Model name: model_name=SNAP_LiHuChen_2018_Cu__MO_529419924683_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=3.6336620748043056
cohesive_energy=2.566513389751755
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: -1.53523501962818 eV

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

Energy: 0.00983003036243971
Energy: 0.010093327318172673
Energy: 0.009941479009764947
Energy: 0.010093327318172673
Energy: 0.010093327318172673
Energy: 1.0054535683573287
Energy: 0.010093327318172673
Energy: 1.0054535683573287
Energy: 0.009941479009764947
Energy: 0.010093327318172673
Energy: 0.00983003036243971
Energy: 0.010093327318172673
Energy: 0.010093327318172673
Energy: 1.0054535683573287
Energy: 0.010093327318172673
Energy: 1.0054535683573287

minimum gb energy = 0.00983003036243971 eV
minimum distance =  2.50293826097935 Angstroms
sigma value = 1


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

Energy: 0.9062148172358753
Energy: 0.9791540569202014
Energy: 0.8288944268609714
Energy: 0.9791540569202014
Energy: 0.8862079887164026
Energy: 0.9463104746722041
Energy: 0.8869160823594825
Energy: 0.9463104746722041
Energy: 0.8413314760338287
Energy: 0.9714958221103028
Energy: 0.8713959960070878
Energy: 0.9714958221103028
Energy: 0.8622109838080593
Energy: 0.9822984100174992
Energy: 0.8664751692876526
Energy: 0.9822984100174992
Energy: 0.863884960556656
Energy: 0.9809633507271399
Energy: 0.8503043500976536
Energy: 0.9809633507271399
Energy: 0.8263584985829543
Energy: 1.1219856468407376
Energy: 0.8226370298125553
Energy: 1.1219856468407376
Energy: 0.8893991650269412
Energy: 0.9695937227072084
Energy: 0.8277956048316708
Energy: 0.9695937227064557
Energy: 0.7642862133479535
Energy: 0.985389304017311
Energy: 0.8168947582500901
Energy: 0.985389304017311
Energy: 0.8659092807842025
Energy: 1.122068289308895
Energy: 0.8836388169912006
Energy: 1.122068289308895
Energy: 0.8214743323767417
Energy: 0.9708324905787352
Energy: 0.7545764707662308
Energy: 0.9708324905787352
Energy: 0.8817555667581822
Energy: 0.941722603444964
Energy: 0.8661313702500819
Energy: 0.9417226034457168
Energy: 0.8761555922362407
Energy: 0.9853045554336524
Energy: 0.8343036495561995
Energy: 0.9853045554336524
Energy: 0.8853308844576151
Energy: 0.9692966168788026
Energy: 0.88933703829633
Energy: 0.9692966168788026
Energy: 0.8769063106662797
Energy: 0.9677910706309042
Energy: 0.8475460621526428
Energy: 0.9677910706309042
Energy: 0.8713154254003382
Energy: 0.9807080928786899
Energy: 0.8709663943548336
Energy: 0.9807080928786899
Energy: 0.8817737163145483
Energy: 0.980737508234737
Energy: 0.8712563344816384
Energy: 0.980737508234737
Energy: 0.8717903986987989
Energy: 0.9714851060432123
Energy: 0.8111914542915714
Energy: 0.9714851060432123
Energy: 0.8871210164453527
Energy: 0.9314127951388809
Energy: 0.8876828695789158
Energy: 0.9314127951396338
Energy: 0.7715528556348391
Energy: 0.9832986920852462
Energy: 0.8364050282004993
Energy: 0.9832986920852462
Energy: 0.9017866274155311
Energy: 1.2975998984322112
Energy: 0.8677467554560878
Energy: 1.2975998984322112
Energy: 0.8218686587214363
Energy: 0.9715571728809742
Energy: 0.7893635389717893
Energy: 0.9715571728809742
Energy: 0.8662984826380867
Energy: 1.0813544839361708
Energy: 0.8759378598339129
Energy: 1.0813544839361708
Energy: 0.8489863070766092
Energy: 0.9817531949664108
Energy: 0.8152037673092157
Energy: 0.9817531949656579
Energy: 0.8555628334712851
Energy: 0.9717804266935091
Energy: 0.8268724210617621
Energy: 0.9717804266935091
Energy: 0.8276739014384246
Energy: 1.1169243986712265
Energy: 0.8895846037218905
Energy: 1.1169243986704736
Energy: 0.8651295177949837
Energy: 0.9850170940842482
Energy: 0.8136093766798157
Energy: 0.9850170940842482
Energy: 0.8689857010561559
Energy: 1.1173751247262762
Energy: 0.8661205726298804
Energy: 1.1173751247262762
Energy: 0.807589108811925
Energy: 0.9688938418327092
Energy: 0.8723259285341133
Energy: 0.9688938418327092
Energy: 0.8854554753353674
Energy: 0.9871981588987515
Energy: 0.8758089772578795
Energy: 0.9871981588987515
Energy: 0.8854906319990586
Energy: 0.980153762867505
Energy: 0.8205595594961084
Energy: 0.980153762867505
Energy: 0.8786174107630222
Energy: 0.9669943960746297
Energy: 0.8852332491769905
Energy: 0.9669943960746297
Energy: 0.8503953642713095
Energy: 0.9696871355053825
Energy: 0.8768171048661154
Energy: 0.9696871355053825
Energy: 0.8637108171599887
Energy: 0.9852870588944206
Energy: 0.8686877966429094
Energy: 0.9852870588944206

minimum gb energy = 0.7545764707662308 eV
minimum distance =  2.30548341094158 Angstroms
sigma value = 1


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

Energy: 0.9617331563706477
Energy: 1.0429838024933893
Energy: 0.8746310549553387
Energy: 1.0429838024933893
Energy: 0.9259131334540045
Energy: 0.9987665022585194
Energy: 0.917005488409962
Energy: 0.9987665022585194
Energy: 0.8506762578632231
Energy: 1.041929557803244
Energy: 0.9068408785579358
Energy: 1.041929557803244
Energy: 0.8928028695585087
Energy: 0.9610077630031323
Energy: 0.8691007428462818
Energy: 0.9610077630031323
Energy: 0.8931432450640404
Energy: 1.0197545016102998
Energy: 0.9063827484818351
Energy: 1.0197545016102998
Energy: 0.942980923099499
Energy: 1.019064070395987
Energy: 0.8769756333356782
Energy: 1.019064070395987
Energy: 0.9127715216986175
Energy: 0.9036548774532309
Energy: 0.917866842845655
Energy: 0.9036548774532309
Energy: 0.7889568513835397
Energy: 1.0424228621594975
Energy: 0.8329974053560624
Energy: 1.0424228621594975
Energy: 0.9053598464190283
Energy: 1.3953472686165505
Energy: 0.9171611914934551
Energy: 1.3953472686165505
Energy: 0.8782177795606169
Energy: 1.0426513773107797
Energy: 0.8746939253366156
Energy: 1.0426513773107797
Energy: 0.9125819489791902
Energy: 0.9744749805402343
Energy: 0.922626317328448
Energy: 0.9744749805410927
Energy: 0.8489192194587635
Energy: 1.0313057154894072
Energy: 0.9165811304684407
Energy: 1.0313057154894072
Energy: 0.9339718535105336
Energy: 1.0212917626371663
Energy: 0.8946773741339336
Energy: 1.0212917626371663
Energy: 0.9338863047718085
Energy: 1.0212485325411929
Energy: 0.8928996154630411
Energy: 1.0212485325411929
Energy: 0.848698981316031
Energy: 1.031299243655922
Energy: 0.905597391331372
Energy: 1.031299243655922
Energy: 0.9125865080094301
Energy: 0.9745256277742791
Energy: 0.9180306524177861
Energy: 0.9745256277742791
Energy: 0.8780942265351424
Energy: 1.0425352895791098
Energy: 0.8115456436574032
Energy: 1.0425352895791098
Energy: 0.9056810558673365
Energy: 1.3953517464814125
Energy: 0.9198780051805288
Energy: 1.3953517464814125
Energy: 0.7889532166650951
Energy: 1.0424646772214936
Energy: 0.8513882373489018
Energy: 1.0424646772214936
Energy: 0.9128666659161053
Energy: 0.9035224744282254
Energy: 0.8686048607132719
Energy: 0.9035224744282254
Energy: 0.9599617831882895
Energy: 1.0190294437805223
Energy: 0.8957173122912588
Energy: 1.0190294437805223
Energy: 0.8929177271885649
Energy: 1.0201268888982227
Energy: 0.9051191526058946
Energy: 1.0201268888982227
Energy: 0.8929334755280933
Energy: 0.9610148323297882
Energy: 0.9179845871073349
Energy: 0.9610148323297882
Energy: 0.8507067584434294
Energy: 1.042146333552741
Energy: 0.9058255973353383
Energy: 1.042146333552741
Energy: 0.9258487321047659
Energy: 0.9987970778185008
Energy: 0.9169562280859308
Energy: 0.9987970778185008
Energy: 0.9617331563706477
Energy: 1.0429838024933893
Energy: 0.9172286679919327
Energy: 1.0429838024933893
Energy: 0.9259131334540045
Energy: 0.9987665022585194
Energy: 0.917005488409962
Energy: 0.9987665022585194
Energy: 0.8506762578632231
Energy: 1.0419295578041026
Energy: 0.918261363328263
Energy: 1.041929557803244
Energy: 0.8928028695585087
Energy: 0.9610077630031323
Energy: 0.8628687194457391
Energy: 0.9610077630031323

minimum gb energy = 0.7889532166650951 eV
minimum distance =  2.2891073580023 Angstroms
sigma value = 25


