Model name: model_name=EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001
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=3.5878697186708446
cohesive_energy=3.5216930147876497
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=[1.53308276665875e-19, 2.2020475875359396e-19, 2.7200152715417997e-19, 3.1424291410959e-19, 3.4983046150399795e-19, 3.8035993726486796e-19, 4.0685353008469195e-19, 4.30045036861842e-19, 4.503910779370079e-19, 4.68264960465912e-19, 4.839839154220859e-19, 4.97794678007166e-19, 5.0989591812376795e-19, 5.20454262141828e-19, 5.2961550813504e-19, 5.37515841117294e-19, 5.44252993863264e-19, 5.49884644731774e-19, 5.54476482964818e-19, 5.58105413040828e-19, 5.60838726378432e-19, 5.62730896983186e-19, 5.6383479668401195e-19, 5.641936842500279e-19, 5.63809161857868e-19, 5.6257067931978595e-19, 5.60332438562088e-19, 5.569230066849359e-19, 5.52130896372642e-19, 5.45699759363766e-19, 5.373299886277499e-19, 5.26669105305114e-19, 5.13284521704678e-19, 4.96660336950294e-19, 4.76181315214506e-19, 4.511008421858699e-19, 4.2037910522892e-19, 3.8269911515050796e-19, 3.36524384558628e-19, 2.7989224707663e-19, 2.1025684403308797e-19, 1.242492786196902e-19, 1.74403335317436e-20, -1.1599935069589738e-19, -2.8428381323042396e-19, -4.987800166370759e-19, -7.75463103915804e-19, -1.137824188874316e-18, -1.6210182312158398e-18, -2.2793365883601e-18, -3.2005080440783996e-18, -4.53161241337194e-18, -6.52898193591438e-18, -9.64399783480254e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -5.69299980837746e-26 eV

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

Energy: 0.013787827217949177
Energy: 0.10366883939594845
Energy: 0.6245858200070858
Energy: 0.014299087632246963
Energy: 0.10366883939594845
Energy: 0.7442316847582695
Energy: 0.014299087631610228
Energy: 0.7442316847314909
Energy: 0.6245858200076873
Energy: 0.014299087632246963
Energy: 0.013787827218550541
Energy: 0.10366883939594845
Energy: 0.014299087632246963
Energy: 0.744231684745181
Energy: 0.10366883939594845
Energy: 0.7442316847314909

minimum gb energy = 0.013787827217949177 eV
minimum distance =  2.48405609070968 Angstroms
sigma value = 1


