Model name: model_name=Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.619543239474297
cohesive_energy=3.471712825662978
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: -0.015760110312931994
Energy: -0.014367928837174075
Energy: 0.241130668176304
Energy: -0.014367928835957547
Energy: -0.014367928837174075
Energy: 0.8126523301750235
Energy: -0.014367928837174075
Energy: 0.8126523301750235
Energy: 0.24113066817508744
Energy: -0.014367928836583188
Energy: -0.015760110312931994
Energy: -0.014367928837799717
Energy: -0.014367928835957547
Energy: 0.8126523301756146
Energy: -0.014367928837174075
Energy: 0.8126523301756146

minimum gb energy = -0.015760110312931994 eV
minimum distance =  2.44998319917331 Angstroms
sigma value = 1


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

Energy: 0.8570309926520449
Energy: 0.9465372622586159
Energy: 0.8168062894470669
Energy: 0.9465372622593746
Energy: 0.8451250224914144
Energy: 0.8949538011572976
Energy: 0.8439417853868716
Energy: 0.8949538011588151
Energy: 0.7676300899151879
Energy: 0.9329829739217281
Energy: 0.8402795354460787
Energy: 0.9329829739217281
Energy: 0.8205833619743452
Energy: 0.9536646759490763
Energy: 0.8047486280045003
Energy: 0.9536646759483176
Energy: 0.843354270721332
Energy: 0.9494896932313228
Energy: 0.8345641416529316
Energy: 0.9494896932335992
Energy: 0.7916633116722686
Energy: 1.0623035992909677
Energy: 0.7406239977998194
Energy: 1.0623035992917265
Energy: 0.8511424543910399
Energy: 0.9446487086063905
Energy: 0.7942369607395121
Energy: 0.9446487086056319
Energy: 0.7241392643072994
Energy: 0.9512741438705077
Energy: 0.7297305018768808
Energy: 0.951274143869749
Energy: 0.8045276822505478
Energy: 1.1412479739259944
Energy: 0.835177972223979
Energy: 1.1412479739252357
Energy: 0.7412429630474644
Energy: 0.9319413882081126
Energy: 0.7098648125123797
Energy: 0.9319413882073538
Energy: 0.8261912592562017
Energy: 0.8925075410646219
Energy: 0.8045354681742966
Energy: 0.8925075410668983
Energy: 0.8092835195733301
Energy: 0.9511887982256256
Energy: 0.7586838742988299
Energy: 0.9511887982256256
Energy: 0.8401723532398033
Energy: 0.9460717177929618
Energy: 0.8507662147317766
Energy: 0.9460717177929618
Energy: 0.8453824588854248
Energy: 0.9346316733950489
Energy: 0.7906780034209043
Energy: 0.9346316733935313
Energy: 0.83435040686392
Energy: 0.9461201869419307
Energy: 0.8487092334179783
Energy: 0.9461201869449657
Energy: 0.8322696042846408
Energy: 0.947584997179106
Energy: 0.8447605875986768
Energy: 0.947584997179106
Energy: 0.8402319995803674
Energy: 0.9329146354879977
Energy: 0.730000024315431
Energy: 0.9329146354872389
Energy: 0.8440538755883802
Energy: 0.9003517241954518
Energy: 0.8457930522381839
Energy: 0.9003517241969693
Energy: 0.790464322399759
Energy: 0.9505584424446742
Energy: 0.7577914824998299
Energy: 0.9505584424439154
Energy: 0.8478395720814151
Energy: 1.139168593314912
Energy: 0.8048726871466966
Energy: 1.1391685933111184
Energy: 0.744550669124545
Energy: 0.9329596170006489
Energy: 0.7248918155036611
Energy: 0.9329596170014077
Energy: 0.8032327460060977
Energy: 0.8554455170512544
Energy: 0.8246497705095832
Energy: 0.8554455170527718
Energy: 0.8354153865147093
Energy: 0.9493806279979901
Energy: 0.7836640598321317
Energy: 0.9493806280002662
Energy: 0.7893729543608874
Energy: 0.9314282537487416
Energy: 0.7915661490713298
Energy: 0.9314282537487416
Energy: 0.7945423544231752
Energy: 0.8994631728682454
Energy: 0.8506251029726181
Energy: 0.8994631728690042
Energy: 0.822307092718963
Energy: 0.9507344920968813
Energy: 0.772633986076968
Energy: 0.9507344920961226
Energy: 0.8323125750264663
Energy: 1.082895137276308
Energy: 0.8041860010851593
Energy: 1.082895137276308
Energy: 0.7609359062496137
Energy: 0.9300126247660951
Energy: 0.8372840863012346
Energy: 0.9300126247653363
Energy: 0.845881732636128
Energy: 0.9025566792324886
Energy: 0.8276671876855966
Energy: 0.902556679230971
Energy: 0.8581840323065678
Energy: 0.9477408488828899
Energy: 0.8119341292726103
Energy: 0.9477408488828899
Energy: 0.8607797306472404
Energy: 0.9558725592714113
Energy: 0.8404105702646445
Energy: 0.9558725592698937
Energy: 0.7886847412510755
Energy: 0.9296239838086772
Energy: 0.836307053424743
Energy: 0.9296239838086772
Energy: 0.8273340665065423
Energy: 0.9543406772414843
Energy: 0.8041053072058276
Energy: 0.954340677239208

minimum gb energy = 0.7098648125123797 eV
minimum distance =  2.22200759510824 Angstroms
sigma value = 1


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

Energy: 0.9239447728980634
Energy: 1.0256892995880758
Energy: 0.8318582932626828
Energy: 1.0256892995880758
Energy: 0.8570454768720296
Energy: 0.9704517508610385
Energy: 0.8941487308184931
Energy: 0.9704517508601734
Energy: 0.8192625314983973
Energy: 1.0277866738298664
Energy: 0.8864936006571262
Energy: 1.0277866738315968
Energy: 0.8013554878160638
Energy: 0.8680518873181624
Energy: 0.8379225657489098
Energy: 0.8680518873172974
Energy: 0.801264198257061
Energy: 1.003874509329366
Energy: 0.8409477108978085
Energy: 1.003874509330231
Energy: 0.8896503007867649
Energy: 1.0036782281037822
Energy: 0.786546976810209
Energy: 1.0036782281020518
Energy: 0.8557413389076058
Energy: 0.8686979786171299
Energy: 0.8583694617908998
Energy: 0.8686979786153997
Energy: 0.7586068305493779
Energy: 1.0287681936486355
Energy: 0.7814469167568976
Energy: 1.0287681936477706
Energy: 0.8189709806784974
Energy: 1.3947456829709466
Energy: 0.8961347004351425
Energy: 1.3947456829700815
Energy: 0.8015727542873557
Energy: 1.0287899259271471
Energy: 0.8523292781059301
Energy: 1.0287899259280122
Energy: 0.8553678746136089
Energy: 0.9611674975934988
Energy: 0.89446508140064
Energy: 0.9611674975934988
Energy: 0.7874290423640907
Energy: 1.0149490924620717
Energy: 0.9110831932828511
Energy: 1.0149490924612066
Energy: 0.928642713629569
Energy: 1.0002986992439922
Energy: 0.8457106528425595
Energy: 1.000298699243127
Energy: 0.9286950956730493
Energy: 1.0003533061545786
Energy: 0.8722593732297377
Energy: 1.0003533061545786
Energy: 0.787648155867159
Energy: 1.0149561698061411
Energy: 0.8864737824160862
Energy: 1.0149561698061411
Energy: 0.8556186939973067
Energy: 0.9609341782144459
Energy: 0.858401509868083
Energy: 0.9609341782153112
Energy: 0.8015717278722941
Energy: 1.0289611340847051
Energy: 0.8524484748183242
Energy: 1.0289611340864355
Energy: 0.8189506336554144
Energy: 1.394756382210286
Energy: 0.8961059395972316
Energy: 1.3947563822085556
Energy: 0.7586720432798765
Energy: 1.028587148503409
Energy: 0.7884200967493329
Energy: 1.0285871485051394
Energy: 0.8556748011062917
Energy: 0.8664318945705337
Energy: 0.8379628334491649
Energy: 0.8664318945731292
Energy: 0.8896362024446154
Energy: 1.0038579908983771
Energy: 0.8188791359392134
Energy: 1.0038579908975118
Energy: 0.8012645370672972
Energy: 1.003894728555055
Energy: 0.8405056313507205
Energy: 1.00389472855419
Energy: 0.8012196294161915
Energy: 0.8679966231518828
Energy: 0.8579465852209027
Energy: 0.8679966231527477
Energy: 0.8193113943811315
Energy: 1.0278108001519126
Energy: 0.8637790242372326
Energy: 1.0278108001510475
Energy: 0.8570071386164732
Energy: 0.9704477311876472
Energy: 0.8940823491566806
Energy: 0.9704477311876472
Energy: 0.9239447728997937
Energy: 1.0256892995872107
Energy: 0.9262504718051228
Energy: 1.0256892995880758
Energy: 0.8570454768737598
Energy: 0.9704517508610385
Energy: 0.8941487308176281
Energy: 0.9704517508610385
Energy: 0.8192625314983973
Energy: 1.0277866738307317
Energy: 0.9111380410893429
Energy: 1.027786673832462
Energy: 0.8013554878186593
Energy: 0.8680518873129717
Energy: 0.837922565749775
Energy: 0.8680518873164321

minimum gb energy = 0.7586068305493779 eV
minimum distance =  2.1242982607277 Angstroms
sigma value = 25


