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
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-8.182364135137019e-34, 1.1506832585387998e-20, 7.56506149982316e-20, 1.500760455244434e-19, 2.1339230370582599e-19, 2.6238045646701e-19, 2.9880273788773197e-19, 3.2516975875347e-19, 3.43894397075028e-19, 3.57099536892456e-19, 3.6653475509008196e-19, 3.73553890923636e-19, 3.7912305690341993e-19, 3.83878317153132e-19, 3.8819137665185996e-19, 3.9224328135924595e-19, 3.9607889222104196e-19, 3.9966456352793395e-19, 4.02920186448222e-19, 4.05746426030598e-19, 4.0804554950038793e-19, 4.09737448025892e-19, 4.10801293310868e-19, 4.11168191760054e-19, 4.10745217128678e-19, 4.09320882101052e-19, 4.0664364494563795e-19, 4.0242030733841393e-19, 3.9631441218623995e-19, 3.8792701750725e-19, 3.76774265957976e-19, 3.62258545653936e-19, 3.43614016164078e-19, 3.19847327975322e-19, 2.8963988971788597e-19, 2.5125654409714796e-19, 2.02428608999364e-19, 1.402543823226966e-19, 6.11842417345188e-20, -3.89122241276214e-20, -1.64469840186636e-19, -3.17504945736414e-19, -4.95067773376098e-19, -7.039499498572139e-19, -9.590260830498179e-19, -1.278826947902754e-18, -1.6752358885103999e-18, -2.15005695576264e-18, -2.7731274269588996e-18, -3.70522572732108e-18, -5.4764800615070994e-18, -1.016430469669404e-17, -2.2350844697290196e-17, -5.79177240131196e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -1.53523501962818 eV

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

Energy: 0.009796526737193518
Energy: 0.010062252320385764
Energy: 0.858698736285855
Energy: 0.10553043480024213
Energy: 0.010062252320385764
Energy: 0.9905364451918878
Energy: 0.10553043480024213
Energy: 0.9905364451918878
Energy: 0.858698736285855
Energy: 0.10553043480024213
Energy: 0.009796526737193518
Energy: 0.010062252320385764
Energy: 0.10553043480024213
Energy: 0.9905364451918878
Energy: 0.010062252320385764
Energy: 0.9905364451918878

minimum gb energy = 0.009796526737193518 eV
minimum distance =  2.52585148035144 Angstroms
sigma value = 1


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

Energy: 1.3805545881843757
Energy: 0.7512991395704413
Energy: 0.8247100028741273
Energy: 0.8234975699262775
Energy: 0.8136272129631549
Energy: 0.8380501159353628
Energy: 0.7844102152194867
Energy: 0.8380501159353628
Energy: 0.8254973925929131
Energy: 0.8187858622086164
Energy: 0.7827358860504987
Energy: 0.8187858622086164
Energy: 0.7821832260286103
Energy: 0.7826345952245226
Energy: 0.7833273373951444
Energy: 0.7826345952245226
Energy: 0.8439050995814606
Energy: 0.782146192809342
Energy: 0.7836651708720251
Energy: 0.782146192809342
Energy: 0.7821781266594378
Energy: 0.8841731549004987
Energy: 0.7820119879542019
Energy: 0.8841731549004987
Energy: 0.840764648010707
Energy: 0.8841128644611963
Energy: 0.8406122531409619
Energy: 0.8841128644611963
Energy: 0.8383646269220077
Energy: 0.9580708638143947
Energy: 0.7844924227484303
Energy: 0.9580708638136419
Energy: 0.8661713366816721
Energy: 0.9591419166638889
Energy: 0.867333588042253
Energy: 0.9591419166638889
Energy: 0.8823154544191271
Energy: 0.9262072899912297
Energy: 0.8672117819025705
Energy: 0.9262072899919825
Energy: 0.8711656649530607
Energy: 0.9577818237054596
Energy: 0.8675543819182218
Energy: 0.9577818237054596
Energy: 0.845490646832532
Energy: 0.956879292214607
Energy: 0.8211830918367393
Energy: 0.956879292214607
Energy: 0.8409893829664922
Energy: 0.8846189488835987
Energy: 0.8161995613390381
Energy: 0.8846189488835987
Energy: 0.7824287335826936
Energy: 0.8844818330907074
Energy: 0.8135186105427964
Energy: 0.8844818330907074
Energy: 0.8177062323433258
Energy: 0.7826819422945314
Energy: 0.7814337603658431
Energy: 0.7826819422945314
Energy: 0.7465825255556293
Energy: 0.7819655722630606
Energy: 0.7818674120401455
Energy: 0.7819655722630606
Energy: 0.8186507315885959
Energy: 0.8174980195160667
Energy: 0.7473650274225263
Energy: 0.8174980195160667
Energy: 0.7841194240319893
Energy: 0.7821166488717942
Energy: 0.8148950314205318
Energy: 0.7821166488717942
Energy: 0.8012420002410003
Energy: 0.8178772936844035
Energy: 0.8207313815805062
Energy: 0.8178772936844035
Energy: 0.7815563407415989
Energy: 0.783755604435513
Energy: 0.7829759345602904
Energy: 0.783755604435513
Energy: 0.7860222902748185
Energy: 0.78202992321644
Energy: 0.8443937681307757
Energy: 0.78202992321644
Energy: 0.7822654127360169
Energy: 0.7825834652758079
Energy: 0.7823458514390259
Energy: 0.7825834652758079
Energy: 0.8478858342777873
Energy: 0.8850098440261626
Energy: 0.838788179017727
Energy: 0.8850098440254097
Energy: 0.8170711307649183
Energy: 0.8850792876585821
Energy: 0.839577983585523
Energy: 0.8850792876585821
Energy: 0.8670806741774127
Energy: 0.9643695615911703
Energy: 0.8665265809165421
Energy: 0.9643695615911703
Energy: 0.867329530237363
Energy: 0.9572632881720328
Energy: 0.8468374283358006
Energy: 0.9572632881720328
Energy: 0.8677416896577661
Energy: 0.95983981017411
Energy: 0.8705748757341183
Energy: 0.95983981017411
Energy: 0.8665729793318905
Energy: 0.9583739486974756
Energy: 0.8383181109099163
Energy: 0.9583739486974756
Energy: 0.8176687546909347
Energy: 0.884587037712372
Energy: 0.838683764180332
Energy: 0.884587037712372
Energy: 0.8130078266286328
Energy: 0.8842890371678073
Energy: 0.8390839209374538
Energy: 0.8842890371678073
Energy: 0.7821495772607947
Energy: 0.7822187928388198
Energy: 0.8131859053595802
Energy: 0.7822187928388198
Energy: 0.7826736386893962
Energy: 0.7817976751531823
Energy: 0.7465230270709917
Energy: 0.7817976751531823
Energy: 0.7478059501170962
Energy: 0.818012132306616
Energy: 0.8174650847552326
Energy: 0.818012132306616

minimum gb energy = 0.7465230270709917 eV
minimum distance =  2.32621185400458 Angstroms
sigma value = 1


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

Energy: 0.9595536010854556
Energy: 0.787278334348462
Energy: 0.8698321358196733
Energy: 0.8682643927916887
Energy: 0.8641602024962489
Energy: 0.8803375292064173
Energy: 0.8252509234461542
Energy: 0.8803375292064173
Energy: 0.8646951087228927
Energy: 0.8625161684680126
Energy: 0.826153034204681
Energy: 0.8625161684680126
Energy: 0.8255400035769566
Energy: 0.825103580313558
Energy: 0.8253710344405184
Energy: 0.825103580313558
Energy: 0.8260389500694253
Energy: 0.8249504105982886
Energy: 0.8269448386202825
Energy: 0.8249504105982886
Energy: 0.825704232576772
Energy: 0.9436179348897827
Energy: 0.8251454536295906
Energy: 0.9436179348897827
Energy: 0.8929118046700033
Energy: 0.9447436106804705
Energy: 0.8970859563207906
Energy: 0.9447436106796122
Energy: 0.8919723326185367
Energy: 0.9473177523869268
Energy: 0.8381202526714718
Energy: 0.9473177523869268
Energy: 0.9208152887602057
Energy: 1.015310500449985
Energy: 0.9117824535674792
Energy: 1.015310500449985
Energy: 0.8668324795561858
Energy: 1.0173681450326577
Energy: 0.8985396787899387
Energy: 1.0173681450326577
Energy: 0.8626426365464979
Energy: 0.9449364275139223
Energy: 0.8923649070614371
Energy: 0.9449364275139223
Energy: 0.8628333744877252
Energy: 0.9472310349436137
Energy: 0.8252135794027261
Energy: 0.9472310349436137
Energy: 0.824886010568735
Energy: 0.8257329433022228
Energy: 0.8627496444478755
Energy: 0.8257329433022228
Energy: 0.8250166216359133
Energy: 0.8249725770966272
Energy: 0.7815738041184374
Energy: 0.8249725770966272
Energy: 0.7825279889916966
Energy: 0.8613903550023383
Energy: 0.8633086057997229
Energy: 0.8613903550023383
Energy: 0.8635237235053069
Energy: 0.825873036708826
Energy: 0.8253738541201796
Energy: 0.825873036708826
Energy: 0.8654893070758322
Energy: 0.8622830081993977
Energy: 0.8260929220013898
Energy: 0.8622830081993977
Energy: 0.8255322339854827
Energy: 0.826729085815919
Energy: 0.8247909260255403
Energy: 0.826729085815919
Energy: 0.8261350167341994
Energy: 0.8251696525375599
Energy: 0.8253329075751219
Energy: 0.8251696525375599
Energy: 0.8252273986662827
Energy: 0.8246785970691427
Energy: 0.8253906868636542
Energy: 0.8246785970691427
Energy: 0.8913942244845183
Energy: 0.9470332827455534
Energy: 0.8969983036479585
Energy: 0.9470332827464117
Energy: 0.8909180702459041
Energy: 0.9456747478400717
Energy: 0.8257786333706063
Energy: 0.9456747478400717
Energy: 0.8966133351956262
Energy: 1.0172740971613063
Energy: 0.9115125547798532
Energy: 1.0172740971613063
Energy: 0.8978984175867162
Energy: 1.0158947501366589
Energy: 0.8975247948035475
Energy: 1.0158947501366589
Energy: 0.8626925448129769
Energy: 0.9456851499307962
Energy: 0.8928408169261439
Energy: 0.9456851499307962
Energy: 0.8701396338836542
Energy: 0.9453365450525183
Energy: 0.8914927221782987
Energy: 0.9453365450525183
Energy: 0.8244047674210419
Energy: 0.8257834956705762
Energy: 0.8628268865800037
Energy: 0.8257834956705762
Energy: 0.8251983600376126
Energy: 0.8246996308910763
Energy: 0.7816577324969354
Energy: 0.8246996308910763
Energy: 0.7825590934102844
Energy: 0.8614285390980851
Energy: 0.8620389282689993
Energy: 0.8614285390980851

minimum gb energy = 0.7815738041184374 eV
minimum distance =  2.33023801610353 Angstroms
sigma value = 25