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

Energy: 1.2261043741939208
Energy: 0.8452244829321808
Energy: 0.8465909104502395
Energy: 0.7962150849860723
Energy: 0.8148167965901403
Energy: 0.8756788170143743
Energy: 0.8155235464279303
Energy: 0.8756788170143743
Energy: 0.8456742368962011
Energy: 0.8451872198236012
Energy: 0.8153760295469349
Energy: 0.8451872198236012
Energy: 0.8160178240028301
Energy: 0.8142635742483122
Energy: 0.8152172159945913
Energy: 0.8142635742483122
Energy: 0.8580026183985086
Energy: 0.8141766542828484
Energy: 0.8163645031759031
Energy: 0.8141766542828484
Energy: 0.8162639701359778
Energy: 0.9232159950674723
Energy: 0.815597016182352
Energy: 0.9232159950674723
Energy: 0.8599806835987952
Energy: 0.8845489036149526
Energy: 0.8574304501103661
Energy: 0.8845489036149526
Energy: 0.861074614546514
Energy: 0.8597511623128402
Energy: 0.8433296769750657
Energy: 0.8597511623120679
Energy: 0.8755667987513174
Energy: 0.9247855440878533
Energy: 0.876535377570087
Energy: 0.9247855440878533
Energy: 0.885823955427618
Energy: 0.9129351755515535
Energy: 0.8771109605453579
Energy: 0.9129351755515535
Energy: 0.8738387238125289
Energy: 0.9244269756642991
Energy: 0.8766970501883334
Energy: 0.9244269756642991
Energy: 0.8597384866552126
Energy: 0.9227872309866468
Energy: 0.8913040153439964
Energy: 0.9227872309866468
Energy: 0.8626519571429091
Energy: 0.884678641342866
Energy: 0.8340703236332558
Energy: 0.884678641342866
Energy: 0.8163074243149434
Energy: 0.8851311751420623
Energy: 0.8610159224642087
Energy: 0.8851311751428347
Energy: 0.8346159994354589
Energy: 0.8137849107302348
Energy: 0.8137475735240174
Energy: 0.8137849107302348
Energy: 0.7931714317646485
Energy: 0.8160945996072987
Energy: 0.814824585235389
Energy: 0.8160945996072987
Energy: 0.8457833547567538
Energy: 0.844924366826801
Energy: 0.7923172016415968
Energy: 0.844924366826801
Energy: 0.8153751440917889
Energy: 0.8146851378592652
Energy: 0.8343558348096165
Energy: 0.8146851378592652
Energy: 0.8148199971360373
Energy: 0.8453473448872977
Energy: 0.8478694941425952
Energy: 0.8453473448865254
Energy: 0.8166811682585798
Energy: 0.8141965707103427
Energy: 0.8156413386459587
Energy: 0.8141965707103427
Energy: 0.8149535706146367
Energy: 0.8156538104872212
Energy: 0.8581029413636021
Energy: 0.8156538104872212
Energy: 0.816037453665107
Energy: 0.81498317936318
Energy: 0.816233806972706
Energy: 0.81498317936318
Energy: 0.857710611122287
Energy: 0.8860968617727367
Energy: 0.8585190894093511
Energy: 0.8860968617719645
Energy: 0.8442612729960016
Energy: 0.8860248779233622
Energy: 0.8591563323847945
Energy: 0.8860248779241342
Energy: 0.8773565699306126
Energy: 0.925221695389364
Energy: 0.8755308690214821
Energy: 0.925221695389364
Energy: 0.8781058383475459
Energy: 0.922200026907614
Energy: 0.887687851999212
Energy: 0.922200026907614
Energy: 0.8762920974867445
Energy: 0.9241565814291675
Energy: 0.8748384175768701
Energy: 0.9241565814291675
Energy: 0.8889402675831438
Energy: 0.9237347879801302
Energy: 0.8817350504433564
Energy: 0.9237347879801302
Energy: 0.8342761293939084
Energy: 0.8843963704505667
Energy: 0.8806069977991177
Energy: 0.8843963704505667
Energy: 0.8608860334480453
Energy: 0.8862379289192052
Energy: 0.8176044598221455
Energy: 0.8862379289192052
Energy: 0.8134446911786676
Energy: 0.8140551075942064
Energy: 0.8339198863742474
Energy: 0.8140551075942064
Energy: 0.8145885854160545
Energy: 0.8153214069039623
Energy: 0.7930123796410518
Energy: 0.81532140690319
Energy: 0.7923705867320298
Energy: 0.8451396319434666
Energy: 0.8465987314844526
Energy: 0.8451396319434666

minimum gb energy = 0.7923172016415968 eV
minimum distance =  2.30802398915377 Angstroms
sigma value = 1