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

Energy: 0.9060558991445185
Energy: 1.0891671806163654
Energy: 0.9717982137960441
Energy: 1.0891671806153598
Energy: 0.8680020552213908
Energy: 0.9567403844987501
Energy: 0.8709944559887474
Energy: 0.9567403844987501
Energy: 0.885383677306441
Energy: 1.1271761692263478
Energy: 0.870788696245898
Energy: 1.1271761692273534
Energy: 0.8541978741503822
Energy: 0.8995444271896096
Energy: 0.8669043358956224
Energy: 0.8995444271896096
Energy: 0.8673742375753981
Energy: 1.0709249448530078
Energy: 0.8467881982718524
Energy: 1.0709249448530078
Energy: 0.9719065424927708
Energy: 1.1258522684435015
Energy: 0.8685394268906159
Energy: 1.1258522684435015
Energy: 0.9362134486165493
Energy: 0.8784911953956951
Energy: 0.9061206733009973
Energy: 0.878491195396701
Energy: 1.0460418715934192
Energy: 1.0936413947732422
Energy: 0.8393989471418438
Energy: 1.0936413947732422
Energy: 0.9060209830832454
Energy: 1.0682696469175914
Energy: 0.93653896883685
Energy: 1.0682696469175914
Energy: 0.8742517843872586
Energy: 1.101926762284179
Energy: 0.8492792701603641
Energy: 1.1019267622831732
Energy: 0.849458162611287
Energy: 1.0719550494357053
Energy: 0.8712118748419515
Energy: 1.0719550494346997
Energy: 0.9098802581088686
Energy: 1.087944968062668
Energy: 0.9832284769662527
Energy: 1.087944968062668
Energy: 0.8708222617684992
Energy: 1.009782929297462
Energy: 0.8477554272892313
Energy: 1.0097829292934624
Energy: 0.9027038586475153
Energy: 1.0687974491778989
Energy: 0.8686697821125469
Energy: 1.0687974491789045
Energy: 0.9183751832703092
Energy: 1.0947483545170327
Energy: 0.837476105191255
Energy: 1.0947483545150214
Energy: 0.9332235427774804
Energy: 1.5343190293684732
Energy: 0.8685952998688563
Energy: 1.5343190293684732
Energy: 0.810688324896491
Energy: 1.127583700556269
Energy: 0.8105650913409257
Energy: 1.127583700556269
Energy: 0.8670340995928767
Energy: 1.0705905754388265
Energy: 0.8476431289760982
Energy: 1.0705905754388265
Energy: 0.8542948914749018
Energy: 0.9643138783408437
Energy: 0.8674515432802925
Energy: 0.9643138783378266
Energy: 0.8684644414231234
Energy: 1.1256982217374276
Energy: 0.8708100639018779
Energy: 1.1256982217384333
Energy: 0.9030338792499547
Energy: 0.9967539730146955
Energy: 0.8709953988212364
Energy: 0.9967539730146955
Energy: 0.9077411301442067
Energy: 1.089885938613691
Energy: 0.9619349459656157
Energy: 1.089885938613691
Energy: 0.9344913199990784
Energy: 1.0161528239002544
Energy: 0.8709971781571813
Energy: 1.01615282390126
Energy: 0.8844509333985003
Energy: 1.1269179522762427
Energy: 0.874261798310912
Energy: 1.1269179522752368
Energy: 0.8715866007086853
Energy: 0.900466026328988
Energy: 0.8705612076597093
Energy: 0.9004660263269766

minimum gb energy = 0.8105650913409257 eV
minimum distance =  2.16658331008722 Angstroms
sigma value = 9


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

Energy: 0.9652423835993607
Energy: 0.9620973811134237
Energy: 1.0161517231612562
Energy: 0.9620973811110243
Energy: 0.9649491756593706
Energy: 1.054725992949229
Energy: 0.9404505405496252
Energy: 1.0547259929504285
Energy: 0.8688821900226371
Energy: 0.9733894114957222
Energy: 0.9394690437077589
Energy: 0.9733894114969218
Energy: 0.9947114831095513
Energy: 0.9622393335724762
Energy: 0.9054605334101449
Energy: 0.9622393335736757
Energy: 1.097771335451742
Energy: 1.0314876420792471
Energy: 0.9825894261396
Energy: 1.031487642080447
Energy: 0.8582308151983029
Energy: 0.9726886674526783
Energy: 0.9057997250952957
Energy: 0.9726886674526783
Energy: 1.0074860137793624
Energy: 0.9057567139026383
Energy: 0.9081189696080528
Energy: 0.9057567139038379
Energy: 0.9669855634820012
Energy: 0.9727359245233941
Energy: 0.8992207056109244
Energy: 0.9727359245221944
Energy: 1.0085369167285154
Energy: 1.0556215723575182
Energy: 0.9819408505572877
Energy: 1.0556215723575182
Energy: 0.9619852653419834
Energy: 0.9635915606131108
Energy: 0.9051383005952751
Energy: 0.9635915606131108
Energy: 0.9348252319234549
Energy: 1.0309325785253407
Energy: 0.9394852977183967
Energy: 1.0309325785253407
Energy: 0.9948383736050703
Energy: 1.030400358917278
Energy: 0.9052284640844418
Energy: 1.030400358918478
Energy: 0.8590434841824628
Energy: 0.9728693799745549
Energy: 0.8929331347711609
Energy: 0.9728693799745549
Energy: 0.9719531597655833
Energy: 1.5818106604664224
Energy: 0.9784353218353924
Energy: 1.5818106604676219
Energy: 0.859011024476481
Energy: 0.9729078371746503
Energy: 0.9246044807733373
Energy: 0.9729078371722509
Energy: 0.9947013171305088
Energy: 1.0303159743978876
Energy: 0.9052181807361217
Energy: 1.0303159744002872
Energy: 0.9348369722798036
Energy: 1.0305845467488421
Energy: 0.9305736917237274
Energy: 1.0305845467476424
Energy: 0.9619675475862882
Energy: 0.9638958378014519
Energy: 0.9051736089580046
Energy: 0.9638958378002522
Energy: 1.0085645462726802
Energy: 1.0555950548067308
Energy: 0.9300348409727434
Energy: 1.0555950548067308
Energy: 0.9669591678502392
Energy: 0.972752984146992
Energy: 0.8992250255028823
Energy: 0.9727529841481917
Energy: 1.007347883051048
Energy: 0.905785833360538
Energy: 0.9080165236470337
Energy: 0.905785833360538

minimum gb energy = 0.8582308151983029 eV
minimum distance =  2.28256359807233 Angstroms
sigma value = 25


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

Energy: 0.9392182597480709
Energy: 1.215217750051824
Energy: 1.0058226782131465
Energy: 1.21521775005034
Energy: 0.9113202111381733
Energy: 0.9713907087264717
Energy: 0.8868092461005879
Energy: 0.9713907087264717
Energy: 0.8885508248373989
Energy: 0.996716256859769
Energy: 0.8863341827107718
Energy: 0.9967162568582854
Energy: 0.9351411831972417
Energy: 0.9600676512601861
Energy: 1.0672083506270942
Energy: 0.9600676512587023
Energy: 1.0668639296609246
Energy: 0.9099859524901215
Energy: 0.9717239015838424
Energy: 0.9099859524901215
Energy: 0.8864630394309515
Energy: 1.172569380460372
Energy: 0.8890502190730688
Energy: 1.1725693804618555
Energy: 0.887926409847335
Energy: 1.0334645777893066
Energy: 0.8866448333365122
Energy: 1.0334645777893066
Energy: 0.9014152348775766
Energy: 1.2157969372181527
Energy: 0.9340155108376418
Energy: 1.2157969372196362
Energy: 0.8865162291863569
Energy: 0.9711710939368606
Energy: 0.9108540666631018
Energy: 0.9711710939383443
Energy: 1.1217727347326436
Energy: 1.0717812145783154
Energy: 0.8880405567299812
Energy: 1.071781214575348
Energy: 0.8812332037812265
Energy: 0.9598246683826746
Energy: 1.2305007939389445
Energy: 0.959824668385642
Energy: 0.8865823853287954
Energy: 1.414755552750574
Energy: 1.121353766158523
Energy: 1.4147555527520579
Energy: 1.0198001202612637
Energy: 0.9969698343222596
Energy: 0.8880610111960452
Energy: 0.9969698343237433
Energy: 0.8863181629281053
Energy: 0.8864623363852538
Energy: 0.9346517384902373
Energy: 0.8864623363852538
Energy: 1.0349770841415278
Energy: 0.8894653461927072
Energy: 1.0531214607938209
Energy: 0.8894653461927072
Energy: 0.9085802288692024
Energy: 0.9960585556503752
Energy: 0.8866564446186345
Energy: 0.9960585556488913
Energy: 0.8867054924640885
Energy: 0.989190489793474
Energy: 1.1206602577336173
Energy: 0.989190489793474

minimum gb energy = 0.8812332037812265 eV
minimum distance =  2.25391390660244 Angstroms
sigma value = 17