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

Energy: 0.9682274437185864
Energy: 1.0960059049654711
Energy: 0.9268690743323409
Energy: 1.0960059049654711
Energy: 0.8990382940097136
Energy: 1.0274508854129953
Energy: 0.9365584996723535
Energy: 1.0274508854129953
Energy: 0.9027209360562135
Energy: 1.1247483355284356
Energy: 0.9369946459163412
Energy: 1.1247483355284356
Energy: 0.9265643277515045
Energy: 1.0441418779313605
Energy: 0.9100777520272785
Energy: 1.0441418779313605
Energy: 0.9100884266224247
Energy: 1.0960962504977692
Energy: 0.8720213177009577
Energy: 1.0960962504977692
Energy: 1.0140261952924654
Energy: 1.1207796041390006
Energy: 0.8989199903253671
Energy: 1.1207796041390006
Energy: 0.9801351594405938
Energy: 0.9439355983692461
Energy: 0.936856845118197
Energy: 0.9439355983692461
Energy: 0.9773639727816456
Energy: 1.1002911980534142
Energy: 0.8498952886055007
Energy: 1.1002911980534142
Energy: 0.9365442523113777
Energy: 1.02790013838571
Energy: 0.9548546928513688
Energy: 1.02790013838571
Energy: 0.9384526998716053
Energy: 1.1206127951044715
Energy: 0.8841969534648093
Energy: 1.1206127951044715
Energy: 0.9691250968597958
Energy: 1.095987861108881
Energy: 0.9385086916028957
Energy: 1.095987861108881
Energy: 0.9096777040445011
Energy: 1.0964237768290837
Energy: 0.937906420465735
Energy: 1.0964237768290837
Energy: 0.936808896627385
Energy: 1.0406962164234612
Energy: 0.8995841114147992
Energy: 1.0406962164234612
Energy: 0.9363508263037925
Energy: 0.9383551684192433
Energy: 0.9777073406728409
Energy: 0.9383551684192433
Energy: 0.8575249099221887
Energy: 1.097316929713714
Energy: 0.8481155884585222
Energy: 1.097316929713714
Energy: 0.9367275122806237
Energy: 1.2590338433449402
Energy: 0.8989438057261273
Energy: 1.2590338433439423
Energy: 0.8269067876560954
Energy: 1.1232007586652983
Energy: 0.8265440533340456
Energy: 1.1232007586652983
Energy: 0.9097030003870309
Energy: 1.0479173205428343
Energy: 0.8849226210407887
Energy: 1.0479173205428343
Energy: 0.9244385524243579
Energy: 1.0418053772939861
Energy: 0.9103967266424317
Energy: 1.0418053772939861
Energy: 0.8996212995001432
Energy: 1.120743843516766
Energy: 0.9381207954644878
Energy: 1.120743843516766
Energy: 0.9628520675693006
Energy: 1.0231929229879326
Energy: 0.9562940305706088
Energy: 1.0231929229879326
Energy: 0.9621608506647591
Energy: 1.097410694393811
Energy: 0.9335809464862955
Energy: 1.097410694393811
Energy: 0.9921143898989896
Energy: 1.0352456256768048
Energy: 0.9534369679795394
Energy: 1.0352456256768048
Energy: 0.9018707349594681
Energy: 1.12564184119138
Energy: 0.9387414380609224
Energy: 1.12564184119138
Energy: 0.9532539203552011
Energy: 0.9620389062772388
Energy: 0.8986248187844709
Energy: 0.9620389062772388

minimum gb energy = 0.8265440533340456 eV
minimum distance =  2.29676009538791 Angstroms
sigma value = 9


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

Energy: 1.0274255924083506
Energy: 1.026426097803647
Energy: 0.9852650714442951
Energy: 1.026426097803647
Energy: 0.9804983470707627
Energy: 1.088786093565973
Energy: 1.0119283199506188
Energy: 1.088786093565973
Energy: 0.8780626373068836
Energy: 1.0269930235145497
Energy: 0.9454854507275182
Energy: 1.0269930235145497
Energy: 1.0213093888322444
Energy: 1.113565849865595
Energy: 0.9079644373487262
Energy: 1.113565849865595
Energy: 1.1131134443612685
Energy: 1.087830885134317
Energy: 0.9457051948999208
Energy: 1.087830885134317
Energy: 0.8668270137051577
Energy: 1.0151414969581867
Energy: 0.9085289380684343
Energy: 1.0151414969581867
Energy: 1.0207119208854807
Energy: 0.8988798450993268
Energy: 0.9090865906006065
Energy: 0.8988798450993268
Energy: 0.9850252101856116
Energy: 1.0156413719645085
Energy: 0.8996205399904791
Energy: 1.0156413719645085
Energy: 1.0257463638561144
Energy: 1.08854775721595
Energy: 1.0304761452011972
Energy: 1.08854775721595
Energy: 1.0150189389397193
Energy: 1.0160026875659498
Energy: 0.90828487766909
Energy: 1.0160026875659498
Energy: 0.9530949903948489
Energy: 1.0909449608830022
Energy: 0.94527653932057
Energy: 1.0909449608830022
Energy: 1.0207332452913664
Energy: 1.0456760185976697
Energy: 0.9086520744003455
Energy: 1.0456760185976697
Energy: 0.8667316136102505
Energy: 1.0143409124639333
Energy: 0.9105223845515719
Energy: 1.0143409124639333
Energy: 1.0613573126648215
Energy: 1.0156553610266674
Energy: 1.0030799144937723
Energy: 1.0156553610266674
Energy: 0.8667424059469359
Energy: 1.0164017878989309
Energy: 0.9852104561800485
Energy: 1.0164017878989309
Energy: 1.021063401992279
Energy: 1.0460457991664036
Energy: 0.9082783562256326
Energy: 1.0460457991509282
Energy: 0.9517038732005898
Energy: 1.0908551446461545
Energy: 0.9456096259755841
Energy: 1.0908551446461545
Energy: 1.0151160262830607
Energy: 1.0158570399389117
Energy: 0.9082539210790374
Energy: 1.0158570399389117
Energy: 1.0258205160976732
Energy: 1.0886669442643433
Energy: 0.9971821414231629
Energy: 1.0886669442643433
Energy: 0.9850346956056127
Energy: 1.015182259902065
Energy: 0.8996225786755011
Energy: 1.0151822599032554
Energy: 1.0207796224116075
Energy: 0.8986405282875084
Energy: 0.9090310169207811
Energy: 0.8986405282875084

minimum gb energy = 0.8667316136102505 eV
minimum distance =  2.39136004362625 Angstroms
sigma value = 25


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

Energy: 0.9418315848697246
Energy: 1.096883678714142
Energy: 1.053622676315616
Energy: 1.096883678714142
Energy: 0.9227770695875037
Energy: 1.0868069192283523
Energy: 0.9060734183956671
Energy: 1.0868069192298244
Energy: 0.9064359753537643
Energy: 1.1639506901963401
Energy: 0.9056375025917556
Energy: 1.1639506901963401
Energy: 0.9408425928924997
Energy: 1.1073024482962306
Energy: 1.0469637140499004
Energy: 1.1073024482859588
Energy: 1.0489978152822326
Energy: 0.9223062975219048
Energy: 0.9504561726349748
Energy: 0.9223062975219048
Energy: 0.9097387682599547
Energy: 1.1641163891652948
Energy: 0.9072048686339729
Energy: 1.1641163891652948
Energy: 1.0032858317409932
Energy: 1.1055377818257452
Energy: 0.9063299437722409
Energy: 1.1055377818257452
Energy: 1.1294791945705827
Energy: 1.0536708258653866
Energy: 0.9405898698537793
Energy: 1.0536708258639143
Energy: 0.90570287997473
Energy: 1.1056008498682446
Energy: 0.9235419003597171
Energy: 1.1056008498667724
Energy: 1.1359593270188957
Energy: 1.0875242373848164
Energy: 0.9065426195519224
Energy: 1.0875242373833442
Energy: 0.9067132297783103
Energy: 1.0998370227004395
Energy: 1.1804055981843256
Energy: 1.099837022704856
Energy: 0.9061805910450791
Energy: 1.407470284397458
Energy: 1.137110308180292
Energy: 1.407470284397458
Energy: 1.053706193367919
Energy: 1.1639636705120198
Energy: 0.9058156816004519
Energy: 1.1639636705120198
Energy: 0.9057459810787493
Energy: 0.9829471998431155
Energy: 0.9410777389540732
Energy: 0.9829471998431155
Energy: 1.002675273335159
Energy: 0.982776053339905
Energy: 0.9193740670391931
Energy: 0.982776053339905
Energy: 0.9949834964571147
Energy: 1.0874208997676276
Energy: 0.9099075438016245
Energy: 1.0874208997676276
Energy: 0.906166216946099
Energy: 1.0047552640709965
Energy: 1.1358113041534375
Energy: 1.0047552640709965

minimum gb energy = 0.9056375025917556 eV
minimum distance =  2.39434591302237 Angstroms
sigma value = 17