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

Energy: 1.3831570244773566
Energy: 0.8907739454568835
Energy: 0.8916089217670748
Energy: 0.8352614644715431
Energy: 0.857791781758719
Energy: 0.9199465216394345
Energy: 0.8577281285137889
Energy: 0.9199465216394345
Energy: 0.8902806933897721
Energy: 0.8909122625140228
Energy: 0.8571548684061734
Energy: 0.8909122625140228
Energy: 0.8598706844925986
Energy: 0.8573061864400421
Energy: 0.8574719593330354
Energy: 0.8573061864409226
Energy: 0.8583724868388206
Energy: 0.8578777782470959
Energy: 0.8573116903704953
Energy: 0.8578777782470959
Energy: 0.8601586523963626
Energy: 0.9559355091324095
Energy: 0.8583382551018772
Energy: 0.9559355091324095
Energy: 0.9129274132721438
Energy: 0.9402348744357893
Energy: 0.908852473089763
Energy: 0.9402348744357893
Energy: 0.9104649245529204
Energy: 0.942588854751176
Energy: 0.890738335198714
Energy: 0.9425888547520566
Energy: 0.9100305632919532
Energy: 0.9784782470672694
Energy: 0.9234427187231053
Energy: 0.9784782470672694
Energy: 0.8892215561957239
Energy: 0.9820875198051177
Energy: 0.9114104368941348
Energy: 0.9820875198051177
Energy: 0.884009945673803
Energy: 0.9395636539206965
Energy: 0.912748779248362
Energy: 0.9395636539206965
Energy: 0.9117327987968143
Energy: 0.941488956239865
Energy: 0.8608747636977647
Energy: 0.941488956239865
Energy: 0.8575415486444029
Energy: 0.8578419013233168
Energy: 0.882855678920864
Energy: 0.8578419013233168
Energy: 0.8582306491294104
Energy: 0.857463652078409
Energy: 0.8307800018052687
Energy: 0.8574636520792895
Energy: 0.8301333382426064
Energy: 0.8904374571867536
Energy: 0.8910915728005012
Energy: 0.8904374571867536
Energy: 0.8839677576508517
Energy: 0.8579176720414455
Energy: 0.8575856051494011
Energy: 0.8579176720414455
Energy: 0.8905059570590967
Energy: 0.8909456880759407
Energy: 0.8583984165100427
Energy: 0.8909456880759407
Energy: 0.8596958940468543
Energy: 0.8576097920811872
Energy: 0.8592975559370322
Energy: 0.8576097920811872
Energy: 0.8586424871763735
Energy: 0.8604390250033555
Energy: 0.8592351110636021
Energy: 0.8604390250033555
Energy: 0.859062758867441
Energy: 0.8583286282483708
Energy: 0.8596933851769264
Energy: 0.8583286282483708
Energy: 0.9098296294189755
Energy: 0.9419460658784105
Energy: 0.9084806644436548
Energy: 0.9419460658784105
Energy: 0.9088784435370714
Energy: 0.9413309986323191
Energy: 0.8875370072500862
Energy: 0.9413309986323191
Energy: 0.9103703054264786
Energy: 0.9792607092197517
Energy: 0.9238605799918856
Energy: 0.9792607092197517
Energy: 0.939000622280857
Energy: 0.9782149354613788
Energy: 0.9324656592713527
Energy: 0.9782149354622592
Energy: 0.8835864452420648
Energy: 0.9396130141199934
Energy: 0.9429028889729856
Energy: 0.9396130141199934
Energy: 0.9117526729015386
Energy: 0.9398001584385414
Energy: 0.8607916321973381
Energy: 0.9398001584385414
Energy: 0.8571144087123634
Energy: 0.8577354392484243
Energy: 0.8833450347573167
Energy: 0.8577354392484243
Energy: 0.8566909594776246
Energy: 0.8575825637085815
Energy: 0.8301606948968657
Energy: 0.8575825637085815
Energy: 0.8298821529336105
Energy: 0.8604068508251838
Energy: 0.8910579398702007
Energy: 0.8604068508251838

minimum gb energy = 0.8298821529336105 eV
minimum distance =  2.28109337809602 Angstroms
sigma value = 25