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

Energy: 0.9971442216394727
Energy: 0.9925459131073093
Energy: 1.1847219187891584
Energy: 0.9925459131064692
Energy: 1.0390035147102499
Energy: 0.9766793168722953
Energy: 0.9036575602743492
Energy: 0.9766793168756563
Energy: 1.0989100120723063
Energy: 1.0676935699569419
Energy: 0.9029557195864681
Energy: 1.0676935699552612
Energy: 0.9063839986108161
Energy: 1.085932921089685
Energy: 0.9962544328625924
Energy: 1.0859329210913657
Energy: 1.1042115946989797
Energy: 1.213816366477106
Energy: 0.9492092327896052
Energy: 1.213816366477106
Energy: 0.930420493270295
Energy: 1.0042024577063875
Energy: 1.028879890993622
Energy: 1.004202457705547
Energy: 0.9087393446338202
Energy: 1.0167973772022523
Energy: 0.9028156133132206
Energy: 1.0167973772022523
Energy: 1.0240994581975478
Energy: 0.9643792879416686
Energy: 0.9242460617731768
Energy: 0.9643792879433493
Energy: 0.9258810128035089
Energy: 1.0125574579281327
Energy: 1.0956814510588135
Energy: 1.012557457923091
Energy: 1.1721259897216931
Energy: 0.9882534391814131
Energy: 0.903285503997769
Energy: 0.9882534391814131
Energy: 0.9097583747596841
Energy: 1.1560310842716697
Energy: 1.0628062233225954
Energy: 1.1560310842716697
Energy: 0.9246598429399283
Energy: 1.0159725132020694
Energy: 0.9243364503823805
Energy: 1.0159725132020694
Energy: 1.0288011894453728
Energy: 0.9935930576311275
Energy: 1.0008154963280784
Energy: 0.9935930576311275
Energy: 0.9035648498224486
Energy: 1.1863582568035114
Energy: 1.0753379863920698
Energy: 1.1863582568043516
Energy: 1.038064604952496
Energy: 1.0141605061514316
Energy: 0.926211914435762
Energy: 1.0141605061522718
Energy: 1.0646015470921384
Energy: 1.1293706833940176
Energy: 1.0241831386289038
Energy: 1.1293706833965385
Energy: 0.9032579036233324
Energy: 1.044387517490716
Energy: 1.0489710215647756
Energy: 1.0443875174890354
Energy: 1.0427573122599165
Energy: 0.9775454521968201
Energy: 0.9304261847920275
Energy: 0.9775454521976603
Energy: 0.9908064249742766
Energy: 1.0492543144490378
Energy: 1.026588904479993
Energy: 1.0492543144490378
Energy: 0.9031362951889425
Energy: 1.0870458361185784
Energy: 0.9069500513374466
Energy: 1.0870458361177382
Energy: 0.973339573161797
Energy: 1.1393500349508143
Energy: 1.1001037334888015
Energy: 1.139350034952495
Energy: 0.9043836167920016
Energy: 1.1098321618541929
Energy: 1.0863110752368024
Energy: 1.109832161855033
Energy: 1.0137467989931366
Energy: 1.1563183412614653
Energy: 0.9048159690089386
Energy: 1.1563183412614653
Energy: 0.9239117278436637
Energy: 1.0159587327083806
Energy: 1.0626252374942615
Energy: 1.0159587327092208
Energy: 1.0101137259053694
Energy: 1.0675059831315739
Energy: 1.063269577781957
Energy: 1.0675059831298934
Energy: 1.0753069987467265
Energy: 1.156172879151489
Energy: 0.9060098112649936
Energy: 1.1561728791506487
Energy: 0.9026356611190418
Energy: 1.1065736144814022
Energy: 1.2502213368624195
Energy: 1.1065736144814022
Energy: 1.0276109618165792
Energy: 1.0049789058333092
Energy: 1.0611617229844013
Energy: 1.0049789058316287
Energy: 1.1645354785678688
Energy: 1.0863676810903766
Energy: 0.9082591169379687
Energy: 1.0863676810895364
Energy: 0.924214321682233
Energy: 1.0474272846000905
Energy: 1.0285623496026401
Energy: 1.0474272846000905

minimum gb energy = 0.9026356611190418 eV
minimum distance =  2.13894874734718 Angstroms
sigma value = 53


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

Energy: 0.873609501970375
Energy: 0.8702599245963889
Energy: 1.2072787810982288
Energy: 0.8702599245963889
Energy: 1.0831240076060156
Energy: 0.9461793566052022
Energy: 0.9612473321638065
Energy: 0.9461793566032678
Energy: 0.8734021857320198
Energy: 1.1165221959945062
Energy: 1.0487520904552499
Energy: 1.1165221959925715
Energy: 0.8733643673404159
Energy: 1.116503507018084
Energy: 1.0468792570563803
Energy: 1.116503507018084
Energy: 1.1147070786989615
Energy: 0.9461417118595009
Energy: 1.062938636185229
Energy: 0.9461417118595009
Energy: 0.8736095019723095
Energy: 0.8702599245963889
Energy: 1.0428372811866096
Energy: 0.8702599245963889
Energy: 1.08312400760795
Energy: 0.9461793566032678
Energy: 0.9764056776220555
Energy: 0.9461793566032678
Energy: 0.8734021857339541
Energy: 1.1165221959945062
Energy: 1.048752090451381
Energy: 1.1165221959945062
Energy: 0.8733643673404159
Energy: 1.1165035070161498
Energy: 1.0468792570563803
Energy: 1.1165035070161498
Energy: 1.114707078697071
Energy: 0.9461417118595009
Energy: 1.0629386361832946
Energy: 0.9461417118595009
Energy: 0.8736095019723095
Energy: 0.8702599245944544
Energy: 1.1408668290461585
Energy: 0.8702599245963889
Energy: 1.0831240076060156
Energy: 0.9461793566032678
Energy: 1.0485386589614305
Energy: 0.9461793566032678
Energy: 0.8734021857339541
Energy: 1.1165221959945062
Energy: 1.0487520904533154
Energy: 1.1165221959945062

minimum gb energy = 0.8702599245944544 eV
minimum distance =  2.13114195553033 Angstroms
sigma value = 9


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

Energy: 0.9470978135897776
Energy: 1.0488049495014167
Energy: 1.2341073707981276
Energy: 1.0488049495021328
Energy: 1.099115313410322
Energy: 0.9981642096096922
Energy: 0.9196854121662491
Energy: 0.9981642096082602
Energy: 0.9455064785180554
Energy: 1.118064422714177
Energy: 0.9237526808040195
Energy: 1.118064422715609
Energy: 1.0664933288840868
Energy: 1.1062984786632113
Energy: 0.9197172026018823
Energy: 1.1062984786632113
Energy: 1.097770965274138
Energy: 0.9873027059293111
Energy: 0.9478028603275712
Energy: 0.9873027059314591
Energy: 0.924202281124801
Energy: 0.9212552950983495
Energy: 1.050145446879529
Energy: 0.9212552950983495
Energy: 1.2565795321038118
Energy: 0.9781653008613531
Energy: 0.9485982286151573
Energy: 0.978165300860637
Energy: 0.9608385904787958
Energy: 1.1099745486626043
Energy: 1.0629058259996333
Energy: 1.1099745486633203
Energy: 0.9450510915552859
Energy: 1.1252866061975273
Energy: 0.9294391039469304
Energy: 1.1252866061975273
Energy: 0.9449906601596685
Energy: 0.9911704264679814
Energy: 0.9606408663915712
Energy: 0.9911704264679814
Energy: 0.9595308808030241
Energy: 1.1053226772498366
Energy: 1.2515155896109629
Energy: 1.1053226772498366
Energy: 1.073517787433167
Energy: 1.1772914117342779
Energy: 0.9447198780051532
Energy: 1.1772914117306976
Energy: 0.9435278099422019
Energy: 0.9951608531047683
Energy: 1.1952162698042104
Energy: 0.9951608531054843
Energy: 1.067455597478366
Energy: 1.1528961998089453
Energy: 0.9503588295060078
Energy: 1.1528961998060814
Energy: 0.9605228916992298
Energy: 1.0642526825679026
Energy: 1.0769286735988264
Energy: 1.0642526825679026
Energy: 0.9440932296771092
Energy: 1.1241653955612143
Energy: 1.054353029833342
Energy: 1.1241653955597823
Energy: 1.0021998477498753
Energy: 1.064463904807201
Energy: 0.9603595647038795
Energy: 1.064463904806485
Energy: 0.959131606464075
Energy: 0.9783370201647552
Energy: 1.0939866602079453
Energy: 0.9783370201647552
Energy: 1.0504542067288092
Energy: 0.9946701069695294
Energy: 0.9267867213899111
Energy: 0.9946701069630856
Energy: 0.9452120727500747
Energy: 1.0151562623782926
Energy: 1.021161521319154
Energy: 1.0151562623790087
Energy: 1.0581943390087936
Energy: 1.105127926731034
Energy: 1.0680912141136882
Energy: 1.10512792672817
Energy: 1.0213386402595523
Energy: 1.05666672987647
Energy: 0.9443079786141262
Energy: 1.056666729878618
Energy: 0.9291910491003196
Energy: 1.0501099078529863
Energy: 0.9456232630825387
Energy: 1.0501099078544183
Energy: 1.2672983203307355
Energy: 1.1520967476430288
Energy: 0.9607851122398351
Energy: 1.1520967476430288
Energy: 0.94818456544301
Energy: 1.0878840359042354
Energy: 1.157787322571579
Energy: 1.0878840359049513
Energy: 0.9828291128957697
Energy: 0.920664579973167
Energy: 0.9438870612082859
Energy: 0.9206645799753149
Energy: 1.026749958276105
Energy: 1.0635828712083102
Energy: 1.0710205911818833
Energy: 1.0635828712075943
Energy: 0.939301472547553
Energy: 1.1066960574958784
Energy: 1.0680444150044708
Energy: 1.1066960574944462
Energy: 0.9837823672671362
Energy: 0.9216512465113652
Energy: 0.9447328051441024
Energy: 0.9216512465120812
Energy: 0.9195545222029331
Energy: 1.088404832649549
Energy: 1.1731232738452064
Energy: 1.088404832648833
Energy: 1.194823815269352
Energy: 1.1079398484301044
Energy: 0.9615543880525571
Energy: 1.1079398484315366
Energy: 0.919211581574501
Energy: 0.9798769043992633
Energy: 0.945880847919362
Energy: 0.9798769043992633
Energy: 0.9187529572268929
Energy: 1.0551583607417596
Energy: 0.9456680338513503
Energy: 1.0551583607424757
Energy: 1.0558906309869778
Energy: 1.1065924554103843
Energy: 1.0696156284186005
Energy: 1.1065924554089526
Energy: 0.9337853642628873
Energy: 1.1180128045898303
Energy: 1.2959657254509915
Energy: 1.118012804592694

minimum gb energy = 0.9187529572268929 eV
minimum distance =  2.15406884288721 Angstroms
sigma value = 73