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

Energy: 1.0768954685425294
Energy: 0.8267330228988171
Energy: 0.9193286066619368
Energy: 0.9190572883750121
Energy: 0.9240285285004063
Energy: 0.9263081902052612
Energy: 0.874727929513664
Energy: 0.9263081902052612
Energy: 0.9107371913076345
Energy: 0.9111445117442704
Energy: 0.8775179411340419
Energy: 0.9111445117442704
Energy: 0.8744323406005288
Energy: 0.8757336621078995
Energy: 0.8744978866423796
Energy: 0.8757336621078995
Energy: 0.8759781554057455
Energy: 0.8746775552613208
Energy: 0.8739767078273556
Energy: 0.8746775552613208
Energy: 0.8744708775136744
Energy: 1.0068304576325018
Energy: 0.8740539862446941
Energy: 1.0068304576325018
Energy: 0.9562386403865414
Energy: 1.024172814864461
Energy: 0.955344580764808
Energy: 1.024172814864461
Energy: 0.93936778063718
Energy: 1.0205201814407694
Energy: 0.8743589703371105
Energy: 1.0205201814407694
Energy: 0.9561164351992806
Energy: 1.0201148799986532
Energy: 0.9761091916196554
Energy: 1.0201148799986532
Energy: 0.8746934360625961
Energy: 1.0208937725822036
Energy: 0.8745060988213675
Energy: 1.0208937725822036
Energy: 0.8190578392894515
Energy: 0.8750338903375721
Energy: 0.8733455884790883
Energy: 0.8750338903375721
Energy: 0.8193432452388384
Energy: 0.8748409825454744
Energy: 0.8744060369336979
Energy: 0.8748409825454744
Energy: 0.9106560198816562
Energy: 0.9106407795693129
Energy: 0.8200897886958326
Energy: 0.9106407795693129
Energy: 0.8744135515915269
Energy: 0.8753200586494063
Energy: 0.9248696996892458
Energy: 0.8753200586494063
Energy: 0.8767800922782817
Energy: 0.910306911993971
Energy: 0.9165177492721418
Energy: 0.910306911993971
Energy: 0.874680011156449
Energy: 0.8750697154559602
Energy: 0.8740959037581428
Energy: 0.8750697154559602
Energy: 0.8759392640223117
Energy: 0.875191956133488
Energy: 0.8750052345440051
Energy: 0.875191956133488
Energy: 0.8753330347968621
Energy: 0.8749327282489909
Energy: 0.8743876969021074
Energy: 0.8749327282489909
Energy: 0.9550087781663089
Energy: 1.0861251924607744
Energy: 0.9556347139432594
Energy: 1.0861251924607744
Energy: 0.8742621681707201
Energy: 1.0253578939758878
Energy: 0.9541883530509886
Energy: 1.0253578939758878
Energy: 0.9761084178853031
Energy: 1.0210640151078685
Energy: 0.9562290270618238
Energy: 1.0210640151078685
Energy: 0.9797466561085406
Energy: 1.0201147932723107
Energy: 0.9406190462434878
Energy: 1.0201147932723107
Energy: 0.8747345186640567
Energy: 0.8754595864527119
Energy: 0.8192202653716533
Energy: 0.8754595864527119
Energy: 0.8742006851260066
Energy: 0.8748366678855826
Energy: 0.8190069579003263
Energy: 0.8748366678855826
Energy: 0.8199441174250002
Energy: 0.9106987973441072
Energy: 0.9108621363120014
Energy: 0.9106987973441072

minimum gb energy = 0.8190069579003263 eV
minimum distance =  2.32817668980516 Angstroms
sigma value = 9


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

Energy: 1.3521754047848957
Energy: 0.8689061681273843
Energy: 0.975571334853929
Energy: 0.9641001501531836
Energy: 1.004257527223358
Energy: 0.9753644843709859
Energy: 0.9494897794928626
Energy: 0.9753644843709859
Energy: 0.9632669976542674
Energy: 0.963596073051699
Energy: 0.9301438409686709
Energy: 0.963596073051699
Energy: 0.931147539727847
Energy: 0.9342297282976112
Energy: 0.9496290978395238
Energy: 0.9342297282976112
Energy: 0.9498856202306805
Energy: 0.9344716535704277
Energy: 0.9325157103319521
Energy: 0.9344716535704277
Energy: 0.9312536493480787
Energy: 1.1010490395561683
Energy: 0.9331678978948571
Energy: 1.1010490395561683
Energy: 0.9977108751408813
Energy: 1.0890375175883553
Energy: 0.9497838098428335
Energy: 1.0890375175883553
Energy: 0.9495041413250385
Energy: 1.0938914635423045
Energy: 0.933462544263371
Energy: 1.0938914635423045
Energy: 0.9321904870697513
Energy: 0.9335226855679196
Energy: 0.8574344941131453
Energy: 0.9335226855679196
Energy: 0.9494899534388045
Energy: 0.9340826285008734
Energy: 0.8573297089306684
Energy: 0.9340826285008734
Energy: 0.8586529619428369
Energy: 0.9628725134184135
Energy: 0.9637598732741854
Energy: 0.9628725134184135
Energy: 1.0036604189281286
Energy: 0.9305844635915379
Energy: 0.9496151694592339
Energy: 0.9305844635915379
Energy: 0.9735710648220882
Energy: 0.963021067684922
Energy: 0.9301217493703458
Energy: 0.963021067684922
Energy: 0.9305497870495673
Energy: 0.9303367804730555
Energy: 0.9294446620077744
Energy: 0.9303367804730555
Energy: 0.9491791407980499
Energy: 0.9333613284586144
Energy: 0.93447934656314
Energy: 0.9333613284586144
Energy: 0.931156127536697
Energy: 0.9328995153120048
Energy: 0.9344442552992746
Energy: 0.9328995153120048
Energy: 0.9966885984847645
Energy: 1.0871992113949316
Energy: 0.9498127486827204
Energy: 1.0871992113949316
Energy: 0.9970873565908851
Energy: 1.0904892508554618
Energy: 0.9333244236231991
Energy: 1.0904892508554618
Energy: 0.933597451648182
Energy: 0.9333943089005761
Energy: 0.8573691248884364
Energy: 0.9333943089005761
Energy: 0.9328365879761081
Energy: 0.9335053040261033
Energy: 0.8571739975392616
Energy: 0.9335053040261033
Energy: 0.8589784945029608
Energy: 0.9627836105992107
Energy: 0.9624800829220579
Energy: 0.9627836105992107

minimum gb energy = 0.8571739975392616 eV
minimum distance =  2.33403261742922 Angstroms
sigma value = 25


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

Energy: 1.1724812076502056
Energy: 0.9133188617269757
Energy: 1.0467354606268815
Energy: 1.0293457374708403
Energy: 0.9025177338002653
Energy: 0.9896544407085468
Energy: 0.9325574367864412
Energy: 0.9896544407085468
Energy: 1.025899612354307
Energy: 1.026605451291378
Energy: 0.904054632487283
Energy: 1.026605451291378
Energy: 0.9052966932406662
Energy: 0.9899583349175911
Energy: 0.9319294488856392
Energy: 0.9899583349175911
Energy: 0.9927774308693584
Energy: 1.0975968675353844
Energy: 0.9321045046139291
Energy: 1.0975968675353844
Energy: 0.904323384819924
Energy: 1.0970913758553904
Energy: 0.9311894398665626
Energy: 1.0970913758553904
Energy: 0.8998269097364487
Energy: 0.9335663707882926
Energy: 0.9323305010481308
Energy: 0.9335663707868205
Energy: 0.9001252482629559
Energy: 0.9900226520561772
Energy: 0.9321074292737249
Energy: 0.9900226520561772
Energy: 1.0272379899729194
Energy: 1.0264718233910979
Energy: 0.8996673996989202
Energy: 1.0264718233910979
Energy: 0.9332550555145169
Energy: 1.0258337459216127
Energy: 0.8997138410583151
Energy: 1.0258337459216127
Energy: 0.9054683184271138
Energy: 1.0258548246613626
Energy: 1.0387984528318124
Energy: 1.0258548246613626
Energy: 0.9042564476954561
Energy: 0.9061033440980814
Energy: 0.9043967879880643
Energy: 0.9061033440980814
Energy: 0.9318695199271873
Energy: 1.097689339835412
Energy: 0.9932660564676491
Energy: 1.097689339835412
Energy: 0.9322417030588751
Energy: 0.9333678938400903
Energy: 0.9057026240898003
Energy: 0.9333678942741822
Energy: 0.9322122906614014
Energy: 0.9324049723730529
Energy: 0.8999626652314793
Energy: 0.9324049722361737
Energy: 0.9318623302936884
Energy: 1.0967809592510387
Energy: 0.8999861113628362
Energy: 1.0967809592510387
Energy: 0.8996011006524568
Energy: 1.0262127340962472
Energy: 1.0251528222162973
Energy: 1.0262127340962472

minimum gb energy = 0.8996011006524568 eV
minimum distance =  2.33445215357004 Angstroms
sigma value = 17