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

Energy: 1.3261267786864839
Energy: 0.9403392593566081
Energy: 0.9404176126846489
Energy: 0.8766001901405739
Energy: 0.908748357624416
Energy: 0.96806336673693
Energy: 0.9086248427109069
Energy: 0.96806336673693
Energy: 0.9398863144239994
Energy: 0.9407728574921929
Energy: 0.9062766257230035
Energy: 0.9407728574921929
Energy: 0.9100658127685343
Energy: 0.9077606898827344
Energy: 0.90871312011515
Energy: 0.9077606898827344
Energy: 0.9071077610474111
Energy: 0.9084459876961042
Energy: 0.9079676610964798
Energy: 0.9084459876961042
Energy: 0.9091753191556906
Energy: 0.9095988016597905
Energy: 0.9072407812796613
Energy: 0.9095988016597905
Energy: 0.9586142098417103
Energy: 1.0081484860763223
Energy: 0.9563953458981784
Energy: 1.0081484860763223
Energy: 0.9574659759324412
Energy: 1.009174440953822
Energy: 0.8864809897509021
Energy: 1.009174440953822
Energy: 0.958402910979187
Energy: 1.0074280078750026
Energy: 0.9432272509959212
Energy: 1.0074280078750026
Energy: 0.9112272927955295
Energy: 1.0082439542433053
Energy: 0.9078646447241018
Energy: 1.0082439542433053
Energy: 0.8701273461210102
Energy: 0.9073614318576737
Energy: 0.9079749489980842
Energy: 0.9073614318576737
Energy: 0.8705502660202431
Energy: 0.907562415318077
Energy: 0.9080641731040225
Energy: 0.9075624153170534
Energy: 0.9395721739260849
Energy: 0.9409135219933931
Energy: 0.8700430277026904
Energy: 0.9409135219933931
Energy: 0.9087063480567874
Energy: 0.9102341201290883
Energy: 0.9440302485160469
Energy: 0.9102341201290883
Energy: 0.9060237387779231
Energy: 0.9413827211488418
Energy: 0.9417299910165202
Energy: 0.9413827211488418
Energy: 0.9088216936564897
Energy: 0.907829346495398
Energy: 0.9099233313459545
Energy: 0.907829346495398
Energy: 0.9102554943050681
Energy: 0.9108944468852436
Energy: 0.9065714880783768
Energy: 0.9108944468852436
Energy: 0.9077059054191947
Energy: 0.9077106690939428
Energy: 0.9093520981954236
Energy: 0.9077106690939428
Energy: 0.9564171557748323
Energy: 1.0097630078903428
Energy: 0.9620712463644187
Energy: 1.0097630078903428
Energy: 0.8861855197068794
Energy: 1.0088572030783973
Energy: 0.9591826126616209
Energy: 1.0088572030783973
Energy: 0.9427856953331577
Energy: 1.0075314628996321
Energy: 0.9586580699765693
Energy: 1.0075314628996321
Energy: 0.9434885939917363
Energy: 1.0075059718650041
Energy: 0.9112857668512441
Energy: 1.0075059718650041
Energy: 0.9073895415427408
Energy: 0.9074354779319532
Energy: 0.8702623356983314
Energy: 0.9074354779319532
Energy: 0.9071935852754075
Energy: 0.9074991545735273
Energy: 0.8703952760816273
Energy: 0.9074991545735273
Energy: 0.869861325259641
Energy: 0.9098022658622517
Energy: 0.9406375588124944
Energy: 0.9098022658622517

minimum gb energy = 0.869861325259641 eV
minimum distance =  2.27609641268619 Angstroms
sigma value = 9


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

Energy: 1.2395266977031765
Energy: 0.9954051285166536
Energy: 0.9958989963196121
Energy: 0.9202702577453351
Energy: 0.9666587585559415
Energy: 1.0175162248510687
Energy: 0.966989440721716
Energy: 1.0175162248510687
Energy: 0.9954371484228112
Energy: 0.9955376286660956
Energy: 0.9945342242421535
Energy: 0.9955376286660956
Energy: 0.9620190237699047
Energy: 1.0177396041042301
Energy: 0.9676780177851486
Energy: 1.0177396041042301
Energy: 0.9630168105966338
Energy: 0.966579493859579
Energy: 0.9654517500329579
Energy: 0.9665794938608001
Energy: 0.96380202288483
Energy: 0.9683660154882444
Energy: 0.96794896217563
Energy: 0.9683660154882444
Energy: 1.0132363436242482
Energy: 1.083386414639821
Energy: 0.9670849408304576
Energy: 1.083386414639821
Energy: 0.9683697993718946
Energy: 1.081854935202394
Energy: 0.9731177133734215
Energy: 1.081854935202394
Energy: 0.9645596291303163
Energy: 0.9668362874555833
Energy: 0.9101958132538772
Energy: 0.9668362874555833
Energy: 0.967394034301703
Energy: 0.9667493277998734
Energy: 0.9106211407861096
Energy: 0.9667493277998734
Energy: 0.9093911654651446
Energy: 0.9952389226996026
Energy: 0.9945875161339872
Energy: 0.9952389226996026
Energy: 1.00829145190739
Energy: 0.9638535101136433
Energy: 0.9669564149005375
Energy: 0.9638535101136433
Energy: 0.9955375469787024
Energy: 0.9959446174475176
Energy: 0.9934580781161872
Energy: 0.9959446174475176
Energy: 0.9965335386682594
Energy: 0.9662215326888225
Energy: 0.9937358940808187
Energy: 0.9662215326888225
Energy: 0.9638187013328111
Energy: 0.9652128982742788
Energy: 0.9684242092773455
Energy: 0.9652128982742788
Energy: 0.9637464917583445
Energy: 0.9674798388809956
Energy: 0.9678743757528768
Energy: 0.9674798388809956
Energy: 1.009681991151487
Energy: 1.0839760864591488
Energy: 0.9664573686063599
Energy: 1.0839760864591488
Energy: 1.0084231018802676
Energy: 1.082870945928047
Energy: 0.9674737232802824
Energy: 1.082870945928047
Energy: 0.9642522807186824
Energy: 0.9669383573385915
Energy: 0.9102049295975365
Energy: 0.9669383573373705
Energy: 0.9676267195740867
Energy: 0.9675598720494631
Energy: 0.910416754579992
Energy: 0.9675598720494631
Energy: 0.9091519850382647
Energy: 0.9618439774012293
Energy: 0.9964530978999854
Energy: 0.9618439774012293