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

Energy: 0.9702926261893938
Energy: 0.9657793698949854
Energy: 1.2712230458120548
Energy: 0.9657793698949854
Energy: 0.998636055510224
Energy: 1.124736331642756
Energy: 0.9643642556246178
Energy: 1.124736331642756
Energy: 1.014019801443733
Energy: 1.1594706819315501
Energy: 0.9632976853171854
Energy: 1.1594706819326859
Energy: 0.9932329199616162
Energy: 1.0714638743745561
Energy: 0.9645668144637762
Energy: 1.0714638743734202
Energy: 0.9395386806235566
Energy: 1.048627913480438
Energy: 0.9682360937259684
Energy: 1.048627913480438
Energy: 0.9642752167565665
Energy: 1.1591228486471383
Energy: 1.2542634996805353
Energy: 1.1591228486482485
Energy: 1.3207477904387117
Energy: 1.2240858955912697
Energy: 0.9641240085730167
Energy: 1.2240858955912697
Energy: 0.9387408849283333
Energy: 1.1583345298046577
Energy: 1.2892322988479072
Energy: 1.1583345298069296
Energy: 1.2154095470275372
Energy: 0.9669353309253045
Energy: 0.964607329203822
Energy: 0.9669353309241685
Energy: 0.9644692393292034
Energy: 1.032002222568937
Energy: 0.9640152377181261
Energy: 1.032002222568937
Energy: 0.9391606937586274
Energy: 1.1608388640041274
Energy: 1.2130687547158068
Energy: 1.1608388640052634
Energy: 1.0961186774301621
Energy: 1.0685383470144179
Energy: 0.9387554764236802
Energy: 1.0685383470132819
Energy: 0.9640721149935259
Energy: 1.0342791187754283
Energy: 1.0978334525698519
Energy: 1.0342791187731564
Energy: 1.2895653545215635
Energy: 1.0328832949789504
Energy: 0.9641332114760394
Energy: 1.0328832949778144
Energy: 0.9654108436735367
Energy: 1.206278534331672
Energy: 1.098190971442793
Energy: 1.206278534332808
Energy: 1.2583676454912651
Energy: 1.1611517770340665
Energy: 0.9387977929419998
Energy: 1.1611517770329307
Energy: 0.9637115073764844
Energy: 1.1587507192023174
Energy: 1.0137367969149589
Energy: 1.1587507192011814
Energy: 0.963970738805977
Energy: 0.9677818374319019
Energy: 1.0132383009869714
Energy: 0.9677818374319019
Energy: 0.9397763967245293
Energy: 1.1633565631326979
Energy: 0.9958650319635663
Energy: 1.1633565631326979
Energy: 0.9648141665180917
Energy: 1.2058704560848754
Energy: 1.4036170449703589
Energy: 1.2058704560848754
Energy: 1.294672079374137
Energy: 1.159328506302467
Energy: 1.014454662064098
Energy: 1.159328506301331
Energy: 0.9645519420060445
Energy: 1.0432088598039855
Energy: 1.0985350763323671
Energy: 1.0432088598039855

minimum gb energy = 0.9387408849283333 eV
minimum distance =  2.16310948675829 Angstroms
sigma value = 7


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

Energy: 0.9686614477620603
Energy: 0.9648452305654847
Energy: 1.286426557318387
Energy: 0.9648452305678945
Energy: 1.2230511426570896
Energy: 1.0536349551378696
Energy: 0.9775044771249013
Energy: 1.0536349551386728
Energy: 0.9661516784836587
Energy: 1.1149040185671106
Energy: 0.9553661210681501
Energy: 1.1149040185663073
Energy: 0.935182029588169
Energy: 1.0441496736055669
Energy: 0.9777033561617692
Energy: 1.0441496736071734
Energy: 0.9659575257202178
Energy: 1.0291195741135362
Energy: 0.9545934089132908
Energy: 1.0291195741119297
Energy: 0.9593874106592915
Energy: 0.9654620274912548
Energy: 1.1631399798539543
Energy: 0.9654620274936645
Energy: 1.0737178651615829
Energy: 1.2102886435226876
Energy: 0.9612452915696561
Energy: 1.2102886435234905
Energy: 0.959200387551183
Energy: 0.9643670129443443
Energy: 1.2184340780128209
Energy: 0.9643670129475573
Energy: 1.0800054881405203
Energy: 1.0361409470729033
Energy: 0.9785125057834785
Energy: 1.036140947075313
Energy: 0.9590827314335868
Energy: 1.0410236382903
Energy: 1.0535069547092182
Energy: 1.0410236382903
Energy: 0.9331659309082051
Energy: 1.1097615930360192
Energy: 0.9437803424574978
Energy: 1.1097615930376257
Energy: 0.962805654724439
Energy: 1.0298047069014977
Energy: 0.9433700334192705
Energy: 1.0298047069014977
Energy: 0.9632890223261803
Energy: 1.1106688609250133
Energy: 0.9796145482524223
Energy: 1.1106688609242101
Energy: 0.9551635474986199
Energy: 0.94452339855466
Energy: 0.9773482151581789
Energy: 0.94452339855466
Energy: 0.9563835977176737
Energy: 1.1679608159304729
Energy: 1.1103040698299942
Energy: 1.167960815931276
Energy: 1.2861668603603984
Energy: 0.9442778411102896
Energy: 0.9822070443434224
Energy: 0.9442778411102896
Energy: 0.9562529796150716
Energy: 1.0291136323136258
Energy: 1.0130198497601675
Energy: 1.0291136323152323
Energy: 0.9634166010976339
Energy: 1.1130949180282306
Energy: 0.9780216265122508
Energy: 1.1130949180274274
Energy: 0.9566476355272423
Energy: 1.109862385780167
Energy: 0.9797412276857246
Energy: 1.109862385780167
Energy: 0.9589109074815296
Energy: 1.0333050218423512
Energy: 0.9433842380406389
Energy: 1.0333050218399416
Energy: 0.9350071479686939
Energy: 1.1101749183113452
Energy: 0.9783963349625024
Energy: 1.1101749183121485
Energy: 0.9593448162374264
Energy: 1.1063260744843884
Energy: 1.0493717313567859
Energy: 1.106326074480372
Energy: 1.189183340773425
Energy: 1.0359729326755047
Energy: 0.9442241642745793
Energy: 1.0359729326747014
Energy: 0.9724389757124439
Energy: 0.9658806828634189
Energy: 1.1417908007055872
Energy: 0.9658806828642221
Energy: 0.9837248810488209
Energy: 1.0324721399053514
Energy: 0.9433108537354069
Energy: 1.0324721399037446
Energy: 0.9334957512706823
Energy: 1.1096703693085501
Energy: 0.9438734603704858
Energy: 1.1096703693101564
Energy: 0.9659978543228915
Energy: 1.0412760755228452
Energy: 1.0018373685582094
Energy: 1.0412760755252548
Energy: 0.9699265314266304
Energy: 1.0293537413181466
Energy: 0.9775344245116943
Energy: 1.0293537413173435
Energy: 0.9670067329449411
Energy: 0.965431082373414
Energy: 1.0791899230935373
Energy: 0.9654310823742173
Energy: 1.2526541539751723
Energy: 1.0032292727371919
Energy: 0.9776988793636946
Energy: 1.0032292727379952
Energy: 0.9670075556998804
Energy: 0.9654647676482951
Energy: 1.1838973576464806
Energy: 0.9654647676474919

minimum gb energy = 0.9331659309082051 eV
minimum distance =  2.1531344201785 Angstroms
sigma value = 29


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

Energy: 0.9771569290809774
Energy: 0.8933284612345065
Energy: 1.0873780249991594
Energy: 0.8933284612347862
Energy: 0.9093759991642492
Energy: 0.9465348961804624
Energy: 0.9724756461316308
Energy: 0.9465348961788148
Energy: 0.9247976687512793
Energy: 1.0285365671142792
Energy: 1.1163889259642088
Energy: 1.0285365671181028
Energy: 0.9728731209922628
Energy: 0.9778184410960279
Energy: 0.946212791110903
Energy: 0.9778184410971159
Energy: 0.9774572173475979
Energy: 0.977761960792505
Energy: 1.1171296465398008
Energy: 0.9777619607930647
Energy: 0.893700380545067
Energy: 1.0331635888250439
Energy: 0.8936783062836007
Energy: 1.0331635888253239
Energy: 0.9085937954171873
Energy: 0.9787898547341617
Energy: 0.9774998933907911
Energy: 0.9787898547347214
Energy: 0.9461855599431815
Energy: 0.9778244666480443
Energy: 0.9728945601207161
Energy: 0.9778244666472049
Energy: 1.1163711803894958
Energy: 1.0285882446682169
Energy: 0.9247269507345872
Energy: 1.0285882446698644

minimum gb energy = 0.8933284612345065 eV
minimum distance =  2.20458497035109 Angstroms
sigma value = 5


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

Energy: 0.9464387772632699
Energy: 0.9308101466737121
Energy: 1.0937025491655756
Energy: 0.9308101466744708
Energy: 1.1002160064827395
Energy: 1.2727441462292512
Energy: 0.8873768804375679
Energy: 1.2727441462300098
Energy: 0.8932793830934933
Energy: 0.9086318180118522
Energy: 1.0925580297536879
Energy: 0.908631818012611
Energy: 0.8732039346788818
Energy: 0.9817160958882332
Energy: 0.9106160387372401
Energy: 0.9817160958897507
Energy: 0.9155692715665968
Energy: 0.9941111227965802
Energy: 1.0749738834420735
Energy: 0.9941111227958214
Energy: 0.8972144012729522
Energy: 1.0282036560192784
Energy: 0.887548882710982
Energy: 1.0282036560192784
Energy: 0.8933760453540323
Energy: 0.9930257711355408
Energy: 0.8847781964993799
Energy: 0.9930257711355408
Energy: 0.893676762678489
Energy: 1.029445502036061
Energy: 0.8953443667179698
Energy: 1.0294455020375441
Energy: 0.9153041198399376
Energy: 0.9933128641199407
Energy: 0.8946119434873264
Energy: 0.9933128641206994
Energy: 0.9162168101661754
Energy: 0.9941554263507547
Energy: 0.8817826591315261
Energy: 0.9941554263522723
Energy: 0.8739426992771597
Energy: 1.1352316341863005
Energy: 0.8943570526124345
Energy: 1.1352316341855415
Energy: 0.8937266724774606
Energy: 1.147413450535588
Energy: 0.9305764038804296
Energy: 1.1474134505401405
Energy: 0.8971282059823702
Energy: 0.9321044521061135
Energy: 0.9362342128293141
Energy: 0.9321044521061135
Energy: 0.917090004629987
Energy: 0.9306252027422661
Energy: 0.9116318271236731
Energy: 0.9306252027422661
Energy: 0.92400356669912
Energy: 1.0857253403605052
Energy: 0.8944263274945267
Energy: 1.0857253403612641
Energy: 0.9131651607626851
Energy: 0.9087324185483858
Energy: 0.8825113111326939
Energy: 0.9087324185491445
Energy: 1.096618869939017
Energy: 1.098839026698991
Energy: 0.8990408136280073
Energy: 1.0988390266974735
Energy: 0.9164271072736764
Energy: 1.0275859366643323
Energy: 0.9674317540984912
Energy: 1.0275859366658497
Energy: 0.8994935886073959
Energy: 0.9946336618527211
Energy: 0.8895092397670122
Energy: 0.9946336618512035
Energy: 0.8937997042069982
Energy: 0.97807151214293
Energy: 0.9078031827975169
Energy: 0.9780715121452063
Energy: 0.8729486529529472
Energy: 1.132772084726744
Energy: 0.9129462355115725
Energy: 1.132772084726744
Energy: 0.9160757122560116
Energy: 0.9938334337203322
Energy: 0.9062007026247825
Energy: 0.9938334337188146
Energy: 0.8874476143493747
Energy: 1.131546428202405
Energy: 0.8725396562157066
Energy: 1.131546428201646
Energy: 0.9293789504404019
Energy: 0.954683110208226
Energy: 0.8939333866696284
Energy: 0.9546831102105023
Energy: 0.9383272499834997
Energy: 0.9360590849060965
Energy: 0.8964473097601215
Energy: 0.9360590849053377
Energy: 0.9233889763738823
Energy: 0.9310008952044134
Energy: 0.9155773222713622
Energy: 0.9310008952044134
Energy: 0.8982376662223653
Energy: 1.0739595358857474
Energy: 0.9190579752746225
Energy: 1.0739595358842298
Energy: 0.8931829344223348
Energy: 1.1360354660294842
Energy: 0.9131617026626488
Energy: 1.1360354660325194
Energy: 0.8946029884298795
Energy: 1.2724124915535164
Energy: 1.1064122239817655
Energy: 1.27241249155124
Energy: 0.9834300016198891
Energy: 0.9309831541466059
Energy: 0.9163976297530629
Energy: 0.9309831541435708
Energy: 0.8982746004439561
Energy: 0.9089311038061313
Energy: 0.9827080773502419
Energy: 0.9089311038068901
Energy: 1.0954288147915339
Energy: 0.9494784701846908
Energy: 0.8937482885549131
Energy: 0.9494784701846908
Energy: 0.9152485079104826
Energy: 1.1353110702094125
Energy: 0.8744412588223388
Energy: 1.1353110702094125