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

Energy: 1.3077796570571825
Energy: 1.0493908285797255
Energy: 1.1519388026987318
Energy: 1.1273293749632298
Energy: 0.9364958721671218
Energy: 0.9887997316726588
Energy: 1.0777842494454182
Energy: 0.9887997316718249
Energy: 0.9884268577512035
Energy: 0.9885227939604769
Energy: 1.1627214407124016
Energy: 0.9885227939604769
Energy: 0.9899772700812193
Energy: 1.0102436955581025
Energy: 0.9863705842460643
Energy: 1.010243697572457
Energy: 0.9883154683537172
Energy: 1.1067100670245513
Energy: 1.0418943029125942
Energy: 1.1067100670245513
Energy: 0.9878783708229028
Energy: 1.110794346067701
Energy: 0.9885256460755854
Energy: 1.110794346067701
Energy: 1.079012060459619
Energy: 0.9875876439320124
Energy: 0.9910412109031799
Energy: 0.9875876439320124
Energy: 1.2104898753965494
Energy: 0.9874073846590207
Energy: 0.9924279102629012
Energy: 0.9874073846590207
Energy: 1.14955861289444
Energy: 1.1240576145558783
Energy: 1.1629889976619614
Energy: 1.1240576145558783
Energy: 1.1260847795425784
Energy: 1.123743539206385
Energy: 1.012312643454252
Energy: 1.123743539206385
Energy: 1.0089919406958472
Energy: 0.9957384100703245
Energy: 0.9581923137121335
Energy: 0.9957384100703245
Energy: 1.0648910941943883
Energy: 0.9956086056655098
Energy: 0.9910651557256102
Energy: 0.995608605664676
Energy: 1.0370384645604427
Energy: 0.9971181893752569
Energy: 0.9930669486239063
Energy: 0.9971181893694204
Energy: 1.0360497050630957
Energy: 0.99572759028388
Energy: 0.9591900109002379
Energy: 0.99572759028388
Energy: 1.124647808495502
Energy: 1.1229870662872448
Energy: 1.2445696642026471
Energy: 1.1229870662872448
Energy: 1.151045710076128
Energy: 1.1233879538000349
Energy: 1.0824303537277196
Energy: 1.1233879538000349
Energy: 1.0865903196680127
Energy: 0.9876947803739018
Energy: 1.0142323635877741
Energy: 0.9876947803747355
Energy: 1.0870343512555618
Energy: 0.9873956766615478
Energy: 0.9880894022088089
Energy: 0.9873956766615478
Energy: 0.98759005717955
Energy: 1.1072756689696117
Energy: 1.067809574482413
Energy: 1.1072756689696117
Energy: 1.0412689798942407
Energy: 1.1857665986775303
Energy: 0.9875804760494934
Energy: 1.1857665986775303
Energy: 0.9873576866478075
Energy: 0.9882181371535841
Energy: 1.0838262029369845
Energy: 0.9882181371535841
Energy: 1.0129665426005885
Energy: 1.0005275240534295
Energy: 1.0795203982233117
Energy: 1.0005275240534295
Energy: 1.0780192402202013
Energy: 1.123529554938752
Energy: 1.075673016942584
Energy: 1.123529554938752
Energy: 1.1635014165172122
Energy: 1.1246458251973612
Energy: 1.1249722636654504
Energy: 1.1246458251973612
Energy: 0.9925641906410947
Energy: 0.9950402797549934
Energy: 1.1244412917266355
Energy: 0.9950402797541598
Energy: 0.9913083471505914
Energy: 0.9951213257054841
Energy: 1.009789096378301
Energy: 0.9951213257054841
Energy: 0.9581381042699496
Energy: 0.9602926653618314
Energy: 1.0378058519374718
Energy: 0.9602926653618314
Energy: 0.9913247005358315
Energy: 0.9953371962375113
Energy: 1.0801101322992497
Energy: 0.9953371962375113
Energy: 0.9939904913472729
Energy: 1.080055292866656
Energy: 1.080429044267967
Energy: 1.080055292866656
Energy: 1.2434858530759034
Energy: 1.1244200062526937
Energy: 1.1233386552098183
Energy: 1.1244200062526937

minimum gb energy = 0.9364958721671218 eV
minimum distance =  2.32923324213378 Angstroms
sigma value = 53


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

Energy: 1.4342653535251602
Energy: 0.9344608811130383
Energy: 1.0661720843984013
Energy: 1.067077210925556
Energy: 1.2048203888392792
Energy: 0.9975849782632885
Energy: 1.0664710320853437
Energy: 0.9975849782632885
Energy: 1.0662074231622813
Energy: 1.0679219464322478
Energy: 1.09311055260342
Energy: 1.0679219464322478
Energy: 1.0664303465995466
Energy: 0.997627751223366
Energy: 1.0644781723218593
Energy: 0.997627751223366
Energy: 1.1000099215732513
Energy: 0.9971772275430514
Energy: 0.918550895845875
Energy: 0.9971772275411319
Energy: 1.0643255843735089
Energy: 0.9994230366093224
Energy: 0.9188145240704226
Energy: 0.9994230366093224
Energy: 1.2457286994834378
Energy: 1.0653885618436647
Energy: 1.0659054007600164
Energy: 1.0653885618436647
Energy: 1.2490748965194776
Energy: 1.064481547771619
Energy: 1.0632585416335403
Energy: 1.064481547771619
Energy: 1.067717033911096
Energy: 1.0667102436527498
Energy: 1.092992900350288
Energy: 1.0667102436527498
Energy: 1.0642940552367994
Energy: 1.064634083604096
Energy: 1.0666295608991574
Energy: 1.064634083604096
Energy: 1.0996264705482648
Energy: 1.0013776894135293
Energy: 0.9486559197424128
Energy: 1.0013776894135293
Energy: 1.0664456829603661
Energy: 0.9963710960685426
Energy: 0.9185555578685801
Energy: 0.9963710960685426
Energy: 1.2452115254430385
Energy: 1.0642513803592184
Energy: 1.063194727291473
Energy: 1.0642513803592184

minimum gb energy = 0.918550895845875 eV
minimum distance =  2.34569113756469 Angstroms
sigma value = 9


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

Energy: 1.2740980660849788
Energy: 1.0832654687494156
Energy: 1.2096577981863814
Energy: 1.1635408013798454
Energy: 1.0414709472449366
Energy: 0.9949672852185546
Energy: 1.2489752890793548
Energy: 0.9949672852185546
Energy: 0.9968678057382664
Energy: 0.9954390915085088
Energy: 1.1783801146136155
Energy: 0.9954390915070881
Energy: 1.0092293830188108
Energy: 0.9960736511548955
Energy: 1.2447196370862779
Energy: 0.9960736511548955
Energy: 0.9939806036836681
Energy: 0.9913605020231714
Energy: 1.2603936550045016
Energy: 0.9913605020231714
Energy: 1.0046369893105058
Energy: 0.9963799330747668
Energy: 1.2484984045807108
Energy: 0.9963799330747668
Energy: 1.256054115748005
Energy: 1.1575213942359044
Energy: 1.235662403239701
Energy: 1.1575213942359044
Energy: 1.2526438469351173
Energy: 1.1561249226043349
Energy: 1.160097358021342
Energy: 1.1561249226043349
Energy: 1.0298958716069704
Energy: 1.2527403222920812
Energy: 1.0678968958112833
Energy: 1.2527403222920812
Energy: 0.9932192094491694
Energy: 1.07101612987437
Energy: 1.157871099145275
Energy: 1.07101612987437
Energy: 1.0274903926531223
Energy: 1.027271875554529
Energy: 1.2380915604388991
Energy: 1.027271875554529
Energy: 1.0392311118648085
Energy: 1.0293745207306095
Energy: 1.263445240283907
Energy: 1.0293745207306095
Energy: 1.2485855397986245
Energy: 1.0273239762861832
Energy: 1.0302247981659058
Energy: 1.0273239762861832
Energy: 1.258401565168127
Energy: 1.028615549909866
Energy: 1.0290894613318002
Energy: 1.028615549909866
Energy: 1.1582878502457234
Energy: 1.0492899665858244
Energy: 1.0465414756459859
Energy: 1.0492899665858244
Energy: 1.1018471423386402
Energy: 1.2389941002212588
Energy: 1.066251925389845
Energy: 1.2389941002205485
Energy: 1.172271281041291
Energy: 1.106259932942902
Energy: 1.031341934074224
Energy: 1.1062599329436122
Energy: 1.1665707956547011
Energy: 1.1586609318340158
Energy: 1.2564246603235187
Energy: 1.1586609318347263
Energy: 1.2472852620971644
Energy: 1.2381832798867107
Energy: 1.0040744531221142
Energy: 1.2381832798867107
Energy: 1.1787714031153933
Energy: 0.9949005904516705
Energy: 0.9967605518910291
Energy: 0.9949005904509601
Energy: 1.243526797047103
Energy: 0.992322942001027
Energy: 0.9937371781877071
Energy: 0.992322942001027
Energy: 1.2578651247688157
Energy: 0.9908270537305099
Energy: 0.9922269762374483
Energy: 0.9908270537305099
Energy: 1.2601891439765298
Energy: 0.9946992307028987
Energy: 1.003405123791298
Energy: 0.9946992307028987
Energy: 1.2367849575848844
Energy: 1.1576859241042432
Energy: 1.2563778049098453
Energy: 1.1576859241042432
Energy: 1.1600390365013562
Energy: 1.1564496989220285
Energy: 1.2536862928903385
Energy: 1.1564496989220285
Energy: 1.0682744838284381
Energy: 1.2525706873294902
Energy: 1.0293986999612756
Energy: 1.2525706873294902
Energy: 1.157544703206408
Energy: 1.0715839603976127
Energy: 0.9925056319644834
Energy: 1.0715839603976127
Energy: 1.2653579093056702
Energy: 1.02806803716487
Energy: 1.028433912392853
Energy: 1.02806803716487
Energy: 1.2536450129824857
Energy: 1.0302874601188738
Energy: 1.0331053154002683
Energy: 1.0302874601188738
Energy: 1.0299402962604853
Energy: 1.0272174181065261
Energy: 1.248471980609249
Energy: 1.0272174181065261
Energy: 1.0312302384146692
Energy: 1.0298285060209644
Energy: 1.2058069324548133
Energy: 1.0298285060209644
Energy: 1.049017358250845
Energy: 1.0486552415478787
Energy: 1.1589819574139202
Energy: 1.0486552415478787
Energy: 1.054412012485183
Energy: 1.16673358562696
Energy: 1.1099067254453407
Energy: 1.16673358562696
Energy: 1.0295824936330167
Energy: 1.1057992865183384
Energy: 1.1016107363246799
Energy: 1.1057992865183384
Energy: 1.2770112036813825
Energy: 1.1574562436045588
Energy: 1.1638021103040406
Energy: 1.1574562436045588

minimum gb energy = 0.9908270537305099 eV
minimum distance =  2.26845363964374 Angstroms
sigma value = 73