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

Energy: 1.0617136635385813
Energy: 1.0629873286020042
Energy: 1.1999363315397755
Energy: 1.0629873286020042
Energy: 1.0902598731603375
Energy: 1.056032744285167
Energy: 0.996628864852264
Energy: 1.056032744285167
Energy: 1.0670560460011278
Energy: 1.1239279863090264
Energy: 0.9400614167819641
Energy: 1.123927986310694
Energy: 0.9421098922604572
Energy: 1.1324791575241957
Energy: 1.0524639349414497
Energy: 1.1324791575250293
Energy: 1.0959746076246157
Energy: 1.0640504968382387
Energy: 0.9891690482246666
Energy: 1.0640504968382387
Energy: 0.9550462272811125
Energy: 1.0505564092727715
Energy: 1.0627548167047967
Energy: 1.0505564092727715
Energy: 0.9444955473154494
Energy: 1.0553938170457704
Energy: 0.9431449874696742
Energy: 1.0553938170457704
Energy: 1.0397918399819706
Energy: 1.0516264542552285
Energy: 0.9527999848115407
Energy: 1.05162645427937
Energy: 0.9575952600239361
Energy: 1.1070232824168864
Energy: 1.124274586653803
Energy: 1.1070232824168864
Energy: 1.2018451047668706
Energy: 1.0272756130342287
Energy: 0.940381761208741
Energy: 1.0272756128708853
Energy: 0.9448373481451698
Energy: 1.053155864395326
Energy: 1.070174010033225
Energy: 1.0531558643944925
Energy: 0.9548815023396422
Energy: 1.0626313856191587
Energy: 0.9543420530852371
Energy: 1.0626313856191587
Energy: 1.0855891737625891
Energy: 1.0540520915161722
Energy: 1.0556002506050908
Energy: 1.0540520915161722
Energy: 0.9402558451347006
Energy: 1.1197893127343292
Energy: 1.0772943838969364
Energy: 1.1197893127343292
Energy: 1.0323625096637954
Energy: 1.056295100333815
Energy: 0.9544784581311387
Energy: 1.056295100333815
Energy: 1.0719744967165965
Energy: 1.0499876666556545
Energy: 1.0398588136672569
Energy: 1.0499876666589896
Energy: 0.9435505369282181
Energy: 1.1027003233116601
Energy: 1.2003131601451504
Energy: 1.1027003233116601
Energy: 1.041978807088585
Energy: 1.0438120466625957
Energy: 0.9550026659855053
Energy: 1.0438120466625957
Energy: 1.0009109616794487
Energy: 1.11272303136347
Energy: 1.052530012818114
Energy: 1.11272303136347
Energy: 1.0394123633986692
Energy: 1.1331353759197826
Energy: 0.9418504173076481
Energy: 1.1331353759189489
Energy: 0.9911171041723923
Energy: 1.0539232388956985
Energy: 1.0841192478772521
Energy: 1.0539232388956985
Energy: 0.9977976200785411
Energy: 1.1216367913060594
Energy: 1.0990549305360007
Energy: 1.1216367913043919
Energy: 1.1126302842602795
Energy: 1.0535170120219608
Energy: 0.9401984159423289
Energy: 1.0535170120219608
Energy: 1.0509865518043249
Energy: 1.108605009333378
Energy: 1.0676723571610534
Energy: 1.108605009333378
Energy: 1.050859798690101
Energy: 1.123523410546875
Energy: 1.0861751971550218
Energy: 1.123523410546875
Energy: 1.1547510699959396
Energy: 1.0527897105997517
Energy: 0.941258402117283
Energy: 1.0527897106005855
Energy: 0.9977545555519335
Energy: 1.0918880076910118
Energy: 1.2280445025805051
Energy: 1.0918880076910118
Energy: 1.063076670279312
Energy: 1.0499839308040295
Energy: 1.067754838984884
Energy: 1.0499839308040295
Energy: 1.1577416369960798
Energy: 1.1409006806296453
Energy: 0.9445957723999633
Energy: 1.1409006806296453
Energy: 0.9529808472514067
Energy: 1.1072225655028411
Energy: 1.0418817380566006
Energy: 1.1072225655028411

minimum gb energy = 0.9400614167819641 eV
minimum distance =  2.28782188478315 Angstroms
sigma value = 53


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

Energy: 0.9187156134818205
Energy: 0.9183717686455175
Energy: 1.067160425240539
Energy: 0.9183717686455175
Energy: 1.1089922537741899
Energy: 1.0090008112788909
Energy: 1.055311048363611
Energy: 1.0090008112788909
Energy: 0.9194645228446088
Energy: 0.9188525765297616
Energy: 1.1036420696064873
Energy: 0.9188525765297616
Energy: 0.9195723914261688
Energy: 0.9190665447138743
Energy: 0.9489280377421344
Energy: 0.9190665447138743
Energy: 1.1089444789609535
Energy: 1.0089895243553257
Energy: 1.0711612313893288
Energy: 1.0089895243553257
Energy: 0.9187156134818205
Energy: 0.9183717686455175
Energy: 1.1511955857290015
Energy: 0.9183717686455175
Energy: 1.1089922537741899
Energy: 1.0090008112788909
Energy: 1.0831160068554004
Energy: 1.0090008112788909
Energy: 0.9194645228446088
Energy: 0.9188525765297616
Energy: 1.1036420695220732
Energy: 0.9188525765297616
Energy: 0.9195723914261688
Energy: 0.9190665447138743
Energy: 0.9919625507996931
Energy: 0.9190665447138743
Energy: 1.1089444789609535
Energy: 1.0089895243553257
Energy: 1.1045951337468525
Energy: 1.0089895243553257
Energy: 0.9187156134818205
Energy: 0.9183717686455175
Energy: 1.257402380060269
Energy: 0.9183717686455175
Energy: 1.1089922537741899
Energy: 1.0090008112788909
Energy: 1.0831160068554004
Energy: 1.0090008112788909
Energy: 0.9194645228446088
Energy: 0.9188525765297616
Energy: 1.1036420695182345
Energy: 0.9188525765297616

minimum gb energy = 0.9183717686455175 eV
minimum distance =  2.38067633665007 Angstroms
sigma value = 9


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

Energy: 1.0058216080630402
Energy: 1.1447304191367504
Energy: 1.3155632375166
Energy: 1.1447304191367504
Energy: 1.1090022767238732
Energy: 1.0531139490757098
Energy: 1.0035868698318338
Energy: 1.0531139490757098
Energy: 0.9848940155856185
Energy: 1.1876179184378202
Energy: 0.9902883325687893
Energy: 1.1876179184385307
Energy: 1.1030589562757545
Energy: 1.1945658470662062
Energy: 1.0039896497738994
Energy: 1.1945658470662062
Energy: 1.1073937956213697
Energy: 1.0567109263059697
Energy: 0.9981131406389235
Energy: 1.0567109263059697
Energy: 0.9957474631348385
Energy: 0.9957953110181245
Energy: 1.090556717358743
Energy: 0.9957953110181245
Energy: 1.270426546804753
Energy: 1.0534419926442504
Energy: 1.004392903181075
Energy: 1.05344199264354
Energy: 0.9926009992344357
Energy: 1.195070705064044
Energy: 1.1285219930735635
Energy: 1.195070705064044
Energy: 0.9877100434005598
Energy: 1.2024779540178119
Energy: 1.0029518199530318
Energy: 1.202477954019943
Energy: 0.986408403341278
Energy: 1.0487475490285971
Energy: 1.0054183222422863
Energy: 1.0487475490285971
Energy: 0.9943510002505186
Energy: 1.2394886497314395
Energy: 1.2776533422373146
Energy: 1.2394886497314395
Energy: 1.1445513849393452
Energy: 1.2901467454886282
Energy: 0.9900936269790247
Energy: 1.2901467454900493
Energy: 0.9880433467278125
Energy: 1.073930184951022
Energy: 1.1883387222762014
Energy: 1.073930184951022
Energy: 1.1056710891586414
Energy: 1.2399170772246606
Energy: 1.0116698617327489
Energy: 1.2399170772246606
Energy: 0.9939875890619034
Energy: 1.1245695014006962
Energy: 1.1053490959622971
Energy: 1.1245695014006962
Energy: 0.9900193332358088
Energy: 1.2014616969675944
Energy: 1.0858429033537766
Energy: 1.2014616969675944
Energy: 1.0703472962418534
Energy: 1.1246236902115918
Energy: 0.9941601906026071
Energy: 1.1246236902115918
Energy: 0.9971121603827066
Energy: 1.053638288806612
Energy: 1.1435054861322633
Energy: 1.053638288806612
Energy: 1.1358480858529547
Energy: 1.173430431069213
Energy: 0.9980207231013718
Energy: 1.1734304310685026
Energy: 1.013670718736562
Energy: 1.0596037824492566
Energy: 1.0867921082074248
Energy: 1.0596037824492566
Energy: 1.091934418353805
Energy: 1.194106514137146
Energy: 1.0863499356592843
Energy: 1.1941065141364355
Energy: 1.068025100510634
Energy: 1.1085443511075668
Energy: 0.9862030981920547
Energy: 1.1085443511075668
Energy: 1.0025909545093323
Energy: 1.1291836861501612
Energy: 0.9874844586220649
Energy: 1.1291836861501612
Energy: 1.2833280037749968
Energy: 1.1426760485718808
Energy: 0.9920151703573932
Energy: 1.14267604857046
Energy: 1.0040254667193154
Energy: 1.299023873632999
Energy: 1.2337492342743435
Energy: 1.299023873633677
Energy: 1.0265703151735952
Energy: 0.9985953590548879
Energy: 0.9858407228305416
Energy: 0.9985953590548879
Energy: 1.0586081586774865
Energy: 1.1294298571934953
Energy: 1.1018342255702867
Energy: 1.1294298571934953
Energy: 1.0040095720710736
Energy: 1.1939498245880868
Energy: 1.1023457309480422
Energy: 1.1939498245880868
Energy: 1.0326838606904203
Energy: 0.9955841087504687
Energy: 0.9848979151891122
Energy: 0.9955841087497582
Energy: 1.0034572862589137
Energy: 1.3001908701112448
Energy: 1.1898646538698774
Energy: 1.3001908701112448
Energy: 1.2384219327076347
Energy: 1.1410525344256301
Energy: 0.9912165809883158
Energy: 1.141052534433445
Energy: 0.9952141265999177
Energy: 1.0567477335125501
Energy: 0.9856218106674803
Energy: 1.0567477335125501
Energy: 1.0245664218710768
Energy: 1.109150617637272
Energy: 0.9851751955724337
Energy: 1.109150617637272
Energy: 1.0922597988772067
Energy: 1.1950050373350645
Energy: 1.0849542092757654
Energy: 1.1950050373350645
Energy: 0.9977877878406558
Energy: 1.1530289622978696
Energy: 1.2709459796930158
Energy: 1.1530289622978696

minimum gb energy = 0.9848940155856185 eV
minimum distance =  2.29078385041663 Angstroms
sigma value = 73