minimum gb energy = 0.8725396562157066 eV
minimum distance =  2.01764507919743 Angstroms
sigma value = 1


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

Energy: 0.9229504190334215
Energy: 0.9207311065587039
Energy: 1.3009063936717453
Energy: 0.9207311065587039
Energy: 0.9391396354587789
Energy: 1.1696384954238834
Energy: 0.8922334267128355
Energy: 1.1696384954228343
Energy: 0.866655349602022
Energy: 0.9204871796828236
Energy: 1.2352824713588846
Energy: 0.9204871796817745
Energy: 0.8907385508395961
Energy: 0.9867001467772091
Energy: 0.8939773107075392
Energy: 0.9867001467772091
Energy: 0.8671673347102015
Energy: 1.0206424812535277
Energy: 0.91477904047705
Energy: 1.0206424812535277
Energy: 0.8665039166648215
Energy: 1.1728209646174184
Energy: 0.8938056865049973
Energy: 1.1728209646174184
Energy: 0.8670426378611314
Energy: 1.0219591173060387
Energy: 0.8935857006495626
Energy: 1.0219591173070879
Energy: 0.8664937367084194
Energy: 1.0531239316509688
Energy: 0.9050570541196614
Energy: 1.0531239316509688
Energy: 0.9197206305374734
Energy: 0.9350841544751913
Energy: 0.90562943907341
Energy: 0.9350841544762405
Energy: 0.9196580179069642
Energy: 0.9349784022749922
Energy: 0.906796131441897
Energy: 0.9349784022749922
Energy: 0.8665374345338682
Energy: 1.0531248736498675
Energy: 0.9080987247670242
Energy: 1.0531248736519658
Energy: 0.866346262330184
Energy: 1.0218805163559905
Energy: 0.897756320494619
Energy: 1.0218805163559905
Energy: 0.8668640719959584
Energy: 1.1729109466139236
Energy: 0.8937996911701209
Energy: 1.1729109466139236
Energy: 0.8671970750828031
Energy: 1.0206493369114313
Energy: 0.920272042018496
Energy: 1.0206493369114313
Energy: 0.8904194937615777
Energy: 0.9866988649561387
Energy: 0.8939858224225073
Energy: 0.9866988649550896
Energy: 0.8666485874226443
Energy: 0.9206121668195884
Energy: 0.9479381206267179
Energy: 0.9206121668195884
Energy: 0.9391713910342568
Energy: 1.1695285495228178
Energy: 0.8922305074788173
Energy: 1.169528549524916
Energy: 0.9229504190334215
Energy: 0.9207311065587039
Energy: 1.086676195772493
Energy: 0.9207311065587039
Energy: 0.9391396354598279
Energy: 1.1696384954249326
Energy: 0.8922334267128355
Energy: 1.1696384954249326
Energy: 0.866655349602022
Energy: 0.9204871796807252
Energy: 1.2352824713588846
Energy: 0.9204871796796762
Energy: 0.890738550838547
Energy: 0.9867001467782583
Energy: 0.8939773107075392
Energy: 0.9867001467782583
Energy: 0.8671673347102015
Energy: 1.0206424812535277
Energy: 0.9085223782067308
Energy: 1.0206424812524786
Energy: 0.8665039166627232
Energy: 1.1728209646174184
Energy: 0.8938056865018498
Energy: 1.1728209646174184
Energy: 0.8670426378600822
Energy: 1.0219591173070879
Energy: 0.8900041167458668
Energy: 1.0219591173049896

minimum gb energy = 0.866346262330184 eV
minimum distance =  2.21200900524794 Angstroms
sigma value = 17


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

Energy: 0.8807634516430121
Energy: 0.8780998997278012
Energy: 1.032732997276987
Energy: 0.8780998997271527
Energy: 0.8790118447145501
Energy: 1.0223864968913385
Energy: 0.8423200867050784
Energy: 1.0223864968926355
Energy: 0.8431476337034954
Energy: 0.8550637805064273
Energy: 1.0301106073092605
Energy: 0.8550637805057788
Energy: 0.8515793959957673
Energy: 0.9876484430519965
Energy: 0.8398122372692125
Energy: 0.987648443053942
Energy: 0.8245242708547829
Energy: 1.0468841453472877
Energy: 0.875855713892156
Energy: 1.0468841453472877
Energy: 0.8083631318471743
Energy: 1.1597022719042873
Energy: 0.8657919250930265
Energy: 1.1597022719042873
Energy: 0.8501831357597005
Energy: 0.9177751751761114
Energy: 0.8661933155636725
Energy: 0.9177751751767599
Energy: 0.8209427298438112
Energy: 1.0806538562255992
Energy: 0.8303020592649134
Energy: 1.0806538562262475
Energy: 0.8649053772090064
Energy: 1.0959889468160695
Energy: 0.8494279115745458
Energy: 1.0959889468147728
Energy: 0.8679704851652833
Energy: 1.0585663548219426
Energy: 0.8452316525125384
Energy: 1.058566354821294
Energy: 0.8426819293475123
Energy: 1.1575580868350819
Energy: 0.8317817428009513
Energy: 1.1575580868344335
Energy: 0.8459958367117251
Energy: 0.9205859105699071
Energy: 0.8232034686735782
Energy: 0.9205859105712041
Energy: 0.8070288949639208
Energy: 1.2233728300985014
Energy: 0.8502773742800932
Energy: 1.2233728301004467
Energy: 0.8245860940847283
Energy: 0.9443200369279058
Energy: 0.8762856836002102
Energy: 0.9443200369279058
Energy: 0.8193383456526024
Energy: 0.9986767012102155
Energy: 0.8879886119471168
Energy: 0.9986767012179969
Energy: 0.8429529798611523
Energy: 0.8560671256510994
Energy: 0.8592551933325172
Energy: 0.8560671256510994
Energy: 0.8475269577832182
Energy: 0.9980312117202244
Energy: 0.8497724760261989
Energy: 0.998031211718279
Energy: 0.8374469026698003
Energy: 0.878403308216212
Energy: 0.9667870304165163
Energy: 0.8784033082168605
Energy: 0.87668567367318
Energy: 1.1590345361185046
Energy: 0.842576265792701
Energy: 1.1590345361198013
Energy: 0.8625573853675863
Energy: 0.8551715440135548
Energy: 0.8495574472523498
Energy: 0.8551715440135548
Energy: 0.8534951792185462
Energy: 0.857229779178558
Energy: 0.8384256272775644
Energy: 0.8572297791792064
Energy: 0.8377116420012631
Energy: 0.8787351620233385
Energy: 0.8572725559679748
Energy: 0.8787351620129634
Energy: 0.8438414019030674
Energy: 1.0111934755535639
Energy: 0.8637000009649453
Energy: 1.0111934755516183
Energy: 0.842533636370089
Energy: 0.91842487178018
Energy: 1.0043982501082551
Energy: 0.9184248717808283
Energy: 0.8302173012478538
Energy: 0.8790204510016563
Energy: 0.8386207992937376
Energy: 0.8790204509977656
Energy: 0.8365493751670873
Energy: 0.9460897710086531
Energy: 0.8467465122028598
Energy: 0.9460897710093016
Energy: 0.9769764047750304
Energy: 1.185117905830613
Energy: 0.8435538864462834
Energy: 1.1851179058299646
Energy: 0.8860532460197237
Energy: 1.0677905202351745
Energy: 0.8189133347817801
Energy: 1.0677905202384168
Energy: 0.8761845072796624
Energy: 0.943783401106493
Energy: 0.8250044511742559
Energy: 0.943783401106493
Energy: 0.8368675342985633
Energy: 1.224124944318649
Energy: 0.8399295461100341
Energy: 1.224124944319946
Energy: 0.8258831887406964
Energy: 0.943863295222051
Energy: 0.8434442060736435
Energy: 0.943863295222051
Energy: 0.8188202461626294
Energy: 1.199024054689728
Energy: 0.8399463099069935
Energy: 1.1990240546877826
Energy: 0.8438885043829807
Energy: 1.0590531989250573
Energy: 1.0009752965987384
Energy: 1.059053198924409
Energy: 0.8682806626926193
Energy: 1.0913414731159239
Energy: 0.8640120741966315
Energy: 1.091341473114627
Energy: 0.8252496099754512
Energy: 0.8794666276474534
Energy: 0.8607176333540748
Energy: 0.8794666276448596
Energy: 0.8655324588363836
Energy: 0.9189050711488962
Energy: 0.8493302854321573
Energy: 0.9189050711482477
Energy: 0.8639271774950611
Energy: 1.1592136697725919
Energy: 0.8094443959254918
Energy: 1.1592136697745372
Energy: 0.8760130201432191
Energy: 1.0483028086886923
Energy: 0.837652114604448
Energy: 1.0483028086893407

minimum gb energy = 0.8070288949639208 eV
minimum distance =  2.13294810711866 Angstroms
sigma value = 89