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

Energy: 1.2372997469196936
Energy: 1.007036902452322
Energy: 1.1083383908208644
Energy: 1.107806783561184
Energy: 1.1114278991828677
Energy: 1.2137746431302248
Energy: 1.1169119346839664
Energy: 1.2137746431302248
Energy: 1.000633375473323
Energy: 1.2107835600751227
Energy: 1.1145256390638516
Energy: 1.2107835600751227
Energy: 1.002611451577619
Energy: 1.002506072914438
Energy: 1.2280530283313575
Energy: 1.002506072914438
Energy: 0.9991678833405955
Energy: 0.9989223552047449
Energy: 1.217637265519401
Energy: 0.9989223552047449
Energy: 1.0127265238373186
Energy: 1.2103525330916323
Energy: 1.2171198446233995
Energy: 1.2103525330916323
Energy: 1.114738379752872
Energy: 1.1073534331735475
Energy: 1.1276487109422637
Energy: 1.1073534331735475
Energy: 1.1145973554674093
Energy: 1.1050891251521906
Energy: 1.1044008819733773
Energy: 1.1050891251521906
Energy: 1.1058912777576286
Energy: 1.1215479556287649
Energy: 1.11753193612324
Energy: 1.1215479556298662
Energy: 1.000094899954076
Energy: 1.1216639068038539
Energy: 1.104769886716955
Energy: 1.1216639068038539
Energy: 1.1040644404395556
Energy: 1.105383169074856
Energy: 1.111826235875997
Energy: 1.105383169074856
Energy: 1.126715620602887
Energy: 1.108420179630711
Energy: 1.214908027045086
Energy: 1.108420179630711
Energy: 1.102758478063979
Energy: 1.2107848467410518
Energy: 1.0131956381088465
Energy: 1.2107848467410518
Energy: 1.112871138809567
Energy: 1.0047844656273142
Energy: 1.006087431560603
Energy: 1.0047844656273142
Energy: 1.2195872136762629
Energy: 1.002172436636789
Energy: 1.0014225595713702
Energy: 1.002172436636789
Energy: 1.217680309591702
Energy: 1.2103543022185963
Energy: 1.0010782233248903
Energy: 1.2103543022185963
Energy: 1.2159105838063289
Energy: 1.2132328088492241
Energy: 1.0127835703582964
Energy: 1.2132328088492241
Energy: 1.1242090401037281
Energy: 1.1075763836414956
Energy: 1.114792627510613
Energy: 1.1075763836414956
Energy: 1.1051186009932419
Energy: 1.107641408462089
Energy: 1.1153633215305352
Energy: 1.107641408462089
Energy: 1.1194557498558915
Energy: 1.1217478601795128
Energy: 1.107536799898717
Energy: 1.1217478601795128
Energy: 1.1056260029227258
Energy: 1.1214953413874353
Energy: 1.0025369424448012
Energy: 1.1214953413874353
Energy: 1.215758433437951
Energy: 1.105494836916014
Energy: 1.1048412134851107
Energy: 1.1054948369171411

minimum gb energy = 0.9989223552047449 eV
minimum distance =  2.30873986106791 Angstroms
sigma value = 7


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

Energy: 1.2515019652670047
Energy: 1.0347691676106041
Energy: 1.1139000310574647
Energy: 1.1165701964376806
Energy: 1.1055071707984083
Energy: 1.1593847719429666
Energy: 1.2023271270361824
Energy: 1.1593847719437638
Energy: 1.0228963374252849
Energy: 1.1616939897239924
Energy: 1.1147583404413515
Energy: 1.1616939897231957
Energy: 1.0177752559389843
Energy: 1.01704708690305
Energy: 1.2010645986289117
Energy: 1.0170470869022528
Energy: 1.0139153383227293
Energy: 1.0112985849352036
Energy: 1.1951772483441296
Energy: 1.0112985849352036
Energy: 1.1054386932454923
Energy: 1.0110063988047682
Energy: 1.1954630989923194
Energy: 1.011006398803971
Energy: 1.2171748346237043
Energy: 1.0123622579136553
Energy: 1.1033776476712334
Energy: 1.0123622579128584
Energy: 1.2012417585508879
Energy: 1.0097124458155473
Energy: 1.0102800001813754
Energy: 1.0097124458155473
Energy: 1.1999344437521373
Energy: 1.0136605281183213
Energy: 1.013595615911676
Energy: 1.0136605281183213
Energy: 1.2026890197130669
Energy: 1.1726924275426647
Energy: 1.0109365047204038
Energy: 1.1726924275434616
Energy: 1.2003323136003035
Energy: 1.1104422148381319
Energy: 1.1975882711377521
Energy: 1.110442214838929
Energy: 1.1173962945576905
Energy: 1.1123317686195269
Energy: 1.2135931529070263
Energy: 1.1123317686195269
Energy: 1.1081294735229392
Energy: 1.1156646651569608
Energy: 1.1134425004215307
Energy: 1.1156646651569608
Energy: 1.1125050913328156
Energy: 1.0894179360773464
Energy: 1.0450844086834044
Energy: 1.0894179360773464
Energy: 1.1167401777665136
Energy: 1.1143516315430442
Energy: 1.025097454730523
Energy: 1.1143516315430442
Energy: 1.1965629400102937
Energy: 1.1138641617491418
Energy: 1.1171459812599833
Energy: 1.1138641617491418
Energy: 1.2043411414958438
Energy: 1.109560359608189
Energy: 1.2106171895677615
Energy: 1.109560359608189
Energy: 1.011389375640642
Energy: 1.1705497029467182
Energy: 1.1135312812700697
Energy: 1.1705497029467182
Energy: 1.0134137809240207
Energy: 1.0136022147992316
Energy: 1.2010926962062665
Energy: 1.0136022147992316
Energy: 1.0099000141960728
Energy: 1.0094649625718286
Energy: 1.207831971860555
Energy: 1.0094649625710317
Energy: 1.1033141495220393
Energy: 1.0122303074282444
Energy: 1.1973405839081261
Energy: 1.0122303074282444
Energy: 1.213530653396481
Energy: 1.0113714779077587
Energy: 1.1049565037553584
Energy: 1.0113714779077587
Energy: 1.2058989948968832
Energy: 1.0122972888224318
Energy: 1.0119474164370845
Energy: 1.0122972888224318
Energy: 1.2017585356981384
Energy: 1.0182329475690906
Energy: 1.0182567942760297
Energy: 1.0182329475690906
Energy: 1.2020616217851838
Energy: 1.1717841861537184
Energy: 1.023567736753968
Energy: 1.1717841861585003
Energy: 1.1923420640076796
Energy: 1.1574017587292922
Energy: 1.0151480737521468
Energy: 1.1574017587292922
Energy: 1.1124063313693267
Energy: 1.1160819678080034
Energy: 1.2270532359547848
Energy: 1.1160819678080034
Energy: 1.107987784892584
Energy: 1.109152017831381
Energy: 1.1105812588959123
Energy: 1.109152017831381
Energy: 1.1145661785784675
Energy: 1.1192374547824928
Energy: 1.110090894707398
Energy: 1.1192374547832897
Energy: 1.1130589874939167
Energy: 1.1176682255079393
Energy: 1.0458504949250047
Energy: 1.1176682255079393
Energy: 1.2035583028677168
Energy: 1.111631416342885
Energy: 1.1144912230761246
Energy: 1.111631416342885

minimum gb energy = 1.0094649625710317 eV
minimum distance =  2.2782990438517 Angstroms
sigma value = 29


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

Energy: 0.974636251296806
Energy: 0.976937132385762
Energy: 1.0164152956453802
Energy: 1.087678356383325
Energy: 1.0036050832794148
Energy: 1.0825936586943077
Energy: 1.0109474710863282
Energy: 1.0825936586943077
Energy: 1.0088989969629671
Energy: 1.0859538989119177
Energy: 0.9900961210116687
Energy: 1.0859538989119177
Energy: 1.0018713253333689
Energy: 1.0084628509495692
Energy: 1.0067026623466098
Energy: 1.0084628509495692
Energy: 1.0074789674011146
Energy: 1.0089455488703374
Energy: 1.003195794604834
Energy: 1.0089455488700596
Energy: 1.0061802864482312
Energy: 1.0819496340055925
Energy: 1.0024690843165547
Energy: 1.081949634005315
Energy: 0.9905417927337171
Energy: 1.0848839875040515
Energy: 1.0081408560544296
Energy: 1.0848839875040515
Energy: 1.0114478995645377
Energy: 1.0109316706227385
Energy: 1.0021951136086782
Energy: 1.0109316706227385
Energy: 1.0036610400690016
Energy: 1.0018114019931503
Energy: 1.0019736404556419
Energy: 1.0018114019931503

minimum gb energy = 0.974636251296806 eV
minimum distance =  2.32933722038478 Angstroms
sigma value = 5