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

Energy: 1.0036026384254004
Energy: 1.002635996150189
Energy: 1.2378648846087645
Energy: 1.002635996150189
Energy: 1.01517001530516
Energy: 1.1009225716757567
Energy: 1.0141206954404725
Energy: 1.1009225716757567
Energy: 1.0000403815133472
Energy: 1.2161976040025442
Energy: 0.9934952803651301
Energy: 1.2161976040025442
Energy: 0.9862773697044399
Energy: 1.099590216148475
Energy: 1.0143397561081533
Energy: 1.099590216148475
Energy: 0.984874678729781
Energy: 1.0862096361986076
Energy: 1.0061673803053026
Energy: 1.0862096361986076
Energy: 1.0014732344948711
Energy: 1.2178965947950586
Energy: 1.2184027931964736
Energy: 1.2178965947950586
Energy: 1.3158146585689474
Energy: 1.2086913976598184
Energy: 1.0155130696462253
Energy: 1.2086913976598184
Energy: 0.9861015994546357
Energy: 1.0023854272780712
Energy: 1.2864423669086453
Energy: 1.0023854272780712
Energy: 1.2639827046171708
Energy: 1.0036526396143963
Energy: 1.0023532702070501
Energy: 1.0036526396143963
Energy: 1.0135370135695334
Energy: 1.0748965319096477
Energy: 1.0150330115705302
Energy: 1.0748965319096477
Energy: 0.9840230258397907
Energy: 1.2154306684871332
Energy: 1.2763534476360432
Energy: 1.2154306684871332
Energy: 1.1176812478418294
Energy: 1.0944326326693794
Energy: 0.9859637707356358
Energy: 1.0944326326693794
Energy: 0.9984819788589382
Energy: 1.0837544818817182
Energy: 1.0958730736455577
Energy: 1.0837544818805909
Energy: 1.2782653791926668
Energy: 1.0847075087636338
Energy: 1.001372594332136
Energy: 1.0847075087636338
Energy: 0.9942917805092464
Energy: 1.2262824872260238
Energy: 1.1165152004229564
Energy: 1.2262824872260238
Energy: 1.2782640565644232
Energy: 1.2160969189491475
Energy: 0.9862052781948722
Energy: 1.2160969189491475
Energy: 1.0142543751573037
Energy: 1.209928055527084
Energy: 1.0001391878855352
Energy: 1.209928055527084
Energy: 1.0026154087694046
Energy: 1.0055585578803659
Energy: 1.0004525289109645
Energy: 1.0055585578803659
Energy: 1.004488326162587
Energy: 1.2010803926747338
Energy: 0.9838834532580729
Energy: 1.2010803926758609
Energy: 1.0139160979536754
Energy: 1.2273857422263252
Energy: 1.2563779812501148
Energy: 1.2273857421508567
Energy: 1.2398776550819741
Energy: 1.2164561806894083
Energy: 1.0001464835435605
Energy: 1.2164561806894083
Energy: 1.0141899967460317
Energy: 1.0844557842366804
Energy: 1.0969922868348494
Energy: 1.0844557842366804

minimum gb energy = 0.9838834532580729 eV
minimum distance =  2.32740398591364 Angstroms
sigma value = 7


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

Energy: 1.029323587980937
Energy: 1.0285236315482758
Energy: 1.3467818360362815
Energy: 1.0285236315482758
Energy: 1.2165722434920654
Energy: 1.0770413741906646
Energy: 1.0127580247999033
Energy: 1.0770413741898675
Energy: 0.9963048289003618
Energy: 1.179196299033656
Energy: 1.029079193853608
Energy: 1.179196299033656
Energy: 1.0209868838962026
Energy: 1.1001298489213556
Energy: 1.0331907730323298
Energy: 1.1001298489213556
Energy: 0.9969532469873015
Energy: 1.0772814095195888
Energy: 1.023248493112547
Energy: 1.0772814095195888
Energy: 0.999871334906
Energy: 1.0321448416108494
Energy: 1.2454707897175563
Energy: 1.0321448416084582
Energy: 1.1331385819244395
Energy: 1.3642822381680917
Energy: 1.023595076765351
Energy: 1.3642822381680917
Energy: 0.9996614457037029
Energy: 1.0298039896417557
Energy: 1.31836135581355
Energy: 1.0298039896417557
Energy: 1.112792097068691
Energy: 1.0910303638602579
Energy: 1.0098818691661948
Energy: 1.0910303638602579
Energy: 1.0061936823992284
Energy: 1.1009240332350452
Energy: 1.1093732270095464
Energy: 1.1009240332350452
Energy: 1.0259729543936271
Energy: 1.1817364499239653
Energy: 1.0262239108365472
Energy: 1.1817364499239653
Energy: 1.0290248254059307
Energy: 1.0778571874467329
Energy: 1.0236580827937192
Energy: 1.0778571874467329
Energy: 1.0377685604674898
Energy: 1.030364301444432
Energy: 1.0264754094248905
Energy: 1.030364301444432
Energy: 1.0246450137144092
Energy: 1.024218764019265
Energy: 1.0230258728038537
Energy: 1.024218764020062
Energy: 1.0041123411006343
Energy: 1.1787330433935237
Energy: 1.2319026458104592
Energy: 1.1787330433943208
Energy: 1.3303309410207023
Energy: 1.0232330893708514
Energy: 1.0060583240801757
Energy: 1.0232330893708514
Energy: 1.0241244034070967
Energy: 1.0929779597462694
Energy: 1.050866466186727
Energy: 1.0929779597462694
Energy: 1.0124392464609182
Energy: 1.1622744691440483
Energy: 1.0233848674487647
Energy: 1.1622744691440483
Energy: 1.0038887132093488
Energy: 1.181985090565289
Energy: 1.0258104681277647
Energy: 1.181985090565289
Energy: 1.0059052925770626
Energy: 1.0773617563981637
Energy: 1.024392978311788
Energy: 1.0773617563981637
Energy: 1.026161018758332
Energy: 1.1822843916698043
Energy: 1.009015903205361
Energy: 1.1822843916698043
Energy: 0.9994933634917731
Energy: 1.1799192427861989
Energy: 1.2160870641264458
Energy: 1.1799192427861989
Energy: 1.2224052743748053
Energy: 1.1177301934036976
Energy: 1.0187077283943933
Energy: 1.1177301934036976
Energy: 1.033483439829386
Energy: 1.02943690745008
Energy: 1.2045724321345233
Energy: 1.02943690745008
Energy: 1.0425086791238298
Energy: 1.0780788830533827
Energy: 1.0349523269397805
Energy: 1.0780788830533827
Energy: 1.0213152666808973
Energy: 1.1790704455976289
Energy: 1.0314256282060388
Energy: 1.1790704455976289
Energy: 0.9969091500474814
Energy: 1.1047665723557918
Energy: 1.0229692952514209
Energy: 1.1047665723557918
Energy: 1.0206044938321452
Energy: 1.0978714843635706
Energy: 1.0334424641199145
Energy: 1.0978714843635706
Energy: 0.9962564121295917
Energy: 1.0294104303464982
Energy: 1.1076668436518944
Energy: 1.0294104303464982
Energy: 1.2415093581247523
Energy: 1.0244532586021908
Energy: 1.0128318865792434
Energy: 1.0244532586021908
Energy: 0.9962710521236012
Energy: 1.029268997987187
Energy: 1.2374046597165438
Energy: 1.029268997987187

minimum gb energy = 0.9962564121295917 eV
minimum distance =  2.31373181319106 Angstroms
sigma value = 29


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

Energy: 1.0110327283313312
Energy: 0.9965557855370325
Energy: 0.9821817194706154
Energy: 0.9965557855367703
Energy: 1.0128036100109228
Energy: 0.9808994404346173
Energy: 1.0191615193285255
Energy: 0.9808994036658935
Energy: 0.9908251781117109
Energy: 1.0667346347189384
Energy: 0.9801416537942877
Energy: 1.0667346347186608
Energy: 1.0105020926242492
Energy: 1.0501168510228853
Energy: 0.98181436298131
Energy: 1.0501168510101453
Energy: 1.0113875631618
Energy: 1.0494567298298332
Energy: 0.9906569928039478
Energy: 1.0494567298301105
Energy: 1.005463786683014
Energy: 1.0660190844232755
Energy: 1.0054329869054028
Energy: 1.0660190844235378
Energy: 0.9910347276139772
Energy: 1.04964900298713
Energy: 1.0112772491372615
Energy: 1.04964900298713
Energy: 1.0180852107896712
Energy: 1.0501321339770628
Energy: 1.010466717129138
Energy: 1.0501321339838492
Energy: 0.9796462523709725
Energy: 1.0668813693093666
Energy: 1.0052708344357657
Energy: 1.0668813693093666

minimum gb energy = 0.9796462523709725 eV
minimum distance =  2.36049840844631 Angstroms
sigma value = 5


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

Energy: 0.9894615408025825
Energy: 0.9789850027520013
Energy: 1.21879449763946
Energy: 0.9789850027504955
Energy: 1.0923863370043643
Energy: 0.9623440618729683
Energy: 0.946991534090481
Energy: 0.9623440618729683
Energy: 0.953840887896657
Energy: 0.9768012827466401
Energy: 1.1060148628053388
Energy: 0.9768012827466401
Energy: 0.9672987142047716
Energy: 1.034701055097009
Energy: 0.9694938158617127
Energy: 1.034701055098515
Energy: 0.9589377676163778
Energy: 1.0306970882521163
Energy: 1.1131200213544543
Energy: 1.0306970882521163
Energy: 0.9749607737206677
Energy: 0.9853037773808647
Energy: 0.9573902196318964
Energy: 0.9853037773808647
Energy: 0.9667892693743888
Energy: 1.0408642158355303
Energy: 0.9700912828690208
Energy: 1.0408642158355303
Energy: 0.96181065234592
Energy: 0.9841163133844928
Energy: 0.9515735773074752
Energy: 0.9841163133822342
Energy: 0.974086983651164
Energy: 1.1265932060662196
Energy: 0.9628684910505206
Energy: 1.1265932060662196
Energy: 0.972995009125409
Energy: 1.0348795053321245
Energy: 0.9666038614186572
Energy: 1.0348795053321245
Energy: 0.9473098332278722
Energy: 1.1234427445492332
Energy: 0.948993458688051
Energy: 1.1234427445484803
Energy: 0.9524175200341206
Energy: 0.986177336337483
Energy: 1.0583750201831454
Energy: 0.986177336337483
Energy: 0.9876063074606237
Energy: 0.9832299215767709
Energy: 0.9747569468368266
Energy: 0.9832299215767709
Energy: 0.9626121221082099
Energy: 0.9826587000982223
Energy: 1.1339085016906396
Energy: 0.9826587000982223
Energy: 1.216776172283017
Energy: 0.9559731725679066
Energy: 0.9486460590831587
Energy: 0.95597317254532
Energy: 0.9655564935557818
Energy: 0.9710353142333298
Energy: 1.104863029608687
Energy: 0.9710353142333298
Energy: 1.1114880531906106
Energy: 0.9590467879062423
Energy: 0.9599298694369768
Energy: 0.9590467879062423
Energy: 0.966092929341286
Energy: 0.9829578848943767
Energy: 1.0239037315095691
Energy: 0.9829578848943767
Energy: 0.971230753870731
Energy: 1.0423503296889642
Energy: 0.9604888702897544
Energy: 1.0423503296889642
Energy: 0.9497724964015564
Energy: 1.0595283062715661
Energy: 0.9905676180857885
Energy: 1.0595283062708132
Energy: 0.9493987341600575
Energy: 1.1243800788295657
Energy: 0.9730001708087874
Energy: 1.1243800788288127
Energy: 0.9667916710661931
Energy: 1.0281978697702587
Energy: 0.9748400441874949
Energy: 1.0281978697702587
Energy: 0.9530688903565074
Energy: 0.9845318482957215
Energy: 0.9500762656445286
Energy: 0.9845318482949685
Energy: 1.0673764340842526
Energy: 1.0313211609604802
Energy: 0.9498073773343669
Energy: 1.0313211609326234
Energy: 1.063462901059718
Energy: 1.123227512821407
Energy: 0.9538193820066828
Energy: 1.12322751282216
Energy: 0.9807682509932866
Energy: 0.9834926023515939
Energy: 0.9603965247573587
Energy: 0.9834926023515939
Energy: 0.9510540638737223
Energy: 0.9468433178907436
Energy: 1.0541401510199564
Energy: 0.9468433178907436
Energy: 0.9778955940362178
Energy: 0.9538491727885029
Energy: 0.9683978432820435
Energy: 0.9538491727719395
Energy: 0.9496122211705118
Energy: 0.9593531676877528
Energy: 1.1686238166458607
Energy: 0.9593531676885056
Energy: 1.1038702625391459
Energy: 0.9826361016502355
Energy: 0.9651795977370545
Energy: 0.9826361016502355
Energy: 0.9536068530611593
Energy: 0.9733113880785523
Energy: 1.0362674624375818
Energy: 0.9733113880785523
Energy: 1.109757204142089
Energy: 1.0008412639647926
Energy: 0.9520590123345748
Energy: 1.0008412639670514
Energy: 0.967012594851785
Energy: 0.9551851555163714
Energy: 0.9436830199039443
Energy: 0.9551851555163714