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

Energy: 0.8133713904010725
Energy: 0.8121986641409744
Energy: 1.1794601947359171
Energy: 0.8121986641409744
Energy: 0.8202373776316559
Energy: 0.8560019415692456
Energy: 0.8229608057169596
Energy: 0.8560019415692456
Energy: 0.8213734670090529
Energy: 1.0148097108726117
Energy: 1.332038357834519
Energy: 1.0148097108726117
Energy: 1.0060827346937005
Energy: 0.8559514375192527
Energy: 0.8229878006224408
Energy: 0.8559514375192527
Energy: 0.8203405369950747
Energy: 0.896623039980485
Energy: 1.041713421396557
Energy: 0.896623039980485
Energy: 0.8201607576750855
Energy: 0.8129364113452086
Energy: 0.8156261460119265
Energy: 0.8129364113452086
Energy: 0.8215084322428854
Energy: 0.998859403217073
Energy: 0.8113827814360768
Energy: 0.998859403217073
Energy: 0.7878192934529842
Energy: 1.2493937846411804
Energy: 0.8230677354179758
Energy: 1.2493937846411804
Energy: 0.8203154605982341
Energy: 0.8971591072577731
Energy: 0.7951075953746933
Energy: 0.8971591072577731
Energy: 0.8558338963502229
Energy: 1.1505143218562386
Energy: 0.8149258447805982
Energy: 1.150514321854542
Energy: 0.8111824931993966
Energy: 0.8568677084988804
Energy: 0.8200305183700225
Energy: 0.8568677084988804
Energy: 0.8113812905453478
Energy: 0.9985147011011464
Energy: 0.8230380554673219
Energy: 0.9985147011011464
Energy: 0.8200187930742223
Energy: 0.8150465560768303
Energy: 0.7848603325271521
Energy: 0.8150465560768303
Energy: 0.8149202699841119
Energy: 0.8975633486052766
Energy: 0.8144681728441393
Energy: 0.8975633486052766
Energy: 0.7943949647077428
Energy: 0.8149834222460177
Energy: 0.8200276720186681
Energy: 0.8149834222460177

minimum gb energy = 0.7848603325271521 eV
minimum distance =  2.2361357123868 Angstroms
sigma value = 13


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

Energy: 0.7870507545220723
Energy: 1.0564891555322653
Energy: 0.9212376802591123
Energy: 1.0564891555322653
Energy: 0.7915546859967445
Energy: 0.7797499517193469
Energy: 0.7256364198559723
Energy: 0.7797499517214803
Energy: 0.7449058164717021
Energy: 1.0562735596649564
Energy: 0.8836571113342875
Energy: 1.056273559664245
Energy: 0.7423256212547382
Energy: 0.7800424120662233
Energy: 0.7214871612204666
Energy: 0.7800424120612454
Energy: 0.7528796010038699
Energy: 0.9483828164749946
Energy: 0.7424137862147434
Energy: 0.9483828164742835
Energy: 0.7233477104562449
Energy: 0.7758278607597558
Energy: 0.7545375339475513
Energy: 0.775827860761178
Energy: 0.7441911691358867
Energy: 1.0988365658589099
Energy: 0.771587302087439
Energy: 1.0988365658589099
Energy: 0.7085175800078352
Energy: 1.0892008214896132
Energy: 0.7546878318248832
Energy: 1.0892008214889022
Energy: 0.7531968889720377
Energy: 1.0986635833959018
Energy: 0.915562834218906
Energy: 1.0986635833937684
Energy: 0.8697428215351778
Energy: 0.980691855475133
Energy: 0.7216190222119148
Energy: 0.9806918554715774
Energy: 0.7483816940769333
Energy: 0.9790067116325822
Energy: 0.7153090115033145
Energy: 0.9790067116325822
Energy: 0.7699538186280817
Energy: 1.2357060879892026
Energy: 0.7207806578975668
Energy: 1.2357060879877806
Energy: 0.7946230225733009
Energy: 0.7625286809756749
Energy: 0.7165044219439594
Energy: 0.7625286809763859
Energy: 1.014102094897002
Energy: 0.9786862153534289
Energy: 0.7208855554597398
Energy: 0.9786862153527179
Energy: 0.7531438040636148
Energy: 0.9721995648271945
Energy: 0.7168655954552515
Energy: 0.9721995648236388
Energy: 0.751153679599609
Energy: 0.9779500599473702
Energy: 0.7243404402539892
Energy: 0.9779500599445256
Energy: 0.7447576771650068
Energy: 0.7435205742423695
Energy: 0.7244179464124004
Energy: 0.7435205742437919
Energy: 0.736224499231948
Energy: 1.0957334076571783
Energy: 0.7621570538028762
Energy: 1.0957334076586005
Energy: 0.7355873468470894
Energy: 1.0380512232690131
Energy: 0.7622149844657141
Energy: 1.0380512232690131
Energy: 0.7445026199041196
Energy: 1.0383069609141566
Energy: 0.7621741712542333
Energy: 1.0383069609127344
Energy: 0.736217243674407
Energy: 1.0957436148823343
Energy: 0.7619759529049805
Energy: 1.0957436148809119
Energy: 0.7447629101221377
Energy: 0.7425167730416546
Energy: 0.7244327144822321
Energy: 0.7425167730373878
Energy: 0.7511521701572891
Energy: 0.9781054565276347
Energy: 0.7242611116129757
Energy: 0.9781054565276347
Energy: 0.753146937853238
Energy: 0.9713721957385502
Energy: 0.7123691560854568
Energy: 0.9713721957385502
Energy: 1.0138361178103459
Energy: 0.9785181325752156
Energy: 0.7208651708737123
Energy: 0.9785181325752156
Energy: 0.7951683589788496
Energy: 0.7624295791188971
Energy: 0.7123472746556367
Energy: 0.7624295791181858
Energy: 0.7695723441328063
Energy: 1.2358131637937262
Energy: 0.7208356585151412
Energy: 1.235813163793015
Energy: 0.7532397659629846
Energy: 0.9792098758726189
Energy: 0.7120711537323685
Energy: 0.9792098758726189
Energy: 0.8697040551921313
Energy: 0.9807908067303513
Energy: 0.7216115972076629
Energy: 0.9807908067310626
Energy: 0.7440798351178264
Energy: 1.0986514080615726
Energy: 0.9555168666141503
Energy: 1.0986514080615726
Energy: 0.7081948680802561
Energy: 1.0891518279922345
Energy: 0.7548620262446685
Energy: 1.0891518279908123
Energy: 0.7440681188043329
Energy: 1.0986032610457896
Energy: 0.8579828646954792
Energy: 1.0986032610450787
Energy: 0.723467892583654
Energy: 0.7758518065270225
Energy: 0.7545889515945159
Energy: 0.7758518065270225
Energy: 0.7530385841039116
Energy: 0.9478851184372081
Energy: 0.7333031773360178
Energy: 0.9478851184372081
Energy: 0.7421145871782024
Energy: 0.7805186939182138
Energy: 0.7214853109988975
Energy: 0.7805186939182138

minimum gb energy = 0.7081948680802561 eV
minimum distance =  2.26604464306399 Angstroms
sigma value = 37


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

Energy: 0.756737855064755
Energy: 0.7546461163400044
Energy: 0.8875561674534708
Energy: 0.7546461163400044
Energy: 0.7303242143476893
Energy: 1.0109207191116385
Energy: 0.6954764786172435
Energy: 1.0109207191116385
Energy: 0.7097845174835132
Energy: 1.2612223062271366
Energy: 1.1988013328552298
Energy: 1.2612223062271366
Energy: 0.6904525224369649
Energy: 1.0145050452239461
Energy: 0.6954988234992203
Energy: 1.0145050452239461
Energy: 0.6945599692625594
Energy: 1.0103686105041778
Energy: 0.9227313518336276
Energy: 1.0103686105041778
Energy: 0.67653178755742
Energy: 1.0109690037904553
Energy: 0.6927027906347211
Energy: 1.0109690037904553
Energy: 0.7174708889437655
Energy: 1.296631195511777
Energy: 0.7310521341467546
Energy: 1.296631195511777
Energy: 0.6900952863783304
Energy: 0.7555041229957933
Energy: 0.7567774617498123
Energy: 0.7555041229957933
Energy: 0.6951073114484222
Energy: 1.036912268695401
Energy: 0.7305002986086958
Energy: 1.036912268695401
Energy: 0.9875447241424593
Energy: 1.2712242674764478
Energy: 0.692818799398257
Energy: 1.2712242674764478
Energy: 0.7278928860896452
Energy: 1.3248321656166937
Energy: 0.6920468654499627
Energy: 1.3248321656154705
Energy: 0.9748874537791614
Energy: 1.0110539633545699
Energy: 0.6954980882651558
Energy: 1.0110539633557933
Energy: 0.6952089207666767
Energy: 1.0370066293007905
Energy: 0.6759289030756989
Energy: 1.0370066293007905
Energy: 0.9235752067099635
Energy: 1.3149527107225627
Energy: 0.6904865771792192
Energy: 1.3149527107225627
Energy: 0.7536349273648216
Energy: 0.805389862836915
Energy: 0.6927631718111542
Energy: 0.805389862836915
Energy: 0.7538523634077129
Energy: 1.0378000296948622
Energy: 0.6957107772320481
Energy: 1.0378000296936385
Energy: 0.695355347018352
Energy: 1.263449485837564
Energy: 0.6742590658107579
Energy: 1.2634494858363408
Energy: 0.6964511906882687
Energy: 1.327879064638251
Energy: 0.6905424823361259
Energy: 1.327879064638251
Energy: 0.6966025338206054
Energy: 1.0130356110363268
Energy: 0.6907858683335436
Energy: 1.0130356110351035
Energy: 0.6903941679787146
Energy: 1.0381451831900024
Energy: 0.6894294671671904
Energy: 1.0381451831912256

minimum gb energy = 0.6742590658107579 eV
minimum distance =  2.18647061529108 Angstroms
sigma value = 25