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

Energy: 1.178035764698701
Energy: 0.952044388674093
Energy: 1.1557990556123225
Energy: 0.9656139494135896
Energy: 1.1455232465506697
Energy: 0.9757052197257833
Energy: 1.1141521930824538
Energy: 0.9757052197257833
Energy: 1.1126283047604617
Energy: 1.0557713834401161
Energy: 1.1125526520217752
Energy: 1.0557713834401161
Energy: 1.0541629635344605
Energy: 0.9666665711762643
Energy: 1.1308470919656581
Energy: 0.9666665711762643
Energy: 1.0953188467881998
Energy: 0.9706511425445602
Energy: 1.055184948764786
Energy: 0.9706511425445602
Energy: 0.9787970144859117
Energy: 0.9710038974158902
Energy: 1.0556012526402188
Energy: 0.9710038974158902
Energy: 0.9647921369755736
Energy: 0.9649657953738324
Energy: 1.1312524060451428
Energy: 0.9649657953738324
Energy: 0.9800569568356845
Energy: 1.0053986866887819
Energy: 1.174225213664319
Energy: 1.0053986866887819
Energy: 1.1510696168226686
Energy: 1.1017965714105593
Energy: 1.1462274652284608
Energy: 1.1017965714105593
Energy: 1.1755620478418816
Energy: 0.9513832830398119
Energy: 0.953559149479345
Energy: 0.9513832830405647
Energy: 1.148500522950081
Energy: 0.953251170623663
Energy: 0.9542604402275661
Energy: 0.953251170623663
Energy: 1.1695974512492897
Energy: 0.9543254484110166
Energy: 0.9573233992135803
Energy: 0.9543254484110166
Energy: 1.1703885883896126
Energy: 0.9521805912359557
Energy: 1.0930253737469684
Energy: 0.9521805912359557
Energy: 1.1437343362991748
Energy: 1.102468651688336
Energy: 1.1700038111662927
Energy: 1.102468651688336
Energy: 1.015402682294665
Energy: 0.9446745927677348
Energy: 1.1665581118643984
Energy: 0.9446745927677348
Energy: 1.0144712801000617
Energy: 0.9459952375999473
Energy: 1.1298269947847885
Energy: 0.9459952375999473
Energy: 1.0116414910356735
Energy: 0.9385330404531735
Energy: 0.9817246010351224
Energy: 0.9385330404531735
Energy: 1.142865950912614
Energy: 0.945665491090789
Energy: 1.13334563341172
Energy: 0.945665491090789
Energy: 1.1611661207304589
Energy: 0.9413887872411565
Energy: 1.0027696638380927
Energy: 0.9413887872411565
Energy: 1.1292592454937316
Energy: 0.9728674192963599
Energy: 1.049314790475759
Energy: 0.9728674192963599
Energy: 1.0560513584794349
Energy: 0.9720889037295479
Energy: 1.0261955720465334
Energy: 0.9720889037295479
Energy: 1.050801967356881
Energy: 0.9708695969258568
Energy: 0.9756711570153711
Energy: 0.9708695969258568
Energy: 1.1711428431344317
Energy: 0.9702799547306529
Energy: 0.9754521791540225
Energy: 0.9702799547306529
Energy: 1.1738348696520076
Energy: 0.9773425600613358
Energy: 0.9810571334445229
Energy: 0.977342560060583
Energy: 1.1526886823496787
Energy: 1.0838540382228037
Energy: 1.1040052448234114
Energy: 1.083854038222051
Energy: 0.9508401314287745
Energy: 0.9485013903627617
Energy: 1.1760918064822234
Energy: 0.9485013903627617
Energy: 0.9467830445010262
Energy: 0.9469914876388696
Energy: 1.0727780136260785
Energy: 0.9469914876388696
Energy: 0.9486531178078991
Energy: 0.9482732799755949
Energy: 1.0372447385389387
Energy: 0.9482732799755949
Energy: 1.1078147067522015
Energy: 0.9473060702532792
Energy: 1.172606072628013
Energy: 0.9473060702532792
Energy: 1.1673266873150592
Energy: 1.0042145485637937
Energy: 1.132088977087358
Energy: 1.0042145485637937
Energy: 1.1679932437536178
Energy: 0.9691428016809168
Energy: 0.9719689805558444
Energy: 0.9691428016809168
Energy: 1.162474781756035
Energy: 0.9685781692216345
Energy: 0.9726633054188951
Energy: 0.9685781692216345
Energy: 1.0398540126761704
Energy: 0.9636974165034781
Energy: 0.9676503630971337
Energy: 0.9636974165042309

minimum gb energy = 0.9385330404531735 eV
minimum distance =  2.28625779459879 Angstroms
sigma value = 1


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

Energy: 1.3002049940810014
Energy: 0.8956971880290973
Energy: 0.9248516528234139
Energy: 0.920392706053524
Energy: 0.9430189882863708
Energy: 0.9314705898969429
Energy: 1.110535292697409
Energy: 0.9314705898969429
Energy: 1.1012656039536146
Energy: 1.021095854299218
Energy: 1.103742064486247
Energy: 1.021095854299218
Energy: 0.9407025195626568
Energy: 0.9208858546127499
Energy: 1.1099765073343721
Energy: 0.9208858546148317
Energy: 1.0942967966224169
Energy: 0.9234507056401637
Energy: 1.1000992637907914
Energy: 0.9234507056401637
Energy: 0.9223038099437902
Energy: 0.9237049100676424
Energy: 1.0998929567171019
Energy: 0.9237049100676424
Energy: 0.920746464198756
Energy: 0.9183647669755798
Energy: 1.1996843661395133
Energy: 0.9183647669755798
Energy: 0.9236863217703598
Energy: 0.9726637107225926
Energy: 1.2454306076487875
Energy: 0.9726637107236336
Energy: 1.1092925945727343
Energy: 0.9689173391455679
Energy: 1.2476341156475241
Energy: 0.9689173391455679
Energy: 1.1033588647468175
Energy: 0.975130467119715
Energy: 0.9328211097725954
Energy: 0.9751304671207558
Energy: 1.1110785099813885
Energy: 0.9175054242938604
Energy: 0.9166681859058473
Energy: 0.9175054242938604
Energy: 1.2368582605720273
Energy: 0.9329246108949459
Energy: 0.9335643691556558
Energy: 0.9329246108949459
Energy: 1.251650656119625
Energy: 0.9190913656506766
Energy: 1.0954492535453575
Energy: 0.9190913656506766
Energy: 1.200567406007778
Energy: 0.9204471981806962
Energy: 1.113256874110221
Energy: 0.9204471981806962
Energy: 0.9433942505126837
Energy: 1.0198898379794228
Energy: 1.1122106567056778
Energy: 1.0198898379794228
Energy: 0.9452709728474877
Energy: 0.9203306495839381
Energy: 1.2022548284510723
Energy: 0.9203306495839381
Energy: 0.9204745554369207
Energy: 0.9190512970358405
Energy: 1.101842022603165
Energy: 0.9190512970358405
Energy: 0.9341731661955879
Energy: 0.9223469639262449
Energy: 1.1019242994937992
Energy: 0.922346963925204
Energy: 0.9207175350516685
Energy: 0.9184757498621654
Energy: 1.2470574103480254
Energy: 0.9184757498621654
Energy: 0.9247734966150717
Energy: 0.973507000960565
Energy: 1.2448050596165883
Energy: 0.973507000960565
Energy: 1.1006573530609034
Energy: 0.9714902611369247
Energy: 1.200176995473332
Energy: 0.9714902611369247
Energy: 1.1012805604120033
Energy: 0.9240262712342598
Energy: 0.9351082899568914
Energy: 0.9240262712342598
Energy: 1.2004844536682613
Energy: 0.9197966448183352
Energy: 0.934597243546351
Energy: 0.9197966448183352
Energy: 1.249178116446756
Energy: 0.9190469827044324
Energy: 0.918520943640074
Energy: 0.9190469827044324

minimum gb energy = 0.8956971880290973 eV
minimum distance =  2.3008291208177 Angstroms
sigma value = 17


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

Energy: 1.316322955053045
Energy: 0.8872033776270859
Energy: 1.1234924682110983
Energy: 0.9082722970215449
Energy: 0.9463200450096997
Energy: 0.9122771003702907
Energy: 1.0346771757061637
Energy: 0.9122771003702907
Energy: 1.1235769584904802
Energy: 0.908909803210904
Energy: 1.0338083817385877
Energy: 0.908909803210904
Energy: 1.1408014885830295
Energy: 0.9574817371537921
Energy: 1.014020784288447
Energy: 0.9574817371537921
Energy: 1.120468921955906
Energy: 0.8895805435903784
Energy: 1.2333835609078267
Energy: 0.8895805435903784
Energy: 0.9006184854792648
Energy: 0.9004677635554841
Energy: 1.2133875062744337
Energy: 0.9004677635548407
Energy: 0.8914584135138094
Energy: 0.8889750781151418
Energy: 0.9325427569444608
Energy: 0.8889750781151418
Energy: 0.8907879884264492
Energy: 0.8898639245847307
Energy: 1.3079489849951547
Energy: 0.8898639245847307
Energy: 1.2084502674000728
Energy: 0.8901949541169698
Energy: 1.0236204156938478
Energy: 0.8901949541169698
Energy: 1.0323436857030472
Energy: 0.9585758894123996
Energy: 1.0333811070175172
Energy: 0.9585758894130431
Energy: 1.2069295549333898
Energy: 0.9015949476941676
Energy: 0.9147390736798591
Energy: 0.9015949476768247
Energy: 1.2108301351167219
Energy: 0.9133577338165018
Energy: 1.0252985551715628
Energy: 0.9133577338171452
Energy: 1.2225193491999735
Energy: 0.9009626211815742
Energy: 0.9014289365681788
Energy: 0.9009626211815742
Energy: 1.030243622010616
Energy: 0.9030302448635588
Energy: 0.9132867971656387
Energy: 0.9030302448635588
Energy: 1.1361025754159773
Energy: 0.9080042054062515
Energy: 0.9123739680514564
Energy: 0.9080042054062515
Energy: 1.2985578261412278
Energy: 0.903382660183889
Energy: 1.0319597881971856
Energy: 0.9033826601864626
Energy: 0.9247016120509972
Energy: 0.9089596236297263
Energy: 1.2263532455175323
Energy: 0.9089596236303696
Energy: 0.906632433117847
Energy: 0.9013133133003233
Energy: 1.2666187480199145
Energy: 0.9013133133003233
Energy: 0.9192488035379366
Energy: 0.9189460699408057
Energy: 1.009846996974356
Energy: 0.9189460699414491
Energy: 1.0347746291261652
Energy: 0.9027942396965041
Energy: 1.3038345587932614
Energy: 0.9027942396971474
Energy: 1.0368103684145562
Energy: 0.9112239409361659
Energy: 1.0440749725699465
Energy: 0.9112239409361659
Energy: 1.0332794852435878
Energy: 0.9092647380034137
Energy: 1.1265604408452916
Energy: 0.9092647380034137
Energy: 0.9241434442437442
Energy: 0.9595611925440721
Energy: 1.1380108890591527
Energy: 0.9595611925440721
Energy: 1.2360204526330991
Energy: 0.8885771455642122
Energy: 1.0028438879400967
Energy: 0.8885771455635687
Energy: 1.2113486727731555
Energy: 0.8913100595059216
Energy: 0.8978089809887861
Energy: 0.8913100595059216
Energy: 0.9348447500829791
Energy: 0.8885005014596133
Energy: 0.888275242170366
Energy: 0.8885005014596133
Energy: 1.2918301365132963
Energy: 0.890802049276547
Energy: 0.8928274327100255
Energy: 0.890802049276547
Energy: 0.9172705440724105
Energy: 0.88960040887211
Energy: 1.2117654207414057
Energy: 0.88960040887211
Energy: 1.0315877132397233
Energy: 0.9602295280148759
Energy: 1.0296259491577184
Energy: 0.9602295280161628
Energy: 0.9162682680797024
Energy: 0.902290144511693
Energy: 1.2062675973981989
Energy: 0.902290144511693
Energy: 1.0148610960891795
Energy: 0.9095974133785893
Energy: 1.219967975455739
Energy: 0.9095974133792327
Energy: 0.9013904390278609
Energy: 0.9020596832876709
Energy: 1.221249673849503
Energy: 0.9020596832876709
Energy: 0.9089265295804165
Energy: 0.9019077555264231
Energy: 1.038384510957351
Energy: 0.9019077555264231
Energy: 0.9145452238262685
Energy: 0.9089988965409087
Energy: 1.1393776469374277
Energy: 0.9089988965409087
Energy: 1.03300777934498
Energy: 0.9021074067480344
Energy: 1.2971700031835338
Energy: 0.9021074067480344
Energy: 1.2258580477810486
Energy: 0.9100997473053799
Energy: 0.9229335887540114
Energy: 0.9100997473356203
Energy: 1.0335625118057201
Energy: 0.9005857053978484
Energy: 0.9014194702264554
Energy: 0.9005857053978484
Energy: 1.1221094562320717
Energy: 0.9112496019312505
Energy: 0.9207114504118008
Energy: 0.9112496019312505

minimum gb energy = 0.8872033776270859 eV
minimum distance =  2.30561108152641 Angstroms
sigma value = 89