minimum gb energy = 0.9436830199039443 eV
minimum distance =  2.31588618513435 Angstroms
sigma value = 1


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

Energy: 0.940943685311933
Energy: 0.940150664911476
Energy: 0.9184753454247317
Energy: 0.940150664911476
Energy: 0.9404312418902806
Energy: 0.9166677767141986
Energy: 0.9131375760171274
Energy: 0.9166677767141986
Energy: 0.8915028433921452
Energy: 0.9401687554244352
Energy: 1.2544837188651303
Energy: 0.9401687554244352
Energy: 0.9161513672716094
Energy: 1.0096925705433466
Energy: 0.9151081952281755
Energy: 1.0096925705433466
Energy: 0.8978701338322762
Energy: 0.9396060001342493
Energy: 1.073340794552897
Energy: 0.9396060001342493
Energy: 0.8994191119626256
Energy: 1.0074201212769993
Energy: 0.9155422081367297
Energy: 1.0074201212769993
Energy: 0.8979674557630198
Energy: 1.0308874118023024
Energy: 0.9233081827889158
Energy: 1.0308874118023024
Energy: 0.896329868040667
Energy: 1.0078027928386446
Energy: 0.9347713074411031
Energy: 1.0078027928376037
Energy: 0.9419543054504184
Energy: 0.9429047852541752
Energy: 0.9228079636166684
Energy: 0.9429047852541752
Energy: 0.9404390336493252
Energy: 0.9428748897522251
Energy: 0.9346852069215918
Energy: 0.9428748897522251
Energy: 0.896467116439032
Energy: 1.0077387633368369
Energy: 0.9226738047823807
Energy: 1.0077387633368369
Energy: 0.8977213599727615
Energy: 1.0307877224905417
Energy: 0.9243108173656476
Energy: 1.0307877224905417
Energy: 0.9003920599686973
Energy: 1.0073876416317458
Energy: 0.9158843676593614
Energy: 1.0073876416275815
Energy: 0.9010115959583105
Energy: 0.939951460471569
Energy: 0.9405354944473063
Energy: 0.939951460471569
Energy: 0.9159327286290846
Energy: 1.0095309913064434
Energy: 0.9150936409727879
Energy: 1.0095309913064434
Energy: 0.8914856406431847
Energy: 0.9401951966404043
Energy: 1.1896454872458837
Energy: 0.9401951966404043
Energy: 0.9403596372433265
Energy: 0.9166680144056394
Energy: 0.9128641128650427
Energy: 0.9166680144056394
Energy: 0.9409436853108919
Energy: 0.940150664911476
Energy: 0.9184753454954715
Energy: 0.940150664911476
Energy: 0.9404312418902806
Energy: 0.9166677767141986
Energy: 0.9131375760171274
Energy: 0.9166677767141986
Energy: 0.8915028433921452
Energy: 0.9401687554244352
Energy: 1.2544837188661713
Energy: 0.9401687554244352
Energy: 0.9161513672726503
Energy: 1.0096925705433466
Energy: 0.9151081952281755
Energy: 1.0096925705433466
Energy: 0.8978701338322762
Energy: 0.9396060001342493
Energy: 1.073340794551856
Energy: 0.9396060001342493
Energy: 0.8994191119626256
Energy: 1.0074201212769993
Energy: 0.9155422081367297
Energy: 1.0074201212759581
Energy: 0.8979674557630198
Energy: 1.0308874118023024
Energy: 0.9233081827878749
Energy: 1.0308874118023024

minimum gb energy = 0.8914856406431847 eV
minimum distance =  2.33910961440911 Angstroms
sigma value = 17


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

Energy: 0.9258435604529277
Energy: 0.9249590690243633
Energy: 1.1543141195081015
Energy: 0.9249590690243633
Energy: 1.0291985015960121
Energy: 0.9187944481229748
Energy: 0.9041132264594767
Energy: 0.9187944481242616
Energy: 0.9062970056888353
Energy: 0.9161845107340949
Energy: 1.0943247059714039
Energy: 0.9161845107340949
Energy: 0.9307698661459066
Energy: 0.9005414032345982
Energy: 0.8975003839057859
Energy: 0.9005414032345982
Energy: 0.9012588277849163
Energy: 0.985183157218805
Energy: 1.1026342655495864
Energy: 0.9851831572194485
Energy: 0.8968313060625969
Energy: 0.9091475047095439
Energy: 0.9089651133093797
Energy: 0.9091475047114741
Energy: 0.9055465631034982
Energy: 0.9753836907416816
Energy: 0.9452693492994354
Energy: 0.9753836907416816
Energy: 0.8923863989961605
Energy: 1.1193359774984497
Energy: 0.8977321357120422
Energy: 1.1193359774984497
Energy: 0.9319926718652334
Energy: 0.9685134824751805
Energy: 0.9222741070265109
Energy: 0.9685134824751805
Energy: 0.93608848602804
Energy: 0.9673854286721721
Energy: 0.9080212114877729
Energy: 0.9673854286728156
Energy: 0.9052894938273212
Energy: 0.9523642328986324
Energy: 0.8973935091679075
Energy: 0.9523642328992759
Energy: 0.9080562719271362
Energy: 0.9702149037934396
Energy: 0.9019301984037846
Energy: 0.9702149037934396
Energy: 0.8952442909787484
Energy: 1.113860495719036
Energy: 0.9044901448369481
Energy: 1.1138604957183924
Energy: 0.8995014791965548
Energy: 0.9841271708993519
Energy: 0.9452598912220646
Energy: 0.9841271708993519
Energy: 0.894101359104714
Energy: 0.9051489574065407
Energy: 0.9328830932461122
Energy: 0.905148957407184
Energy: 0.9051803279123828
Energy: 0.9177288444815711
Energy: 1.12297880914403
Energy: 0.9177288444815711
Energy: 0.9391168568675481
Energy: 0.904630582506291
Energy: 0.9043426885260584
Energy: 0.904630582506291
Energy: 0.8962013274734044
Energy: 0.9253926163502394
Energy: 0.9041392363237706
Energy: 0.9253926163496252
Energy: 0.9286178449575563
Energy: 0.9754114479374596
Energy: 0.9041140718026586
Energy: 0.9754114479374596
Energy: 0.9118752948037304
Energy: 0.9168449034681259
Energy: 1.035345165559014
Energy: 0.9168449034681259
Energy: 1.0450585262556151
Energy: 0.910744981284851
Energy: 0.9007998757106199
Energy: 0.910744981284851
Energy: 0.900938076359417
Energy: 1.124075151236269
Energy: 1.0425348382487907
Energy: 1.1240751512356255
Energy: 1.0042635497544452
Energy: 0.9093761122162808
Energy: 0.9131558306077889
Energy: 0.9093761122201413
Energy: 0.9045008650629751
Energy: 0.9784530329552059
Energy: 1.0292676068139497
Energy: 0.9784530329552059
Energy: 0.9164872059104094
Energy: 0.9261439443976888
Energy: 0.8965029400500436
Energy: 0.9261439443976888
Energy: 0.9062491962390801
Energy: 0.9864099440898235
Energy: 0.9317832562818542
Energy: 0.9864099440898235
Energy: 1.0275060563688614
Energy: 0.9645344628530325
Energy: 0.9061572010119527
Energy: 0.9645344628530325
Energy: 0.9368871267195337
Energy: 1.1040194118199642
Energy: 0.8997919914194731
Energy: 1.1040194118199642
Energy: 0.941954767843546
Energy: 0.9840370810898811
Energy: 0.9004607404336451
Energy: 0.9840370810898811
Energy: 0.9060764149621819
Energy: 0.9617614003528021
Energy: 0.9303268368783695
Energy: 0.9617614003322129
Energy: 0.9019833758207296
Energy: 0.9838097149231969
Energy: 0.9135003466839563
Energy: 0.9838097149231969
Energy: 0.8932696082666142
Energy: 1.0994915875437823
Energy: 0.9022976547422134
Energy: 1.0994915875437823
Energy: 0.9079787509165949
Energy: 0.9686964548428608
Energy: 1.0485772414703054
Energy: 0.9686964548428608
Energy: 0.9314296059957382
Energy: 1.1191887718603044
Energy: 0.9128152030714135
Energy: 1.1191887718603044
Energy: 0.8962927612504931
Energy: 0.9267140738134576
Energy: 0.9212689259941911
Energy: 0.9267140738134576
Energy: 0.9473947650102201
Energy: 0.9773373542049959
Energy: 0.9047850606383889
Energy: 0.9773373542056394
Energy: 0.9129165326878769
Energy: 0.9085391685147163
Energy: 0.8856285415509596
Energy: 0.908539168525011
Energy: 0.9322660620044898
Energy: 0.9889631186759521
Energy: 0.9012339141886502
Energy: 0.9889631186759521

minimum gb energy = 0.8856285415509596 eV
minimum distance =  2.32765124548933 Angstroms
sigma value = 89