minimum gb energy = 0.9091519850382647 eV
minimum distance =  2.29783396934161 Angstroms
sigma value = 25


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

Energy: 1.1114623851072096
Energy: 1.0571290151371509
Energy: 1.0563751240003334
Energy: 0.9610708428375838
Energy: 1.0790762934345537
Energy: 1.029745396775313
Energy: 0.9785215351283195
Energy: 1.029745396775313
Energy: 1.0557450187625863
Energy: 1.056752094711891
Energy: 1.0529982827013635
Energy: 1.056752094711891
Energy: 1.057031052223259
Energy: 1.0301237846866271
Energy: 0.9792564945137069
Energy: 1.030123784685117
Energy: 0.9756347453738139
Energy: 1.0392845071625005
Energy: 0.979335621688981
Energy: 1.0392845071625005
Energy: 0.9540664156773773
Energy: 0.979167274444961
Energy: 0.9768396649615388
Energy: 0.979167274444961
Energy: 0.9497950836101687
Energy: 0.9782017396956867
Energy: 0.9802362751664426
Energy: 0.9782017396956867
Energy: 0.950068212376003
Energy: 1.031419285317289
Energy: 0.9816228665310205
Energy: 1.031419285317289
Energy: 1.055090878599325
Energy: 1.0564720221152675
Energy: 1.148224497417048
Energy: 1.0564720221152675
Energy: 1.0796158247351744
Energy: 0.95627765900014
Energy: 1.052238334696953
Energy: 0.95627765900014
Energy: 1.052532589393959
Energy: 1.0566255657955046
Energy: 1.0599427726423432
Energy: 1.0566255657955046
Energy: 1.0524065503026743
Energy: 1.0322685198000898
Energy: 1.0587998504165188
Energy: 1.0322685198000898
Energy: 0.9778022551303469
Energy: 0.9588195140108149
Energy: 0.9756552152448187
Energy: 0.9588195140108149
Energy: 0.9805608308282426
Energy: 0.9798840832947906
Energy: 0.9559989451425333
Energy: 0.9798840842577231
Energy: 0.981140434037705
Energy: 0.9791046004636534
Energy: 0.950195556513417
Energy: 0.9791046004636534
Energy: 0.9778243294015351
Energy: 1.084718619312342
Energy: 0.9501777349630163
Energy: 1.084718619312342
Energy: 1.150955359595801
Energy: 0.9551924287488935
Energy: 1.058684218684065
Energy: 0.9551924287488935

minimum gb energy = 0.9497950836101687 eV
minimum distance =  2.334670778458 Angstroms
sigma value = 17