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

Energy: 1.5932541296072218
Energy: 0.8443918090856302
Energy: 0.839569654379549
Energy: 0.8368239737478419
Energy: 0.8244135117260672
Energy: 0.9161285592229854
Energy: 0.8432190616917882
Energy: 0.9161285592229854
Energy: 0.8392621537160374
Energy: 0.9202848073717842
Energy: 0.8470421677525747
Energy: 0.9202848073717842
Energy: 0.8209410568089051
Energy: 0.9140130992967065
Energy: 0.8420133360789783
Energy: 0.9140130992967065
Energy: 0.8272782405490149
Energy: 0.8330267294292104
Energy: 0.8365742882386649
Energy: 0.8330267294292104
Energy: 0.8321890862190588
Energy: 0.8417999839369703
Energy: 0.8366448556673693
Energy: 0.8417999839369703
Energy: 0.8312581024869241
Energy: 0.8326955600840453
Energy: 0.8420141859401327
Energy: 0.8326955600840453
Energy: 0.8352499881076201
Energy: 0.8349331662709311
Energy: 0.8211296069581051
Energy: 0.8349331662709311
Energy: 0.840921649493267
Energy: 0.8338687893630881
Energy: 0.8264169224241424
Energy: 0.8338687893630881
Energy: 0.8439683689045415
Energy: 0.9146604976344869
Energy: 0.8402106450536393
Energy: 0.9146604976344869
Energy: 0.8406689326950827
Energy: 0.9172563094741775
Energy: 0.8188874644476299
Energy: 0.9172563094741775
Energy: 0.8367747983008711
Energy: 0.8410523477489908
Energy: 0.8297576216602115
Energy: 0.8410523477489908
Energy: 0.8367400670110113
Energy: 0.8334624390270547
Energy: 0.8328925197680834
Energy: 0.8334624390270547
Energy: 0.8538962069891023
Energy: 0.8364092422988512
Energy: 0.841421936448283
Energy: 0.8364092422988512
Energy: 0.829920076761639
Energy: 0.8429594913789266
Energy: 0.8316739967476916
Energy: 0.8429594913789266

minimum gb energy = 0.8188874644476299 eV
minimum distance =  2.31548333324459 Angstroms
sigma value = 13


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

Energy: 1.4024498323318448
Energy: 0.7766822146179784
Energy: 1.0392982096352499
Energy: 0.7818892918222332
Energy: 1.222984027715545
Energy: 0.7831712447870423
Energy: 0.9057683469137499
Energy: 0.7831712447870423
Energy: 1.2251306016438486
Energy: 0.7787293227838891
Energy: 0.9059295857372401
Energy: 0.7787293227838891
Energy: 1.0245672016634955
Energy: 0.7751796948353529
Energy: 1.0259955404065806
Energy: 0.7751796948353529
Energy: 1.0311738473801877
Energy: 0.7796181941897641
Energy: 1.1253127875334796
Energy: 0.7796181941897641
Energy: 0.9052093577189239
Energy: 0.7788114096410483
Energy: 1.1219694737633528
Energy: 0.7788114096410483
Energy: 0.9043801016936381
Energy: 0.7757341759220271
Energy: 1.0247327978589829
Energy: 0.7757341759220271
Energy: 0.8962577969501617
Energy: 0.7773093604391089
Energy: 1.134125962467857
Energy: 0.7773093604391089
Energy: 0.7888938177968673
Energy: 0.7805223728666122
Energy: 1.12158863690128
Energy: 0.7805223728666122
Energy: 0.7824134625209046
Energy: 0.7739707723683168
Energy: 1.1183864951937326
Energy: 0.7739707723683168
Energy: 0.7792425855054322
Energy: 0.7770076150635908
Energy: 1.2408890044307785
Energy: 0.7770076150635908
Energy: 1.122231029311352
Energy: 0.827299095509485
Energy: 1.0326320139986653
Energy: 0.827299095509485
Energy: 1.124453765537123
Energy: 0.8255800748226919
Energy: 1.1214375730604078
Energy: 0.8255800748226919
Energy: 1.1176559704606268
Energy: 0.8270060102457324
Energy: 1.0240522732928325
Energy: 0.8270060102457324
Energy: 1.131695290694995
Energy: 0.7843526679428084
Energy: 1.0262330317803883
Energy: 0.7843526679428084
Energy: 1.1268645136208773
Energy: 0.7794846272280183
Energy: 0.7829340994079123
Energy: 0.7794846272280183
Energy: 1.1130494465749778
Energy: 0.7798939704316291
Energy: 0.7828706834618719
Energy: 0.7798939704316291
Energy: 1.2359011153865622
Energy: 0.7806056607549927
Energy: 0.7838774698003079
Energy: 0.7806056607549927
Energy: 1.0204674438379655
Energy: 0.7848978353681811
Energy: 0.8977329687603333
Energy: 0.7848978353681811
Energy: 1.1192041739908611
Energy: 0.7742599838045843
Energy: 0.9060526886973708
Energy: 0.7742599838045843
Energy: 1.0280750211775536
Energy: 0.7764821084661403
Energy: 0.8944426007025229
Energy: 0.7764821084654346
Energy: 1.1188430404174579
Energy: 0.7784261030901801
Energy: 1.1227906838894945
Energy: 0.7784261030908858
Energy: 0.9056432578138791
Energy: 0.7810824356018811
Energy: 1.1284404049527832
Energy: 0.7810824356025867
Energy: 0.7844202175818207
Energy: 0.7754550970213259
Energy: 1.026217160814921
Energy: 0.7754550970213259
Energy: 0.8921132694626395
Energy: 0.7749688561413285
Energy: 1.1298508754117902
Energy: 0.774968856140623
Energy: 0.7735434318528545
Energy: 0.7745488457415013
Energy: 1.1260444816320099
Energy: 0.774548845742207
Energy: 0.7727831598803483
Energy: 0.7737355686482219
Energy: 1.1169735580200637
Energy: 0.7737355686482219
Energy: 0.7892162679497572
Energy: 0.7790689217015855
Energy: 1.2353010081904703
Energy: 0.7790689217015855
Energy: 1.118913312550806
Energy: 0.7762826195862875
Energy: 1.0192894245406727
Energy: 0.7762826195862875
Energy: 0.9050905659349863
Energy: 0.8271088437985837
Energy: 1.110953748194243
Energy: 0.8271088437985837
Energy: 1.1132933431731407
Energy: 0.829871567771535
Energy: 1.0285669137842095
Energy: 0.8298715677722406
Energy: 1.126138983914537
Energy: 0.7814052363176792
Energy: 1.0274805371839888
Energy: 0.7814052363176792
Energy: 1.1325118695281402
Energy: 0.7844901804861691
Energy: 0.7859416876512754
Energy: 0.7844901804861691
Energy: 1.195305727130556
Energy: 0.7750142145537727
Energy: 0.7802623319969284
Energy: 0.7750142145537727
Energy: 0.9990814003537181
Energy: 0.7760626318376287
Energy: 0.7797057134489536
Energy: 0.7760626318376287

minimum gb energy = 0.7727831598803483 eV
minimum distance =  2.32339468028275 Angstroms
sigma value = 37


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

Energy: 1.224044196524262
Energy: 0.7136010595845109
Energy: 0.7231914305155669
Energy: 0.7241699417975481
Energy: 1.1240097466593728
Energy: 0.7205993498111184
Energy: 0.9241494702958392
Energy: 0.7205993498099044
Energy: 1.2017163719383048
Energy: 0.7217655135283648
Energy: 0.9242209941685886
Energy: 0.7217655135271508
Energy: 1.2019921389945518
Energy: 0.9872553799108096
Energy: 1.0455437154512641
Energy: 0.9872553799108096
Energy: 1.1215746396765742
Energy: 0.7060488335654513
Energy: 1.0138999507709874
Energy: 0.7060488335654513
Energy: 0.8181186739372548
Energy: 0.7084909037803235
Energy: 1.0151148258811329
Energy: 0.7084909037803235
Energy: 0.8184534899483423
Energy: 0.7078698753597901
Energy: 1.1055788801425488
Energy: 0.707869875361004
Energy: 0.9152234767876928
Energy: 0.7035261254926922
Energy: 1.2056519674818769
Energy: 0.7035261254926922
Energy: 0.8030250637775833
Energy: 0.7079880194000275
Energy: 1.2050018189112504
Energy: 0.7079880194000275
Energy: 0.8030783533482727
Energy: 0.7005564984626735
Energy: 1.1020954823575644
Energy: 0.7005564984626735
Energy: 0.8358747909503618
Energy: 0.8354720273395241
Energy: 1.2321130195862002
Energy: 0.8354720273395241
Energy: 1.0040179627740744
Energy: 0.7001310022809569
Energy: 1.1021704334308648
Energy: 0.7001310022809569
Energy: 1.0070660056233294
Energy: 0.7000536371403923
Energy: 1.2019121232292895
Energy: 0.7000536371415925
Energy: 1.121255464855582
Energy: 0.9705249886180026
Energy: 1.2016308680667964
Energy: 0.9705249886786745
Energy: 1.0138999507709874
Energy: 0.8011176914385455
Energy: 1.106476141335742
Energy: 0.8011176914385455
Energy: 1.0151148258811329
Energy: 0.7958202760487939
Energy: 0.8178107706172152
Energy: 0.7958202760487939
Energy: 1.122553052990601
Energy: 0.9383449381806217
Energy: 0.8201014485834646
Energy: 0.9383449381806217
Energy: 1.2056519674818769
Energy: 0.7218591609178967
Energy: 0.8435767714538034
Energy: 0.7218591609178967
Energy: 1.2050018189112504
Energy: 0.720700607113308
Energy: 0.7294516107994985
Energy: 0.720700607113308
Energy: 1.1228467601098864
Energy: 0.7215591300794629
Energy: 0.7229327775847356
Energy: 0.7215591300794629

minimum gb energy = 0.7000536371403923 eV
minimum distance =  2.31410859385729 Angstroms
sigma value = 25