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

Energy: 0.8215958499608396
Energy: 0.8212856609956646
Energy: 1.1575100883280265
Energy: 0.8212856609956646
Energy: 0.8296691963507234
Energy: 0.8423450756908978
Energy: 0.8314401417591203
Energy: 0.8423450756908978
Energy: 0.8297659130656478
Energy: 0.9609869187177145
Energy: 1.1580413096696531
Energy: 0.9609869187177145
Energy: 0.8208820212024112
Energy: 0.8424030538550152
Energy: 0.8313802280312456
Energy: 0.8424030538550152
Energy: 0.8220568687856288
Energy: 0.9073161132967711
Energy: 0.82993604146207
Energy: 0.9073161132967711
Energy: 0.8419944655794385
Energy: 0.8228107905082422
Energy: 0.8261750025001634
Energy: 0.8228107905082422
Energy: 0.8299512006767727
Energy: 0.9611050873791344
Energy: 0.832898439714466
Energy: 0.9611050873791344
Energy: 0.8328711482909731
Energy: 1.164253113251702
Energy: 0.831410388078354
Energy: 1.164253113251702
Energy: 0.8222843698695039
Energy: 0.9097577074055928
Energy: 0.8214632949128373
Energy: 0.9097577074055928
Energy: 0.8430868213809285
Energy: 0.9060534417901284
Energy: 0.8242669145591485
Energy: 0.9060534416841253
Energy: 0.8210587263621805
Energy: 0.8432483061207989
Energy: 0.8320105533127434
Energy: 0.8432483061207989
Energy: 0.8209275509534056
Energy: 0.9614830878868521
Energy: 0.8316423985838143
Energy: 0.9614830878868521
Energy: 0.8221800384617248
Energy: 0.8248250695977565
Energy: 0.8353799478413997
Energy: 0.8248250695992678
Energy: 0.8243364451002413
Energy: 0.9078386998452505
Energy: 0.8246413211425682
Energy: 0.9078386998452505
Energy: 0.8210230286366692
Energy: 0.8249618636554482
Energy: 0.8221233355203534
Energy: 0.8249618636554482

minimum gb energy = 0.8208820212024112 eV
minimum distance =  2.35121296203943 Angstroms
sigma value = 13


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

Energy: 0.8058066579923008
Energy: 0.7841632045252299
Energy: 0.7821815326404379
Energy: 0.7841632045252299
Energy: 0.9166783609395839
Energy: 0.7991388599599296
Energy: 0.7774462231916287
Energy: 0.7991388599592238
Energy: 0.7846347818575238
Energy: 0.7832646478403903
Energy: 1.1960701070019044
Energy: 0.7832646478396846
Energy: 0.7870029953137674
Energy: 0.7991744985123544
Energy: 0.7766622665773111
Energy: 0.7991744985116488
Energy: 0.7887159801034668
Energy: 0.8460567305651181
Energy: 0.787660628584291
Energy: 0.8460567304029224
Energy: 0.9141005485436292
Energy: 0.8015105869543925
Energy: 0.7902917079113155
Energy: 0.8015105869543925
Energy: 0.7923791513816767
Energy: 0.8484680815254305
Energy: 1.0263113247827098
Energy: 0.8484680815282528
Energy: 0.7795970519546022
Energy: 0.7992330311560298
Energy: 0.7904601081869235
Energy: 0.7992330311560298
Energy: 0.7927443155751936
Energy: 0.8493179771967865
Energy: 0.9071191455886789
Energy: 0.8493179771974921
Energy: 0.9289140211989332
Energy: 0.9954119701014734
Energy: 0.7772667214147448
Energy: 0.9954119700407903
Energy: 0.7932301286522989
Energy: 0.862082472050692
Energy: 0.7792613717539371
Energy: 0.862082472050692
Energy: 1.0209830897294314
Energy: 0.9960004718739337
Energy: 0.7755013105142542
Energy: 0.9960004718802843
Energy: 0.81451284012301
Energy: 0.7932615136102724
Energy: 0.7779725551863274
Energy: 0.7932615136109781
Energy: 1.039702857680921
Energy: 0.9963783206237024
Energy: 0.7751611333551536
Energy: 0.9963783206237024
Energy: 0.7928873800928932
Energy: 0.7830662589301659
Energy: 0.7774113432513433
Energy: 0.7830662589294602
Energy: 0.8023364323468298
Energy: 0.9947300340056558
Energy: 0.7772954168419696
Energy: 0.9947300340056558
Energy: 0.7917104805433935
Energy: 0.782287227615498
Energy: 0.7784379748795737
Energy: 0.7822872276937894
Energy: 0.7924245230430483
Energy: 0.8474817438451944
Energy: 0.7989545115590866
Energy: 0.8474817438494281
Energy: 0.7926804820424134
Energy: 0.8468186487332914
Energy: 0.798990099371243
Energy: 0.8468186488059379
Energy: 0.792790082853621
Energy: 0.9804091185951277
Energy: 0.7988685090266517
Energy: 0.9804091185951277
Energy: 0.7917250500394919
Energy: 0.8471354983417323
Energy: 0.7989748644786143
Energy: 0.8471354983410266
Energy: 0.7926517156150752
Energy: 0.7826687090429626
Energy: 0.7782137404268166
Energy: 0.7826687090471642
Energy: 0.8029800465778546
Energy: 0.9956856314665394
Energy: 0.7774426912398441
Energy: 0.9956856314665394
Energy: 0.7925226666316562
Energy: 0.7832047929921715
Energy: 0.7777810805436713
Energy: 0.7832047929921715
Energy: 1.0391811669575461
Energy: 0.9950358028558213
Energy: 0.7756713458609589
Energy: 0.9950358028565269
Energy: 0.8146180213657093
Energy: 0.7933360446297529
Energy: 0.7771670538175719
Energy: 0.7933360445479334
Energy: 1.0208204073072176
Energy: 0.9956674892407744
Energy: 0.7753563820620378
Energy: 0.9956674892407744
Energy: 0.7929332301918394
Energy: 0.8620238287575276
Energy: 0.7766559303664359
Energy: 0.8620238287575276
Energy: 0.9290094537177592
Energy: 0.9962320599445147
Energy: 0.77724944489821
Energy: 0.9962320589493378
Energy: 0.793380479760655
Energy: 0.8490124189757987
Energy: 0.914343474077288
Energy: 0.8490124189757987
Energy: 0.7801060037660983
Energy: 0.7991235420402927
Energy: 0.7904579216322333
Energy: 0.799123542039587
Energy: 0.7925331170731346
Energy: 0.8483738740428628
Energy: 1.0275980517383732
Energy: 0.8483738740435686
Energy: 0.9149040640496956
Energy: 0.8007300731280014
Energy: 0.7902421266918511
Energy: 0.8007300783282086
Energy: 0.791620348947542
Energy: 0.8462047270716235
Energy: 1.0364761520858337
Energy: 0.846204725234292
Energy: 0.7857069463996406
Energy: 0.8027469111813273
Energy: 0.7768623198442852
Energy: 0.8027469111820329

minimum gb energy = 0.7751611333551536 eV
minimum distance =  2.36100927861751 Angstroms
sigma value = 37


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

Energy: 0.8704035637429346
Energy: 0.7575569576528696
Energy: 0.7207226247380925
Energy: 0.7575569576528696
Energy: 0.8652190063163748
Energy: 0.9853023585246071
Energy: 0.7147881530770012
Energy: 0.9853023585246071
Energy: 0.7328158941023358
Energy: 1.2402194463636973
Energy: 0.9949729056852757
Energy: 1.2402194463636973
Energy: 0.8121235241418258
Energy: 0.7363488579216005
Energy: 0.7191761846069066
Energy: 0.7363488579228146
Energy: 0.718088654296427
Energy: 0.9846065841948818
Energy: 0.7412161816749473
Energy: 0.9846065841948818
Energy: 0.7171063201833979
Energy: 0.986088948717792
Energy: 0.8343064558593302
Energy: 0.9860889487226477
Energy: 0.7167793354333426
Energy: 1.2612657627797952
Energy: 1.0297983310323113
Energy: 1.2612657627797952
Energy: 0.702543831517937
Energy: 0.7365398319094997
Energy: 0.7391864422959709
Energy: 0.7365398319094997
Energy: 0.7146175223956494
Energy: 0.9845634487456303
Energy: 0.9201961951084765
Energy: 0.9845634487456303
Energy: 0.9978917151699289
Energy: 0.9845442484443808
Energy: 0.834496999991928
Energy: 0.9845442484443808
Energy: 0.7304590795247482
Energy: 1.0385567441623773
Energy: 0.8131076870887124
Energy: 1.038556744403851
Energy: 0.9884463731499369
Energy: 0.9844776884160957
Energy: 0.719038150403972
Energy: 0.9844776884160957
Energy: 0.8231117268208646
Energy: 0.9838253057158654
Energy: 0.802660483484646
Energy: 0.9838253057170793
Energy: 1.037174753200592
Energy: 1.2456161272839121
Energy: 0.7026973408198693
Energy: 1.2456161272839121
Energy: 0.8726844672451148
Energy: 0.7657922995566763
Energy: 0.7048378258080831
Energy: 0.7657922995566763
Energy: 0.8624636673897634
Energy: 0.9857282127204728
Energy: 0.7133424170802394
Energy: 0.9857282127204728
Energy: 0.822576575855782
Energy: 1.008488445891716
Energy: 0.7083500109342297
Energy: 1.0084884458905021
Energy: 0.8233359191359039
Energy: 1.0497481844550596
Energy: 0.7157126478593588
Energy: 1.0497481844538454
Energy: 0.7180717831560669
Energy: 0.7369190386910592
Energy: 0.7147734837881146
Energy: 0.7369190386910592
Energy: 0.7146569782889197
Energy: 0.983836278063662
Energy: 0.8218918584234806
Energy: 0.983836278063662

minimum gb energy = 0.702543831517937 eV
minimum distance =  2.2439538726422 Angstroms
sigma value = 25