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

Energy: 1.505866793541396
Energy: 1.15179158757145
Energy: 1.150130744838295
Energy: 1.092518094754532
Energy: 1.0193023990395176
Energy: 1.037124958702428
Energy: 1.1119778461014151
Energy: 1.037124958711835
Energy: 1.0341609450105858
Energy: 1.0342563543716115
Energy: 1.166104940209696
Energy: 1.0342563543716115
Energy: 1.0333130918129332
Energy: 1.0356043226497997
Energy: 1.044529996592228
Energy: 1.0356043226497997
Energy: 1.0346465023445244
Energy: 1.1139029246199674
Energy: 0.9777899320662883
Energy: 1.1139029246199674
Energy: 1.0362526387646789
Energy: 1.08546660276921
Energy: 1.0337720368280487
Energy: 1.08546660276921
Energy: 1.085230782509393
Energy: 1.0325237420606435
Energy: 1.033579369852699
Energy: 1.0325237420606435
Energy: 1.2403412625377952
Energy: 1.0469919289538399
Energy: 0.9973551582117506
Energy: 1.0469919289538399
Energy: 1.153114323851237
Energy: 1.1513897344328063
Energy: 1.0980039705004978
Energy: 1.1513897344328063
Energy: 1.1641288047163154
Energy: 1.110421923135563
Energy: 1.0428372431684554
Energy: 1.110421923135563
Energy: 1.0307656027218
Energy: 1.0009305923254854
Energy: 0.9940669260713787
Energy: 1.0009305923254854
Energy: 1.100836397598427
Energy: 0.9985801726499166
Energy: 0.9987249045992698
Energy: 0.9985801727396727
Energy: 1.0844716385223412
Energy: 1.0235342236494387
Energy: 1.0211846844829429
Energy: 1.0235342236494387
Energy: 1.085949076252746
Energy: 1.0232254073228337
Energy: 0.9948261407479391
Energy: 1.0232254073228337
Energy: 1.1544815959091466
Energy: 1.1024337236152535
Energy: 1.2107220531655667
Energy: 1.1024337236152535
Energy: 1.152956477290622
Energy: 1.152607354435402
Energy: 1.225794682901316
Energy: 1.152607354434547
Energy: 1.1626267775915446
Energy: 1.0334273187629128
Energy: 1.0346329819211961
Energy: 1.0334273187629128
Energy: 1.1628170579690698
Energy: 1.0338032619868245
Energy: 1.0311715793416918
Energy: 1.0338032619868245
Energy: 1.0334352690204995
Energy: 1.1133237936527915
Energy: 1.0331757774423171
Energy: 1.1133237936527915
Energy: 1.0648511985827918
Energy: 1.087121404158882
Energy: 1.033011033952043
Energy: 1.087121404158882
Energy: 1.0321079682198049
Energy: 1.0468500117548316
Energy: 1.1879894377912514
Energy: 1.0468500117539763
Energy: 1.0339180685122444
Energy: 1.0338564201381073
Energy: 1.0846252651379604
Energy: 1.0338564201381073
Energy: 1.1114302138931245
Energy: 1.1095078182831797
Energy: 1.1104289774948835
Energy: 1.1095078182831797
Energy: 1.0978224812862227
Energy: 1.1513502291030846
Energy: 1.1514329540321324
Energy: 1.1513502291030846
Energy: 0.997579798820794
Energy: 1.0226593856414146
Energy: 1.1658256070800495
Energy: 1.0226593856414146
Energy: 0.9980694911725014
Energy: 1.02084279515114
Energy: 1.0307274100558863
Energy: 1.02084279515114
Energy: 0.9936369225150663
Energy: 0.997474324506058
Energy: 1.0905228379633938
Energy: 0.997474324506058
Energy: 1.0018425210310546
Energy: 0.9981067078195988
Energy: 1.086529226716121
Energy: 0.9981067078195988
Energy: 0.9962546622807746
Energy: 1.0505678258878497
Energy: 1.0871841499609864
Energy: 1.0505678258869944
Energy: 1.1107786771665824
Energy: 1.1514055737571893
Energy: 1.14975884023511
Energy: 1.1514055737571893

minimum gb energy = 0.9777899320662883 eV
minimum distance =  2.29228173067371 Angstroms
sigma value = 53