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

Energy: 0.6832228858746707
Energy: 1.020256129264015
Energy: 0.9153804087413976
Energy: 1.020256129264015
Energy: 0.7997185940878258
Energy: 1.0479137463050119
Energy: 0.6245489555187663
Energy: 1.0479137463050119
Energy: 0.6215907573652872
Energy: 0.6209533415313389
Energy: 1.0585481529271192
Energy: 0.6209533415313389
Energy: 0.6162922221371426
Energy: 1.0490954005916606
Energy: 0.6263344643771322
Energy: 1.0490954005907052
Energy: 0.6261574822352816
Energy: 1.0485732883472751
Energy: 0.8197842965486317
Energy: 1.0485732883491858
Energy: 0.5834124501900164
Energy: 1.0490556398798716
Energy: 0.6264636233023019
Energy: 1.0490556398808268
Energy: 0.62629699293039
Energy: 0.8242603759919797
Energy: 0.6164798944841811
Energy: 0.8242603759919797
Energy: 0.5808755305777566
Energy: 0.8850196781604164
Energy: 0.6227830822996482
Energy: 0.8850196781613718
Energy: 0.6261734164493649
Energy: 1.0484611479581833
Energy: 0.8745600617026984
Energy: 1.0484611479591388
Energy: 0.5830496867700642
Energy: 1.0208876749198972
Energy: 0.6842472246421077
Energy: 1.0208876749189417
Energy: 0.626301790323245
Energy: 0.8241157696331565
Energy: 0.8000533448728692
Energy: 0.8241157696341119
Energy: 0.8187764552727307
Energy: 1.0743117248413063
Energy: 0.6228720816045112
Energy: 1.0743117248413063
Energy: 0.6260727375434738
Energy: 1.0484246020353467
Energy: 0.6170914198898165
Energy: 1.0484246020353467
Energy: 0.8323302207688582
Energy: 1.0451256236160122
Energy: 0.6245507034450265
Energy: 1.0451256236169677
Energy: 0.6263155279656768
Energy: 0.8246404322973198
Energy: 0.583000378970622
Energy: 0.8246404322963644
Energy: 0.6171813067438762
Energy: 1.1041621655954323
Energy: 0.6293826238624177
Energy: 1.1041621655963878
Energy: 0.6262065687636317
Energy: 0.8848139671940177
Energy: 0.5732182312331983
Energy: 0.8848139671949732
Energy: 0.8081538057107818
Energy: 1.0477851632678779
Energy: 0.6246642784547534
Energy: 1.0477851632678779
Energy: 0.6876348690654687
Energy: 1.0195792644845731
Energy: 0.5834463016814837
Energy: 1.0195792644855286
Energy: 0.941090908985503
Energy: 1.1048574595641796
Energy: 0.6290267070691483
Energy: 1.1048574595641796
Energy: 0.6262941136296964
Energy: 1.0738849381403992
Energy: 0.5749999362606871
Energy: 1.0738849381403992
Energy: 0.6236986507852488
Energy: 1.0485122084023182
Energy: 0.6246873154157186
Energy: 1.0485122084023182
Energy: 0.6265073737127043
Energy: 1.094680218351281
Energy: 0.8261320787072713
Energy: 1.09468021834937
Energy: 0.588821574455724
Energy: 1.1041439264398276
Energy: 0.6292479819704994
Energy: 1.1041439264388722
Energy: 0.6247533465056667
Energy: 1.1530794454543312
Energy: 0.8259758105343654
Energy: 1.1530794454552866
Energy: 0.5828347244142595
Energy: 0.8852453821828249
Energy: 0.6271441678466914
Energy: 0.8852453821828249

minimum gb energy = 0.5732182312331983 eV
minimum distance =  2.0704753280249 Angstroms
sigma value = 41


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

Energy: 0.8207404795754613
Energy: 0.8951329751331639
Energy: 0.7128578169902064
Energy: 0.8951329751331639
Energy: 0.826389353566265
Energy: 0.8749084118175265
Energy: 0.5279317601870327
Energy: 0.8749084118175265
Energy: 0.5634702153474209
Energy: 0.8568453491864921
Energy: 0.9208025210909805
Energy: 0.8568453491872754
Energy: 0.6757829502293955
Energy: 0.8756521171160059
Energy: 0.5278856746484116
Energy: 0.8756521171160059
Energy: 0.5246187632049026
Energy: 0.8819748172923457
Energy: 0.5013009481399142
Energy: 0.8819748172915625
Energy: 0.5222371334603261
Energy: 0.8757119263165085
Energy: 0.527823473953013
Energy: 0.8757119263165085
Energy: 0.5273490690667093
Energy: 0.8770775069446606
Energy: 0.5276262756736926
Energy: 0.8770775069446606
Energy: 0.5020858555317248
Energy: 0.7313659537873273
Energy: 0.5252062330231511
Energy: 0.7313659537881108
Energy: 0.5300428976462725
Energy: 0.9678632585419165
Energy: 0.7392273699017604
Energy: 0.9678632585419165
Energy: 0.49353415075051177
Energy: 0.8573275704382773
Energy: 0.5640903878126191
Energy: 0.8573275704382773
Energy: 0.5273505975908858
Energy: 0.8755369759867984
Energy: 0.8267343550160534
Energy: 0.8755369759867984
Energy: 0.5016440790784974
Energy: 0.8954719189649722
Energy: 0.8214377977659284
Energy: 0.8954719189649722
Energy: 0.5298679432470323
Energy: 0.9666332342853373
Energy: 0.8267049338050172
Energy: 0.966633234284554
Energy: 0.6953242964683596
Energy: 1.0458081033715794
Energy: 0.5640976645650014
Energy: 1.0458081033715794
Energy: 0.5274837798668375
Energy: 0.8751060123670006
Energy: 0.6760520827523528
Energy: 0.8751060123677838
Energy: 0.7071460466159452
Energy: 0.8903471406878564
Energy: 0.5251925181000516
Energy: 0.8903471406886396
Energy: 0.5299421643945306
Energy: 0.9658558098698119
Energy: 0.5859955888658567
Energy: 0.9658558098682455
Energy: 0.527959520815586
Energy: 1.0457329301337686
Energy: 0.5280561794632908
Energy: 1.0457329301369016
Energy: 0.5274662897393404
Energy: 0.7312313606045038
Energy: 0.5003892566054648
Energy: 0.7312313606045038
Energy: 0.5604172501987689
Energy: 0.9667011561650534
Energy: 0.5294144589727204
Energy: 0.9667011561674032
Energy: 0.5660762075843851
Energy: 0.9655504549283079
Energy: 0.49408981585780537
Energy: 0.9655504549275246
Energy: 0.8282064130264616
Energy: 1.118399866162282
Energy: 0.5281394563831663
Energy: 1.118399866162282
Energy: 0.823294666259132
Energy: 0.8968981483139843
Energy: 0.5000045767909878
Energy: 0.8968981483147677
Energy: 0.8371296377745143
Energy: 0.9669070087084887
Energy: 0.5295416682149335
Energy: 0.9669070087100552
Energy: 0.5660925192048157
Energy: 1.041825289222955
Energy: 0.48603534302438145
Energy: 1.041825289227654
Energy: 0.7906459576076384
Energy: 1.0559171253255155
Energy: 0.5280992232374115
Energy: 1.0559171253231656
Energy: 0.5274425361955868
Energy: 0.890481847812288
Energy: 0.7039531611848909
Energy: 0.8904818478130712
Energy: 0.534435566442081
Energy: 0.9744810191359625
Energy: 0.5294605845216878
Energy: 0.9744810191367458
Energy: 0.5300251893686448
Energy: 1.0413435411791008
Energy: 0.7070824755696985
Energy: 1.0413435411798486
Energy: 0.5082488322203956
Energy: 1.022831504841076
Energy: 0.5306533379243829
Energy: 1.0228315048418597
Energy: 0.5268003157286936
Energy: 0.9681655463567458
Energy: 0.7267183228586417
Energy: 0.9681655463559625
Energy: 0.5086483804097569
Energy: 0.9740063770937315
Energy: 0.5690864527382116
Energy: 0.9740063770929483

minimum gb energy = 0.48603534302438145 eV
minimum distance =  2.05305103196927 Angstroms
sigma value = 15