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

Energy: 0.6715784772417319
Energy: 0.6387020949580923
Energy: 0.8682180437881966
Energy: 0.6387020949580923
Energy: 0.9605176591550395
Energy: 0.6528856837026005
Energy: 0.6421938933654359
Energy: 0.6528856837026005
Energy: 0.6361046092827214
Energy: 0.635840795201914
Energy: 1.1390090669651374
Energy: 0.635840795201914
Energy: 0.7920759746536868
Energy: 0.6521194683321566
Energy: 0.6393712629669033
Energy: 0.6521194683331045
Energy: 0.640978244607216
Energy: 0.6536607744162984
Energy: 0.6186954541002258
Energy: 0.6536607744153504
Energy: 0.6182608295216032
Energy: 0.6533881655630237
Energy: 0.6419421881769827
Energy: 0.6533881655630237
Energy: 0.6413814077946403
Energy: 0.6372349273283648
Energy: 0.8438976654339556
Energy: 0.6372349273368749
Energy: 0.6204407994763796
Energy: 0.6721859977494737
Energy: 0.637518435127858
Energy: 0.6721859977494737
Energy: 0.6410409309219653
Energy: 0.6528902094599895
Energy: 0.9596332463478294
Energy: 0.6528902094599895
Energy: 0.6178721986408673
Energy: 0.6362112822251724
Energy: 0.6729509680207569
Energy: 0.6362112822261204
Energy: 0.6412230291649669
Energy: 0.6355315933874195
Energy: 0.9704923679249574
Energy: 0.6355315933883675
Energy: 0.8634111118637449
Energy: 0.8736754109406718
Energy: 0.6374665511390302
Energy: 0.8736754109586833
Energy: 0.6408187651053393
Energy: 0.652852869752934
Energy: 0.7910598342324306
Energy: 0.6528528697538819
Energy: 0.8599375410260556
Energy: 0.7126312605980423
Energy: 0.642185733597552
Energy: 0.7126312605980423
Energy: 0.6410852882372533
Energy: 0.6356861816245508
Energy: 0.6218657084722442
Energy: 0.6356861816245508
Energy: 0.849392886168326
Energy: 1.0921973176005981
Energy: 0.6436146752463086
Energy: 1.09219731759965
Energy: 0.641155326517938
Energy: 0.6728665928173745
Energy: 0.6161807516963018
Energy: 0.6728665928164265
Energy: 0.8174375710328521
Energy: 0.652851492441736
Energy: 0.6425852754668746
Energy: 0.652851492441736
Energy: 0.6767545790815096
Energy: 0.6358962291254717
Energy: 0.6270048745068779
Energy: 0.6358962291245237
Energy: 0.9666708773161403
Energy: 1.0912127757325802
Energy: 0.6442540298880703
Energy: 1.0912127757325802
Energy: 0.6409455688107106
Energy: 1.0903105066898156
Energy: 0.6255051715549893
Energy: 1.0903105066898156
Energy: 0.6356006524153129
Energy: 0.6528252483497509
Energy: 0.6423800691756345
Energy: 0.6528252483488028
Energy: 0.6413498802410191
Energy: 0.7115466458672365
Energy: 0.8572784715294207
Energy: 0.7115466458672365
Energy: 0.6201065038496852
Energy: 1.090752014580959
Energy: 0.6440299184543549
Energy: 1.090752014580959
Energy: 0.6391418223998644
Energy: 1.089648500716086
Energy: 0.8469299139860845
Energy: 1.089648500716086
Energy: 0.6184558545474295
Energy: 0.6730252028946287
Energy: 0.642002911871887
Energy: 0.6730252028946287

minimum gb energy = 0.6161807516963018 eV
minimum distance =  2.37597458965749 Angstroms
sigma value = 41


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

Energy: 0.893330920892872
Energy: 0.588827358041626
Energy: 1.0548716332851769
Energy: 0.588827358041626
Energy: 1.1254635027203763
Energy: 0.5752825611358839
Energy: 0.5692287064624212
Energy: 0.5752825611358839
Energy: 0.5873213834819045
Energy: 0.567047310962523
Energy: 1.0547468102546325
Energy: 0.5670473109609687
Energy: 0.8554895263527663
Energy: 0.576423977371699
Energy: 0.56921611735998
Energy: 0.576423977371699
Energy: 0.5655708661981625
Energy: 0.6020683232265629
Energy: 0.5577119829033841
Energy: 0.6020683232265629
Energy: 0.7121014595234754
Energy: 0.5759578819058382
Energy: 0.5690883502636621
Energy: 0.5759578819058382
Energy: 0.5685617418608762
Energy: 0.5758072848027189
Energy: 0.7593771296918872
Energy: 0.5758072848027189
Energy: 0.5555341013807105
Energy: 0.5872511615516962
Energy: 0.566518579883886
Energy: 0.5872511615602453
Energy: 0.5712945230002101
Energy: 0.8307901919043209
Energy: 0.8697160074838104
Energy: 0.8307901919043209
Energy: 0.5591241198559895
Energy: 0.5672204601878853
Energy: 0.5881871087049393
Energy: 0.5672204601878853
Energy: 0.5684157142574823
Energy: 0.5755706842020225
Energy: 0.990554989334973
Energy: 0.5755706842020225
Energy: 0.5552412452675003
Energy: 0.5887841144684283
Energy: 0.8919598245546198
Energy: 0.5887841144692054
Energy: 0.5710193794079661
Energy: 0.8310675389202321
Energy: 0.9903402945560519
Energy: 0.8310675389202321
Energy: 0.7666551540309776
Energy: 0.8283996069130536
Energy: 0.58822737814895
Energy: 0.8283996069332601
Energy: 0.5684239260058008
Energy: 0.5754250078783403
Energy: 0.8514593621270784
Energy: 0.5754250078783403
Energy: 0.7681210579717076
Energy: 0.82950516869733
Energy: 0.5664241914929979
Energy: 0.82950516869733
Energy: 0.5712526824429931
Energy: 0.8325308969596473
Energy: 0.7014246779617259
Energy: 0.8325308969604245
Energy: 0.7541080326216719
Energy: 0.8284471559741058
Energy: 0.5691911695675044
Energy: 0.8284471559741058
Energy: 0.5684827859754623
Energy: 0.586966936834744
Energy: 0.5672427235402808
Energy: 0.586966936834744
Energy: 0.7686410831786219
Energy: 0.8292653715471443
Energy: 0.5716765885686785
Energy: 0.8292653715471443
Energy: 0.5903408156381517
Energy: 0.8318003850618343
Energy: 0.5683064069863788
Energy: 0.8318003850602799
Energy: 0.9872524669594553
Energy: 1.050574391788533
Energy: 0.5693189164148882
Energy: 1.050574391788533
Energy: 0.8904744241239961
Energy: 0.5870716891189213
Energy: 0.5552194386138477
Energy: 0.5870716891181442
Energy: 0.8671478521574391
Energy: 0.8309790580280826
Energy: 0.5744151415399386
Energy: 0.830979058029637
Energy: 0.5902626873588789
Energy: 0.8274671346134288
Energy: 0.5642591919924222
Energy: 0.8274671346157604
Energy: 0.8478328047070689
Energy: 1.0538400716717977
Energy: 0.5691245599303976
Energy: 1.0538400716717977
Energy: 0.5686257185644539
Energy: 0.8286280770897014
Energy: 0.7648208104581479
Energy: 0.8286280770858155
Energy: 0.5656631951784452
Energy: 0.8318452737500486
Energy: 0.5746166390110692
Energy: 0.8318452737500486
Energy: 0.5714232357237029
Energy: 0.827755238057533
Energy: 0.758504085947298
Energy: 0.827755238057533
Energy: 0.5631450109734428
Energy: 0.8605300369021309
Energy: 0.5720232688977558
Energy: 0.8605300369021309
Energy: 0.573289400534791
Energy: 0.5876073741260338
Energy: 0.7645996436224477
Energy: 0.5876073731744155
Energy: 0.555871754845276
Energy: 0.8320723749911468
Energy: 0.5940463577749148
Energy: 0.8320723749903697

minimum gb energy = 0.5552194386138477 eV
minimum distance =  2.33827389200309 Angstroms
sigma value = 15


