Energy: 0.48946975805372267
Energy: 0.4604820074104015
Energy: 0.5044420012828131
Energy: 0.4566013432170508
Energy: 0.5044420012839672
Energy: 0.663494053996982
Energy: 0.4885230830067691
Energy: 0.4627018597669364
Energy: 0.48852308300734615
Energy: 0.46205733138304617
Energy: 0.4750260781429016
Energy: 0.5790985657609976
Energy: 0.4750260781440556
Energy: 0.5479960849241806
Energy: 0.5039272482707075
Energy: 0.46106976313532694
Energy: 0.5039272482695535
Energy: 0.4630512127522218
Energy: 0.48915316244911455
Energy: 0.7012380849527456
Energy: 0.4891531624473836
Energy: 0.4296761800401948
Energy: 0.48858599834481353
Energy: 0.48866322490701497
Energy: 0.4885859983453905
Energy: 0.46224314418765516
Energy: 0.4739655569337758
Energy: 0.8013493249171559
Energy: 0.4739655569337758
Energy: 0.4287082709680464
Energy: 0.48905817688060127
Energy: 0.6946877252027804
Energy: 0.48905817688117825
Energy: 0.4634382925314517
Energy: 0.4889194577465794
Energy: 0.9790636018780778
Energy: 0.48891945774487455
Energy: 0.42976338032602357
Energy: 0.49172107453661656
Energy: 0.721267009610429
Energy: 0.4917210745360395
Energy: 0.46236330326311414
Energy: 0.4739238133238901
Energy: 0.9788770875147855
Energy: 0.4739238133244671
Energy: 0.5699282321060825
Energy: 0.48902020629838566
Energy: 0.6946868651923904
Energy: 0.4890202062978087
Energy: 0.4636813947726228
Energy: 0.48902295498459003
Energy: 0.879277451569625
Energy: 0.489022954981705
Energy: 0.5731038263081358
Energy: 0.49176711057142314
Energy: 0.488717301762965
Energy: 0.49176711057257716
Energy: 0.46226666969544983
Energy: 0.47391250070100993
Energy: 0.7761969536764863
Energy: 0.47391250070216395
Energy: 0.5722581630811316
Energy: 0.4890486467242483
Energy: 0.46109407171218686
Energy: 0.4890486467242483
Energy: 0.4637700378997865
Energy: 0.48843017974201125
Energy: 0.6645770810464051
Energy: 0.4884301797425883
Energy: 0.5823706626863611
Energy: 0.5057670063403679
Energy: 0.46259714542002506
Energy: 0.5057670063386368
Energy: 0.46261595850125503
Energy: 0.48834492165073734
Energy: 0.5481993289039498
Energy: 0.4883449216513144
Energy: 0.811009128236214
Energy: 0.48905035506573385
Energy: 0.4643883719672774
Energy: 0.4890503550663109
Energy: 0.48983970801305643
Energy: 0.48819213758104174
Energy: 0.4281423295500026
Energy: 0.48819213757931074
Energy: 0.8219483800238293
Energy: 0.5059302094047194
Energy: 0.46281662175028176
Energy: 0.5059302094029884
Energy: 0.695670624199737
Energy: 0.48936308870252004
Energy: 0.4319737153755197
Energy: 0.48936308870252004
Energy: 0.9790825365869693
Energy: 0.48907610916579447
Energy: 0.4641317532537183
Energy: 0.48907610916579447
Energy: 0.7222847923904439
Energy: 0.4884439652696685
Energy: 0.43041638595525733
Energy: 0.4884439652708225
Energy: 0.8956431453535575
Energy: 0.5039618273210498
Energy: 0.46275047055961444
Energy: 0.5039618272973924
Energy: 0.6957758735911894
Energy: 0.48952220952909464
Energy: 0.4308305359449574
Energy: 0.4895222095325567
Energy: 0.8790814366974578
Energy: 0.4891163830184347
Energy: 0.46456953091932907
Energy: 0.4891163830190117
Energy: 0.4898732974321005
Energy: 0.4883886121632681
Energy: 0.5745942900588137
Energy: 0.4883886121626911
Energy: 0.67510476327326
Energy: 0.5039528123561974
Energy: 0.46253919470126176
Energy: 0.5039528123556204
Energy: 0.4627252627352095
Energy: 0.4892838273287966
Energy: 0.5721647929695349
Energy: 0.4892838273282196
Energy: 0.6635562366148686
Energy: 0.48838950734123737
Energy: 0.46442261594013506
Energy: 0.48838950731469494
Energy: 0.46363579370569435
Energy: 0.4884383199834683
Energy: 0.5823072992275908
Energy: 0.48843831998519943
Energy: 0.4404532163962812
Energy: 0.5197532043746054
Energy: 0.46405259201782084
Energy: 0.5197532043746054
Energy: 0.4654820874611171
Energy: 0.4891584126540433
Energy: 0.811179263871675
Energy: 0.4891584126511582
Energy: 0.4281770523517142
Energy: 0.4884183905153868
Energy: 0.4917186357566298
Energy: 0.48841839051480984
Energy: 0.4637383013389229
Energy: 0.4885319292750422
Energy: 0.8217266123089071
Energy: 0.4885319292796583

minimum gb energy = 0.4281423295500026 eV
minimum distance =  2.34630884231931 Angstroms
sigma value = 113


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

Energy: 0.015420733163004866
Energy: 0.016005228681026724
Energy: 0.5853701317356915
Energy: 0.016005228682308168
Energy: 0.5857278281023122
Energy: 0.20779551102696595
Energy: 0.2078719449922554
Energy: 0.20779551102654703
Energy: 0.015420733163004866
Energy: 0.016005228681026724
Energy: 0.5853711646943414
Energy: 0.016005228682308168
Energy: 0.5857278281027557
Energy: 0.20779551102654703
Energy: 0.20787194524068242
Energy: 0.20779551102654703
Energy: 0.015420733163004866
Energy: 0.016005228681445657
Energy: 0.5853710371124394
Energy: 0.016005228681889232
Energy: 0.5857278281027557
Energy: 0.20779551102654703
Energy: 0.20787194506943757
Energy: 0.20779551102654703

minimum gb energy = 0.015420733163004866 eV
minimum distance =  2.54100643479153 Angstroms
sigma value = 1