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

Energy: 0.7257945710451941
Energy: 0.8878544283768863
Energy: 0.7397837182935274
Energy: 0.8878544283782134
Energy: 0.8283495340757062
Energy: 0.8256950213033789
Energy: 0.4781480421660524
Energy: 0.8256950213033789
Energy: 0.5109418564708028
Energy: 0.47801967145643826
Energy: 0.8282379480483929
Energy: 0.4780196714590924
Energy: 0.7074955767098636
Energy: 0.8264460025171605
Energy: 0.47803797241237017
Energy: 0.8264460025171605
Energy: 0.47602056316840047
Energy: 0.9673043903750894
Energy: 0.6678524400333767
Energy: 0.9673043903744258
Energy: 0.5780690460423231
Energy: 0.8258216371562276
Energy: 0.47804494524684005
Energy: 0.8258216371575545
Energy: 0.47751265259430814
Energy: 0.7781791593753876
Energy: 0.4454909994684601
Energy: 0.778179159374724
Energy: 0.4454725823099707
Energy: 0.7772063822632916
Energy: 0.4781513448244335
Energy: 0.7772063822639551
Energy: 0.4792601248402395
Energy: 0.9071496397262324
Energy: 0.6353717264273995
Energy: 0.907149639725569
Energy: 0.4375166139127476
Energy: 0.825447996616122
Energy: 0.47636492217370685
Energy: 0.8254479966194396
Energy: 0.4777460205422127
Energy: 0.8282544630977949
Energy: 0.7075803548746339
Energy: 0.8282544630984585
Energy: 0.4298887513770982
Energy: 0.4788208142172337
Energy: 0.5112167261786501
Energy: 0.4788208142145796
Energy: 0.4792214496222263
Energy: 0.8376268300859222
Energy: 0.8791863757559041
Energy: 0.8376268300865858
Energy: 0.4366517989347225
Energy: 0.8885860864828453
Energy: 0.7261255311438611
Energy: 0.8885860864815182
Energy: 0.47778674652046577
Energy: 0.8252319028184161
Energy: 0.8291269952416876
Energy: 0.8252319028217338
Energy: 0.6001375144426615
Energy: 0.47898017952762895
Energy: 0.5112748132008033
Energy: 0.4789801795302831
Energy: 0.4792271984268987
Energy: 0.9032496032652151
Energy: 0.7078418352350024
Energy: 0.9032496032672056
Energy: 0.6106527903118457
Energy: 0.9684799038560323
Energy: 0.47639650151538043
Energy: 0.968479903856696
Energy: 0.47786529580672943
Energy: 0.8249550869384276
Energy: 0.577225884488514
Energy: 0.824955086939091
Energy: 0.445845914545504
Energy: 0.7549435296567178
Energy: 0.4779846264356962
Energy: 0.7549435296573814
Energy: 0.4793701418876727
Energy: 0.8598274466127739
Energy: 0.4458184023762848
Energy: 0.8598274466114467
Energy: 0.4809167934419615
Energy: 0.9059200875863512
Energy: 0.48142007797456354
Energy: 0.9059200875856877
Energy: 0.4776461702775349
Energy: 0.8249335624521628
Energy: 0.43456543284716387
Energy: 0.8249335624521628
Energy: 0.7084619813898598
Energy: 0.8254125435927662
Energy: 0.47824929304426544
Energy: 0.8254125435960838
Energy: 0.5124246067953492
Energy: 0.8591771700069991
Energy: 0.42912982063745364
Energy: 0.859177170004345
Energy: 0.7370514822424987
Energy: 0.837864990366939
Energy: 0.48126587270342897
Energy: 0.837864990368266
Energy: 0.7273555223931835
Energy: 0.8898172670346447
Energy: 0.4344737353347192
Energy: 0.8898172670346447
Energy: 0.9342380212063309
Energy: 0.8252152823001766
Energy: 0.4782287226385191
Energy: 0.8252152823008401
Energy: 0.5126290548181373
Energy: 1.0001998525643716
Energy: 0.422471543774583
Energy: 1.000199852563708
Energy: 0.7144670685766252
Energy: 0.9079616174763062
Energy: 0.4813058214295611
Energy: 0.9079616174749792
Energy: 0.47777232477753995
Energy: 0.9092097485853362
Energy: 0.607484966051218
Energy: 0.9092097485866633
Energy: 0.6907320760600455
Energy: 0.8246905644590894
Energy: 0.47837316170466926
Energy: 0.824690564462407
Energy: 0.47934200756736867
Energy: 0.9503234009854783
Energy: 0.6061857536895238
Energy: 0.9503234009848147
Energy: 0.450121186951805
Energy: 0.8592397372833217
Energy: 0.48139202575290846
Energy: 0.8592397372833217
Energy: 0.46658728924245096
Energy: 0.9126968924616857
Energy: 0.6233705222273511
Energy: 0.9126968924603587
Energy: 0.433467237221671
Energy: 0.8244906933204337
Energy: 0.47972116805918147
Energy: 0.8244906933177796
Energy: 0.4795038453761844
Energy: 0.9500778290681849
Energy: 0.7099370958925185
Energy: 0.9500778290715024

minimum gb energy = 0.422471543774583 eV
minimum distance =  2.16720753621393 Angstroms
sigma value = 85


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

Energy: 0.7354116418432632
Energy: 0.8759803891038849
Energy: 0.4085435593102775
Energy: 0.8759803891033094
Energy: 0.8979553673092953
Energy: 0.8194702979123855
Energy: 0.47474154357048043
Energy: 0.8194702979123855
Energy: 0.6908211100087285
Energy: 0.7612909594379086
Energy: 0.423569535580084
Energy: 0.7612909594367576
Energy: 0.7913597758742597
Energy: 0.8194009760259332
Energy: 0.475294541956062
Energy: 0.8194009760259332
Energy: 0.5163937803957607
Energy: 0.719968461621283
Energy: 0.656926375746372
Energy: 0.7199684616218586
Energy: 0.6853018195078292
Energy: 0.8204035376627273
Energy: 0.475212455455035
Energy: 0.8204035376621519
Energy: 0.4730564912579195
Energy: 0.7498015711387961
Energy: 0.4391272912214338
Energy: 0.7498015711387961
Energy: 0.563752806405646
Energy: 0.8193052693747633
Energy: 0.47503164717454394
Energy: 0.8193052693747633
Energy: 0.4746910337646778
Energy: 0.7403798904543837
Energy: 0.6155486443380086
Energy: 0.7403798904532328
Energy: 0.4386769250201301
Energy: 0.7494253639473388
Energy: 0.47346143233804167
Energy: 0.7494253639467633
Energy: 0.4755106365747415
Energy: 0.8216030406585795
Energy: 0.6854093755593916
Energy: 0.8216030406597306
Energy: 0.42050736107048664
Energy: 0.7020056374735544
Energy: 0.5167964983563592
Energy: 0.7020056374729788
Energy: 0.4748116292885285
Energy: 0.7394740136334
Energy: 0.7909594711885103
Energy: 0.7394740136322491
Energy: 0.41534706137202093
Energy: 0.7614014520995757
Energy: 0.6912332221704574
Energy: 0.7614014521001511
Energy: 0.47617399204075206
Energy: 0.8192344301393544
Energy: 0.8982543162135178
Energy: 0.8192344301387787
Energy: 0.4209659221641077
Energy: 0.8762461127480419
Energy: 0.7357768942642476
Energy: 0.8762461127468909
Energy: 0.47472923521469523
Energy: 0.7395898396240135
Energy: 0.8982379544749276
Energy: 0.7395898396245889
Energy: 0.5615428870419502
Energy: 0.761370808612028
Energy: 0.6912550418365816
Energy: 0.7613708086114526
Energy: 0.4754351351428802
Energy: 0.8192214527822728
Energy: 0.7921257585534797
Energy: 0.8192214527816973
Energy: 0.5699475721406653
Energy: 0.9349132697264362
Energy: 0.5168050720545354
Energy: 0.9349132697270117
Energy: 0.47473357794792936
Energy: 0.7396212327225632
Energy: 0.6857391971064868
Energy: 0.7396212327231386
Energy: 0.43904756005442314
Energy: 0.747468644252153
Energy: 0.47350224013341313
Energy: 0.747468644251002
Energy: 0.47628264662762304
Energy: 0.8187570910072245
Energy: 0.5615585742279124
Energy: 0.8187570910054981
Energy: 0.4863583049262745
Energy: 0.897940149791661
Energy: 0.47510756212224525
Energy: 0.897940149791661
Energy: 0.4747682674686916
Energy: 0.639913181006832
Energy: 0.4392604868674004
Energy: 0.6399131810074075
Energy: 0.685809600122079
Energy: 0.8194063462150233
Energy: 0.47622539108661616
Energy: 0.8194063462161744
Energy: 0.5181036762317208
Energy: 0.8186133039583163
Energy: 0.4225510031951434
Energy: 0.8186133039583163
Energy: 0.7206464939285586
Energy: 0.9336473909059106
Energy: 0.47533431836279894
Energy: 0.9336473909064861
Energy: 0.6926699432223351
Energy: 0.7618953951324828
Energy: 0.41553996296030166
Energy: 0.761895395125577
Energy: 0.8990585644010574
Energy: 0.8193951786117463
Energy: 0.47634482217729374
Energy: 0.8193951786123218
Energy: 0.7371144705537924
Energy: 0.8769961085600516
Energy: 0.4225936353560801
Energy: 0.876996108560627
Energy: 0.8926828547450089
Energy: 0.9338948604962394
Energy: 0.4753425051088314
Energy: 0.9338948604968148
Energy: 0.6927002732490911
Energy: 0.7619061274811734
Energy: 0.41278079140282553
Energy: 0.7619061274817489
Energy: 0.8594954170362807
Energy: 0.8194963542347028
Energy: 0.47621030685697313
Energy: 0.8194963542347028
Energy: 0.5181789217559093
Energy: 0.9363277338989702
Energy: 0.5728752810424844
Energy: 0.936327733900121
Energy: 0.6556109092122923
Energy: 0.932049489536385
Energy: 0.4753187545750331
Energy: 0.932049489536385
Energy: 0.4748441734262767
Energy: 0.7481248761652718
Energy: 0.5692371155143754
Energy: 0.7481248761646963
Energy: 0.6350166601580363
Energy: 0.8186699813311206
Energy: 0.4762986297743009
Energy: 0.8186699813299695
Energy: 0.4763470186813284
Energy: 0.9036649949833152
Energy: 0.5876572484820658
Energy: 0.9036649949833152
Energy: 0.44070599064662236
Energy: 0.899259170173628
Energy: 0.47603323879701076
Energy: 0.899259170173628
Energy: 0.474212794899854
Energy: 0.8198615765998181
Energy: 0.6868215701414908
Energy: 0.8198615765998181
Energy: 0.42117713712644
Energy: 0.8185463152541251
Energy: 0.519825360830585
Energy: 0.8185463152552761
Energy: 0.47574489534776127
Energy: 0.9035326511340215
Energy: 0.8014334743554331
Energy: 0.9035326511345969

minimum gb energy = 0.4085435593102775 eV
minimum distance =  2.16780495009661 Angstroms
sigma value = 113


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

Energy: -0.05428339118188747
Energy: -0.053915337657240915
Energy: 1.1285087938349851
Energy: -0.05391533765810112
Energy: 0.4413094198546477
Energy: 1.6440068732874167
Energy: 0.2939439168973923
Energy: 1.6440068732869986
Energy: -0.05428339118188747
Energy: -0.053915337657658734
Energy: 1.6247588473798764
Energy: -0.05391533765679852
Energy: 0.441309419855508
Energy: 1.6440068732861384
Energy: 0.2939439410973292
Energy: 1.6440068732861384
Energy: -0.05428339118188747
Energy: -0.053915337657240915
Energy: 0.4415124871608709
Energy: -0.05391533765810112
Energy: 0.44130941985506555
Energy: 1.6440068732861384
Energy: 0.2939439047278078
Energy: 1.6440068732865565

minimum gb energy = -0.05428339118188747 eV
minimum distance =  2.44929802337851 Angstroms
sigma value = 1