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

Energy: 1.2812764709499982
Energy: 0.6239369130199762
Energy: 0.6278153635451964
Energy: 0.6272996664102011
Energy: 1.267593804243469
Energy: 0.6230748473695426
Energy: 0.7880182178844934
Energy: 0.6230748473695426
Energy: 1.2669208226897697
Energy: 0.6231734338150128
Energy: 0.7884203843681548
Energy: 0.6231734338150128
Energy: 0.9495102741315266
Energy: 0.6192851738806359
Energy: 0.9561138579122058
Energy: 0.6192851738806359
Energy: 1.2744972955647333
Energy: 0.6924423484752918
Energy: 1.1109198546923351
Energy: 0.6924423484733959
Energy: 0.9438819491254493
Energy: 0.6892080787946168
Energy: 1.1083077551133151
Energy: 0.6892080787946168
Energy: 0.9462458191053437
Energy: 0.6913258742636198
Energy: 1.2744146907184295
Energy: 0.6913258742626719
Energy: 0.95609154206837
Energy: 0.6191278376719151
Energy: 1.1126936386931152
Energy: 0.6191278376719151
Energy: 0.7833680202505718
Energy: 0.6173153444154593
Energy: 1.2795312512804156
Energy: 0.6173153444154593
Energy: 0.7870536971995084
Energy: 0.6182172609815558
Energy: 1.2764629828485785
Energy: 0.6182172609815558
Energy: 0.6264501246674795
Energy: 0.6236573128209872
Energy: 1.1166012266742416
Energy: 0.6236573128209872
Energy: 0.6296932123212929
Energy: 0.6183948408381279
Energy: 1.2761176300500379
Energy: 0.6183948408381279
Energy: 0.6186413487906777
Energy: 0.617243899565268
Energy: 1.2673580681228787
Energy: 0.617243899565268
Energy: 0.7937349656899706
Energy: 0.6175976451882104
Energy: 1.2763484760722483
Energy: 0.6175976451882104
Energy: 0.7886473203389355
Energy: 0.6171226957544961
Energy: 1.2737509595324976
Energy: 0.6171226957544961
Energy: 0.7894188329265319
Energy: 0.6240196696881111
Energy: 1.270381837415459
Energy: 0.6240196696881111
Energy: 1.111115898347192
Energy: 0.6178207509117449
Energy: 1.2736129779950383
Energy: 0.6178207509467981
Energy: 0.7831751493136073
Energy: 0.6933419125850042
Energy: 1.1160327309376794
Energy: 0.6933419125850042
Energy: 1.107544603995814
Energy: 0.690468149847032
Energy: 0.9456298777874292
Energy: 0.69046814984798
Energy: 1.2766154752333194
Energy: 0.6900777071986196
Energy: 0.9438453512246755
Energy: 0.6900777071986196
Energy: 1.1176482082739727
Energy: 0.6209681543796443
Energy: 0.7895385222972445
Energy: 0.6209681543796443
Energy: 1.2755864853423802
Energy: 0.6166030217669777
Energy: 0.617657680262235
Energy: 0.6166030217679256
Energy: 1.2777892437598604
Energy: 0.6172645497501635
Energy: 0.780843016469046
Energy: 0.6172645497501635
Energy: 1.1130678100058256
Energy: 0.6203229519803842
Energy: 0.6247010720349195
Energy: 0.6203229519803842
Energy: 1.273727101166204
Energy: 0.6167882021497645
Energy: 0.6174413262080717
Energy: 0.6167882021497645
Energy: 1.2690289847382683
Energy: 0.6237528127139509
Energy: 0.6248683065973631
Energy: 0.6237528127139509

minimum gb energy = 0.6166030217669777 eV
minimum distance =  2.33014904663184 Angstroms
sigma value = 41


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

Energy: 1.3887162868907479
Energy: 0.5630032916449323
Energy: 0.8531720564382642
Energy: 0.5647697303825346
Energy: 1.3868545439841362
Energy: 0.5555456253147129
Energy: 0.6982718794438304
Energy: 0.5555456253147129
Energy: 1.3765125137514902
Energy: 0.5599611063225111
Energy: 0.6987180517762367
Energy: 0.5599611063225111
Energy: 1.1120353582221574
Energy: 0.5583716069991094
Energy: 0.9782969992393457
Energy: 0.5583716069991094
Energy: 1.382163450625112
Energy: 0.5537754102942374
Energy: 0.9704453036183042
Energy: 0.553775410292683
Energy: 1.105796538529072
Energy: 0.5563780371973553
Energy: 0.9681098097571359
Energy: 0.5563780371981326
Energy: 1.1091524074012193
Energy: 0.6179246701582709
Energy: 1.2445742160973359
Energy: 0.6179246701582709
Energy: 1.1152530295729755
Energy: 0.6204378405508933
Energy: 0.9742217125907449
Energy: 0.6204378405508933
Energy: 0.829590691798682
Energy: 0.5577807233700283
Energy: 1.2419903771898788
Energy: 0.557780723221658
Energy: 0.8292886329678923
Energy: 0.5544826982954421
Energy: 1.3830170309741774
Energy: 0.5544826982907791
Energy: 0.7022943441334439
Energy: 0.5609973424935775
Energy: 1.2541503398407543
Energy: 0.560997342473371
Energy: 0.6947219827370164
Energy: 0.5537247210879481
Energy: 1.3830649080985318
Energy: 0.5537247210879481
Energy: 0.6934003572374569
Energy: 0.5553275837911826
Energy: 1.3835695230290128
Energy: 0.5553275837911826
Energy: 0.5628995612747129
Energy: 0.558517967872117
Energy: 1.248199061313194
Energy: 0.558517967872117
Energy: 0.556296722671705
Energy: 0.5552531347881676
Energy: 1.38327425322279
Energy: 0.5552531347881676
Energy: 0.5600322543643332
Energy: 0.5567093444136701
Energy: 1.3788912419775048
Energy: 0.5567093444136701
Energy: 0.7033983575936529
Energy: 0.5562814259635028
Energy: 1.382455955050663
Energy: 0.5562814259635028
Energy: 0.6998182871945019
Energy: 0.5545508354778949
Energy: 1.3822154564418552
Energy: 0.5545508354778949
Energy: 0.6955335064669336
Energy: 0.5560722915938667
Energy: 1.108669694456189
Energy: 0.5560722915938667
Energy: 0.9727969079894843
Energy: 0.554719167060705
Energy: 1.1057488584694648
Energy: 0.5547191670614822
Energy: 0.9762965379376949
Energy: 0.5541529683619211
Energy: 1.2439352953125757
Energy: 0.5541529683487091
Energy: 0.9742825388231882
Energy: 0.6180579116009407
Energy: 1.111805343467896
Energy: 0.6180579116001635
Energy: 1.2416277358855563
Energy: 0.6142368316679558
Energy: 1.104734454014045
Energy: 0.6142368316679558
Energy: 0.9720466764442517
Energy: 0.6199884948822981
Energy: 0.9722595670041104
Energy: 0.619988494881521
Energy: 1.2464993207698762
Energy: 0.5543021968837427
Energy: 0.833861457544116
Energy: 0.5543021968845199
Energy: 1.2426032226621928
Energy: 0.5562732362943359
Energy: 0.9698001237955873
Energy: 0.5562732362935587
Energy: 1.2445222245418692
Energy: 0.5562914337032243
Energy: 0.695171626135184
Energy: 0.5562914337032243
Energy: 1.3821007801193652
Energy: 0.5545132923597298
Energy: 0.695644748564204
Energy: 0.5545132923597298
Energy: 1.2453787916975103
Energy: 0.5560185882996717
Energy: 0.6999070112421891
Energy: 0.5560185882996717
Energy: 1.243432056073683
Energy: 0.5567319993395656
Energy: 0.5566643964197175
Energy: 0.5567319993395656
Energy: 1.381618328577398
Energy: 0.5548850775148927
Energy: 0.5600610872695686
Energy: 0.5548850775148927
Energy: 1.3861470773831424
Energy: 0.5559257295476691
Energy: 0.5574244023863986
Energy: 0.5559257295476691

minimum gb energy = 0.5537247210879481 eV
minimum distance =  2.34865245134564 Angstroms
sigma value = 15