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

Energy: 0.8050735215307399
Energy: 0.5313380650348155
Energy: 0.9875491019896909
Energy: 0.5313380650315237
Energy: 1.0050015015262663
Energy: 0.532731360434219
Energy: 0.5295345175717135
Energy: 0.5327313604335605
Energy: 0.5474406842439313
Energy: 0.5278565406040585
Energy: 0.9891498419072926
Energy: 0.5278565406040585
Energy: 0.885507763438384
Energy: 0.5299557293567195
Energy: 0.5294666624681525
Energy: 0.5299557457924203
Energy: 0.5272281220943864
Energy: 0.95179803939109
Energy: 0.5159756456973624
Energy: 0.95179803939109
Energy: 0.7653486010139161
Energy: 0.5323836338604269
Energy: 0.529475501385622
Energy: 0.532383633865694
Energy: 0.5290882771205171
Energy: 0.5366611443401723
Energy: 0.687019482959524
Energy: 0.5366611443401723
Energy: 0.6451814624183654
Energy: 0.5371337826322422
Energy: 0.5297044005908039
Energy: 0.537133782631584
Energy: 0.5309386153433469
Energy: 0.9489402418706555
Energy: 0.7972983420886216
Energy: 0.9489402418706555
Energy: 0.5219146061843647
Energy: 0.529547143811391
Energy: 0.5277541455600138
Energy: 0.5295471438140246
Energy: 0.529178873987473
Energy: 0.529855505046172
Energy: 0.9056275482456289
Energy: 0.5298555068012893
Energy: 0.5140271675074507
Energy: 0.5279964205525349
Energy: 0.5478275434791622
Energy: 0.5279964205551685
Energy: 0.531136274621388
Energy: 0.5398463430671525
Energy: 1.0024132782720825
Energy: 0.5398463430421342
Energy: 0.522541036802571
Energy: 0.5287753713320508
Energy: 0.8032712823567947
Energy: 0.5287753713346843
Energy: 0.5291130933176741
Energy: 0.531448106094677
Energy: 1.0013508126795432
Energy: 0.531448106091385
Energy: 0.6933233293752827
Energy: 0.5280829023249876
Energy: 0.5478681356138988
Energy: 0.5280829023249876
Energy: 0.5310001726397707
Energy: 0.5390691979070171
Energy: 0.8829766815327377
Energy: 0.539069197929402
Energy: 0.693764309762881
Energy: 0.9396053058324749
Energy: 0.527887974808098
Energy: 0.9396053058324749
Energy: 0.5291498395776109
Energy: 0.5296080123949243
Energy: 0.7621668053466877
Energy: 0.5296080122968858
Energy: 0.6846692881618037
Energy: 0.5293217048549608
Energy: 0.5296603237304492
Energy: 0.5293217048398182
Energy: 0.531253135304694
Energy: 0.5493950122188164
Energy: 0.6408826288640104
Energy: 0.5493950120786416
Energy: 0.6911460316653238
Energy: 0.5374219573259145
Energy: 0.5329570226200712
Energy: 0.5374219573226224
Energy: 0.5293995481893069
Energy: 0.5294035683542506
Energy: 0.5182041328194822
Energy: 0.52940425009207
Energy: 0.9030360858050028
Energy: 0.5293532605640976
Energy: 0.5295441821043693
Energy: 0.5293532605779235
Energy: 0.5491748532313397
Energy: 0.5504779985108514
Energy: 0.5220585815488901
Energy: 0.5504779996164185
Energy: 0.8974050605264144
Energy: 0.9495902257890065
Energy: 0.5331430809922575
Energy: 0.9495902257890065
Energy: 0.8031480465602973
Energy: 0.9391519121456317
Energy: 0.5185920595363106
Energy: 0.9391519121456317
Energy: 1.0021611028835296
Energy: 0.5289681905954424
Energy: 0.5295581809828478
Energy: 0.528968190594784
Energy: 0.5491858169347298
Energy: 0.9603893254797863
Energy: 0.517242427196415
Energy: 0.9603893254797863
Energy: 0.7746869643614542
Energy: 0.9500723794071505
Energy: 0.5331306126596933
Energy: 0.9500723794071505
Energy: 0.5291680849368735
Energy: 0.9379638693741162
Energy: 0.6929399983673106
Energy: 0.9379638693741162
Energy: 0.7604148232889394
Energy: 0.5316120465698484
Energy: 0.529509284919846
Energy: 0.5316120465698484
Energy: 0.5309224446646185
Energy: 0.9611457492616643
Energy: 0.6820986576717682
Energy: 0.9611457492616643
Energy: 0.5137091241348537
Energy: 0.5516324291117943
Energy: 0.533133193853395
Energy: 0.5516324404058583
Energy: 0.525327053027616
Energy: 0.9392147158171494
Energy: 0.6944344903859988
Energy: 0.9392147158171494
Energy: 0.5182477817125404
Energy: 0.531892777482184
Energy: 0.5315623000166544
Energy: 0.5318927774815256
Energy: 0.5311288232213852
Energy: 0.9607445442128059
Energy: 0.9028063859932313
Energy: 0.9607445442134641

minimum gb energy = 0.5137091241348537 eV
minimum distance =  2.28876613336431 Angstroms
sigma value = 85


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

Energy: 0.814744977933111
Energy: 0.8977184050971367
Energy: 0.5410362763504735
Energy: 0.8977184050971367
Energy: 1.1611701276815807
Energy: 0.5150790366472792
Energy: 0.48400459189675515
Energy: 0.5150790366598416
Energy: 0.7780587299517434
Energy: 0.5188475733780731
Energy: 0.6063160564565924
Energy: 0.5188475733780731
Energy: 0.9382510872381867
Energy: 0.5107733928369721
Energy: 0.4840693651849773
Energy: 0.5107733931149256
Energy: 0.5696757908566401
Energy: 0.490519516403491
Energy: 0.485099817138018
Energy: 0.49051951636640106
Energy: 0.8293237193888333
Energy: 0.5180994864201941
Energy: 0.48403895677642866
Energy: 0.5180994859533133
Energy: 0.5429806206142559
Energy: 0.5247587052827699
Energy: 0.6562331969889309
Energy: 0.524758705283341
Energy: 0.7223554448841001
Energy: 0.5090392316932254
Energy: 0.4914391958892277
Energy: 0.5090392317114719
Energy: 0.4905975390817884
Energy: 0.4949927034524455
Energy: 0.7592479047738636
Energy: 0.49499270345301655
Energy: 0.6130212518929158
Energy: 0.5200569181143574
Energy: 0.5428346534564154
Energy: 0.5200569181143574
Energy: 0.4854375851419949
Energy: 0.5097485966255526
Energy: 0.8636820128841999
Energy: 0.5097485965656222
Energy: 0.5058070738983867
Energy: 0.5157088653303143
Energy: 0.5702887017977726
Energy: 0.5157088653303143
Energy: 0.48370747949439413
Energy: 0.49500009286113045
Energy: 0.954230162761886
Energy: 0.49500009286113045
Energy: 0.45580718443909396
Energy: 0.5191937623938248
Energy: 0.7850203060823518
Energy: 0.519193762443477
Energy: 0.48551818981222067
Energy: 0.510069950666172
Energy: 1.046002881702273
Energy: 0.510069950670169
Energy: 0.45121763522832314
Energy: 0.5155301178491265
Energy: 0.7502821531421678
Energy: 0.5155301178017585
Energy: 0.48356055470799575
Energy: 0.49620060101422586
Energy: 0.9921750937390327
Energy: 0.49620060101422586
Energy: 0.6092973215414236
Energy: 0.5189971790735253
Energy: 0.7850305577206242
Energy: 0.5189971790735253
Energy: 0.485394569635382
Energy: 0.5107704122684252
Energy: 0.9374928855346812
Energy: 0.5107704122330223
Energy: 0.6111987082274566
Energy: 0.8939060442900774
Energy: 0.57010522838484
Energy: 0.8939060442900774
Energy: 0.4845539683765338
Energy: 0.502575514131656
Energy: 0.8293340687416781
Energy: 0.502575514131656
Energy: 0.6567019604419964
Energy: 0.5097647331429067
Energy: 0.5428179018448589
Energy: 0.5097647331366256
Energy: 0.4917835209431412
Energy: 0.5091495519540472
Energy: 0.720953499550697
Energy: 0.5091495519534762
Energy: 0.670196255243599
Energy: 0.5240661433977198
Energy: 0.4911368195214127
Energy: 0.5240661433965779
Energy: 0.5437840639569989
Energy: 0.5087555041215779
Energy: 0.6129370455350027
Energy: 0.5087555041215779
Energy: 0.8636125879616986
Energy: 0.5098213369965032
Energy: 0.4854823632339162
Energy: 0.5098213369965032
Energy: 0.5709340903566131
Energy: 0.5088781870431037
Energy: 0.5055660529623837
Energy: 0.5088781870431037
Energy: 0.8699966458823836
Energy: 0.5238362200686212
Energy: 0.48418716728781064
Energy: 0.5238362200691922
Energy: 0.7767911458961078
Energy: 0.517064695289492
Energy: 0.5047100855723092
Energy: 0.5170646952420979
Energy: 1.045941650487089
Energy: 0.5108074830832179
Energy: 0.4858461962234556
Energy: 0.5108074830837889
Energy: 0.8120109141529064
Energy: 0.8926587483939937
Energy: 0.4511476918360769
Energy: 0.8926587483939937
Energy: 0.9583088348714909
Energy: 0.5239293352518801
Energy: 0.48404928773139566
Energy: 0.5239293352518801
Energy: 0.7769349438003541
Energy: 0.5172703644213201
Energy: 0.4536809132553787
Energy: 0.5172703645029489
Energy: 0.9376269150791382
Energy: 0.5088880455235139
Energy: 0.48591787022592636
Energy: 0.5088880471861474
Energy: 0.570809434339484
Energy: 0.8926814811941233
Energy: 0.6090404645245002
Energy: 0.8926814811941233
Energy: 0.7393443080982554
Energy: 0.532618316843538
Energy: 0.486010039925811
Energy: 0.5326183169702509
Energy: 0.5439669988019877
Energy: 0.5087812587223648
Energy: 0.6578330422382842
Energy: 0.5087812587183678
Energy: 0.7209271648757957
Energy: 0.508959584375317
Energy: 0.4937138785921875
Energy: 0.5089595843690359
Energy: 0.49260998784954213
Energy: 0.8912886977698844
Energy: 0.6701262664479936
Energy: 0.8912886977698844
Energy: 0.5201880367390916
Energy: 0.540785892510499
Energy: 0.5458378892611492
Energy: 0.540785892510499
Energy: 0.48318150403569643
Energy: 0.5088064665055002
Energy: 0.8635092112061012
Energy: 0.5088064665620046
Energy: 0.5051654695440652
Energy: 0.5086492315865593
Energy: 0.5731421518878327
Energy: 0.508649231577994
Energy: 0.4855804138535313
Energy: 0.891005922630604
Energy: 0.8693952607529175
Energy: 0.891005922630604

minimum gb energy = 0.4511476918360769 eV
minimum distance =  2.28813519866129 Angstroms
sigma value = 113


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

Energy: 0.011116426374463731
Energy: 0.011741191369317453
Energy: 0.6599843938007849
Energy: 0.011741191369317453
Energy: 0.6596769399134799
Energy: 0.20462714949764144
Energy: 0.2052476521341018
Energy: 0.20462714949805605
Energy: 0.011116426374463731
Energy: 0.011741191368902873
Energy: 0.659982471511505
Energy: 0.011741191369317453
Energy: 0.6596769399130654
Energy: 0.20462714949764144
Energy: 0.20524765213451637
Energy: 0.20462714949805605
Energy: 0.011116426374463731
Energy: 0.011741191369317453
Energy: 0.6599683023519125
Energy: 0.011741191369317453
Energy: 0.6596769399130654
Energy: 0.20462714949764144
Energy: 0.2052476521341018
Energy: 0.20462714949764144

minimum gb energy = 0.011116426374463731 eV
minimum distance =  2.55066734858425 Angstroms
sigma value = 1