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

Energy: 1.230207779078656
Energy: 0.5154766992206363
Energy: 0.8159115554887699
Energy: 0.5110119253530074
Energy: 1.4614915269065187
Energy: 0.5081469050591997
Energy: 0.6302993570875942
Energy: 0.508146905059858
Energy: 1.4531044244539721
Energy: 0.5074910653116017
Energy: 0.6309538685605971
Energy: 0.5074910653116017
Energy: 1.2285013814788261
Energy: 0.5113628141039666
Energy: 0.8757108603341509
Energy: 0.5113628141046249
Energy: 1.455974105394691
Energy: 0.5064077868076104
Energy: 0.8632312225896118
Energy: 0.5064077868161694
Energy: 1.2200140438228895
Energy: 0.50663446392293
Energy: 0.8631557875618282
Energy: 0.5066344638919863
Energy: 0.9823019170360664
Energy: 0.5085732116961308
Energy: 1.1068089880881298
Energy: 0.5085732912172996
Energy: 1.22701414726197
Energy: 0.5620461310711402
Energy: 0.8662267399109734
Energy: 0.5620461310711402
Energy: 0.9812894735102234
Energy: 0.5584783618151771
Energy: 1.1011509527542107
Energy: 0.5584783618151771
Energy: 0.9802614470715832
Energy: 0.5632654052232356
Energy: 1.3361243436321664
Energy: 0.5632654052212606
Energy: 0.8733358960219296
Energy: 0.5105210363198497
Energy: 1.1102377570688542
Energy: 0.5105210363317004
Energy: 0.7435141248984356
Energy: 0.5068273708006378
Energy: 1.336679424549227
Energy: 0.5068273708006378
Energy: 0.865348990675008
Energy: 0.5077223591864721
Energy: 1.3356622954376043
Energy: 0.5077223591884472
Energy: 0.6331483990119183
Energy: 0.5115815033467527
Energy: 1.1062120036558791
Energy: 0.5115815033467527
Energy: 0.6267663755954747
Energy: 0.5070080002164392
Energy: 1.4595275493140638
Energy: 0.5070080002164392
Energy: 0.6308783533206469
Energy: 0.5119843885600726
Energy: 1.3382948331069526
Energy: 0.5119843885600726
Energy: 0.5139731536027546
Energy: 0.5101559862964792
Energy: 1.3419211751582074
Energy: 0.5101559862964792
Energy: 0.5075861495498266
Energy: 0.5068531068041991
Energy: 1.45701326256094
Energy: 0.5068531068035408
Energy: 0.5147641890334274
Energy: 0.5084142794746858
Energy: 1.2236222635859615
Energy: 0.5084142794746858
Energy: 0.6311880277006046
Energy: 0.5112699695916785
Energy: 1.4589234463756022
Energy: 0.5112699695916785
Energy: 0.6275103726496707
Energy: 0.5072620706220864
Energy: 1.4576468482014826
Energy: 0.5072620706220864
Energy: 0.633621514468438
Energy: 0.5105654668324303
Energy: 1.2269115644494273
Energy: 0.5105654668324303
Energy: 0.8646552018307095
Energy: 0.507734156815371
Energy: 1.2177897629522938
Energy: 0.507734156813396
Energy: 0.8644292753396801
Energy: 0.5066971877922714
Energy: 1.3394876674279619
Energy: 0.5066971877916129
Energy: 0.8717979953236754
Energy: 0.5105517957973518
Energy: 0.9882271908110407
Energy: 0.5105517957973518
Energy: 1.1002935436785677
Energy: 0.5622882910275818
Energy: 1.337990868907568
Energy: 0.5622882910295569
Energy: 0.8624880166387907
Energy: 0.5590395046036369
Energy: 1.1029729579719305
Energy: 0.5590395046029786
Energy: 1.1098875602419969
Energy: 0.5623404253912079
Energy: 0.9889317934728505
Energy: 0.5623404252931692
Energy: 1.1031115761798365
Energy: 0.5139116998173752
Energy: 1.106491129990542
Energy: 0.5139116998449971
Energy: 1.1005215297235567
Energy: 0.5070116251743115
Energy: 0.8648852996622051
Energy: 0.5070116251723364
Energy: 1.3436940613621469
Energy: 0.506923420409847
Energy: 0.7435440256728332
Energy: 0.506923420409847
Energy: 1.105234246856184
Energy: 0.5104453969517024
Energy: 0.8731270150443828
Energy: 0.5104453969517024
Energy: 1.335706795720469
Energy: 0.5077790650149147
Energy: 0.6301696159906813
Energy: 0.5077790650149147
Energy: 1.4596859635690396
Energy: 0.5081868250589263
Energy: 0.632709305308258
Energy: 0.5081868250589263
Energy: 1.3472252445900508
Energy: 0.5128491674757908
Energy: 0.6369631066539493
Energy: 0.5128491674757908
Energy: 1.4584135195891157
Energy: 0.5103216139979992
Energy: 0.512343263981875
Energy: 0.5103216139979992
Energy: 1.4514260074091354
Energy: 0.5095114433333714
Energy: 0.5094738627820168
Energy: 0.5095114433333714

minimum gb energy = 0.5064077868076104 eV
minimum distance =  2.34516221110032 Angstroms
sigma value = 85


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

Energy: 1.3625276338238606
Energy: 0.5900289178281272
Energy: 0.4581966505395605
Energy: 0.46192943953340215
Energy: 1.5017853993857093
Energy: 0.4574442794188233
Energy: 0.5655465989061114
Energy: 0.4574442794188233
Energy: 1.346234924392246
Energy: 0.4587374645627002
Energy: 0.5653245523422249
Energy: 0.4587374645627002
Energy: 1.1340876036081498
Energy: 0.4607864813051352
Energy: 0.7719900619856402
Energy: 0.4607864813045642
Energy: 1.398652334089066
Energy: 0.4556902894459886
Energy: 0.7716980016172131
Energy: 0.4556902894459886
Energy: 1.1365782066758172
Energy: 0.456640341453778
Energy: 0.7734381139588746
Energy: 0.45664034145434906
Energy: 1.1400271793175318
Energy: 0.45752610131948496
Energy: 0.9895420093508565
Energy: 0.4575261013114908
Energy: 1.1931284266176716
Energy: 0.45599028390900553
Energy: 0.822204746237589
Energy: 0.45599028389701435
Energy: 1.140203733548518
Energy: 0.4567035667028534
Energy: 0.9841490561097339
Energy: 0.4567035626424849
Energy: 1.1396840734841118
Energy: 0.5982095869379488
Energy: 1.1927732821991603
Energy: 0.5982095869048561
Energy: 0.9843344450857152
Energy: 0.4556122216114766
Energy: 1.0405545348702834
Energy: 0.4556122223808645
Energy: 0.9299429784530933
Energy: 0.4552723751273495
Energy: 1.1937631473205688
Energy: 0.45527237480316995
Energy: 0.9837950908800044
Energy: 0.45540778761767
Energy: 1.2430114994688424
Energy: 0.455407787661041
Energy: 0.7718986558709908
Energy: 0.4581369774448329
Energy: 1.033334529473725
Energy: 0.4581369774145952
Energy: 0.7187956572949967
Energy: 0.4552835476447018
Energy: 1.397493837205284
Energy: 0.45528354764355977
Energy: 0.7757564892796533
Energy: 0.4583564523053264
Energy: 1.242951879998839
Energy: 0.4583564523053264
Energy: 0.5640044525566306
Energy: 0.45562237178473836
Energy: 1.2458926092894251
Energy: 0.45562237178416737
Energy: 0.5635839426722834
Energy: 0.455908495362943
Energy: 1.4534642652653578
Energy: 0.455908495362943
Energy: 0.560757742015959
Energy: 0.45638633884006247
Energy: 1.4470588169529333
Energy: 0.45638633884006247
Energy: 0.5060739087307595
Energy: 0.4561457340321333
Energy: 1.4527273069892392
Energy: 0.4561457340321333
Energy: 0.5059245155866356
Energy: 0.4532091440365529
Energy: 1.5013256375852633
Energy: 0.4532091440365529
Energy: 0.5074257632879198
Energy: 0.4563310673898805
Energy: 1.293182383544865
Energy: 0.4563310673898805
Energy: 0.6153149180717536
Energy: 0.45652368034221175
Energy: 1.5002783075515222
Energy: 0.45652368034221175
Energy: 0.6154002939360433
Energy: 0.4550246768420337
Energy: 1.4966265107932948
Energy: 0.4550246768420337
Energy: 0.6126679242688432
Energy: 0.45542290942939834
Energy: 1.1338893604506706
Energy: 0.4554229094214042
Energy: 0.7710196614689897
Energy: 0.4554680111566816
Energy: 1.50301187272866
Energy: 0.4554680111566816
Energy: 0.7736764680356206
Energy: 0.4550298731451134
Energy: 1.3460263179443808
Energy: 0.4550298731451134
Energy: 0.8922838789350125
Energy: 0.45640530992631156
Energy: 1.1364348986668473
Energy: 0.4564053099268826
Energy: 0.9841575502967265
Energy: 0.454929144087217
Energy: 1.3530841178014403
Energy: 0.45492914390342876
Energy: 0.9831620578188233
Energy: 0.4549649607662871
Energy: 1.1381806093405762
Energy: 0.45496496077256826
Energy: 1.1979005805454717
Energy: 0.45499196607713494
Energy: 0.9269455381781286
Energy: 0.45499196707539513
Energy: 1.0360564732302862
Energy: 0.6296677223034596
Energy: 1.1562629536300546
Energy: 0.6296677223028885
Energy: 1.1931159550241208
Energy: 0.6700955583839229
Energy: 0.9269374687038432
Energy: 0.6700955583822099
Energy: 1.3984563492213444
Energy: 0.4562697691915162
Energy: 0.927283826727145
Energy: 0.45626972959509793
Energy: 1.0288080885139639
Energy: 0.45931644617918
Energy: 0.7714502021893532
Energy: 0.45931644617918
Energy: 1.3975690486022512
Energy: 0.4557652781743441
Energy: 0.7714642216422333
Energy: 0.4557652781760571
Energy: 1.447056615194433
Energy: 0.45674724682390067
Energy: 0.7723262574011491
Energy: 0.45674724682390067
Energy: 1.2411435158551234
Energy: 0.4566260360367845
Energy: 0.5605732750851437
Energy: 0.4566260360367845
Energy: 1.5027171904483823
Energy: 0.4558678702876995
Energy: 0.5614936762041655
Energy: 0.4558678702876995
Energy: 1.4503305118244396
Energy: 0.4592415543223744
Energy: 0.5655063892197916
Energy: 0.4592415543223744
Energy: 1.2450962912149752
Energy: 0.46018464517020874
Energy: 0.4580269160296346
Energy: 0.46018464517020874
Energy: 1.5011859560223706
Energy: 0.4558808818121235
Energy: 0.45654067557554034
Energy: 0.4558808818121235
Energy: 1.3484570146319448
Energy: 0.4582258968781365
Energy: 0.4583749114484293
Energy: 0.45822589687927856

minimum gb energy = 0.4532091440365529 eV
minimum distance =  2.33370277416477 Angstroms
sigma value = 113


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

Energy: 0.011083504780711777
Energy: 0.011770465039849104
Energy: 1.1855887555495788
Energy: 0.42489277904895323
Energy: 0.011944776349388737
Energy: 0.10867876838881568
Energy: 0.8752337914975562
Energy: 0.10867876838881568
Energy: 0.01169399411183562
Energy: 0.10880222625816009
Energy: 0.8679497229987353
Energy: 0.10880222625816009
Energy: 0.012676729274041384
Energy: 0.11127680000481255
Energy: 0.8731451102766782
Energy: 0.11127680000481255
Energy: 0.8685000995242007
Energy: 0.11015253470777918
Energy: 0.8717652965819823
Energy: 0.11015253470819375
Energy: 0.011648357908179452
Energy: 0.10864522470575473
Energy: 0.867377746526749
Energy: 0.10864522470575473

minimum gb energy = 0.011083504780711777 eV
minimum distance =  2.53369181730543 Angstroms
sigma value = 1