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

Energy: 1.3735148865872577
Energy: 1.0882143773792758
Energy: 1.089394035189122
Energy: 0.9454995405858564
Energy: 1.0951381072611837
Energy: 1.0006261437874993
Energy: 1.0854723782662654
Energy: 1.0006261437874993
Energy: 1.0873563617370667
Energy: 1.0881125036247203
Energy: 1.1037928735606122
Energy: 1.0881125036247203
Energy: 1.0929273981268282
Energy: 1.0015391284610256
Energy: 1.0942198278391546
Energy: 1.0015391284610256
Energy: 1.089620067131324
Energy: 1.0007528498089453
Energy: 0.9346217200595405
Energy: 1.0007528498089453
Energy: 1.0924531745814559
Energy: 1.0048731846325731
Energy: 0.9449500056143977
Energy: 1.004873184634542
Energy: 1.2245714966807388
Energy: 1.0869992427293
Energy: 1.08496904292524
Energy: 1.0869992427293
Energy: 1.2233754138915194
Energy: 1.003685899543004
Energy: 1.0895800161703306
Energy: 1.003685899543004
Energy: 1.08705845926149
Energy: 1.0875673273673345
Energy: 1.104627135544431
Energy: 1.0875673273673345
Energy: 1.0925302871347555
Energy: 1.0037752536032003
Energy: 1.086599787353181
Energy: 1.0037752536032003
Energy: 1.088337134915837
Energy: 1.006279301453329
Energy: 0.9474197345087282
Energy: 1.006279301453329
Energy: 1.1006716919986974
Energy: 1.000330911526876
Energy: 0.9328025444766862
Energy: 1.000330911526876
Energy: 1.22357888678886
Energy: 1.0047420631067598
Energy: 1.0891839999945636
Energy: 1.0047420631067598

minimum gb energy = 0.9328025444766862 eV
minimum distance =  2.32460666118672 Angstroms
sigma value = 9


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

Energy: 1.3364995719637525
Energy: 1.205395596823307
Energy: 1.206826987293958
Energy: 1.1297322666525695
Energy: 1.014170415668694
Energy: 1.0127417198794555
Energy: 1.211906137547351
Energy: 1.012741719878727
Energy: 1.0181791816360675
Energy: 1.015472058633664
Energy: 1.198405687108925
Energy: 1.015472058633664
Energy: 1.0157059217326327
Energy: 1.0151445556602556
Energy: 1.276488991600416
Energy: 1.0151445556602556
Energy: 1.0125805120034024
Energy: 1.0124239945005595
Energy: 1.2759395983672925
Energy: 1.0124239945005595
Energy: 1.0119877593639846
Energy: 1.0127219680017796
Energy: 1.2762736379118198
Energy: 1.0127219680017796
Energy: 1.2079103947878655
Energy: 1.1992814054617824
Energy: 1.2102366102510307
Energy: 1.1992814054610539
Energy: 1.2073671126804881
Energy: 1.1190555521162646
Energy: 1.2005459477506482
Energy: 1.1190555521162646
Energy: 1.0677779977591022
Energy: 1.132723023353571
Energy: 1.082770727962641
Energy: 1.132723023353571
Energy: 1.009608165101796
Energy: 1.089880758409147
Energy: 1.2028734499336835
Energy: 1.089880758409147
Energy: 1.068434421744238
Energy: 1.0675013276102143
Energy: 1.120543988495285
Energy: 1.0675013276102143
Energy: 1.0731674005081844
Energy: 1.1353726728447966
Energy: 1.2789902560212185
Energy: 1.1353726728447966
Energy: 1.2075521484045786
Energy: 1.067377712447049
Energy: 1.0789375814478221
Energy: 1.067377712447049
Energy: 1.2076091703670573
Energy: 1.0684317699370856
Energy: 1.0725905295759688
Energy: 1.0684317699370856
Energy: 1.1993367501878374
Energy: 1.081284872826112
Energy: 1.0710483793584253
Energy: 1.081284872826112
Energy: 1.1526396744686689
Energy: 1.134586563263925
Energy: 1.0717125947768704
Energy: 1.134586563263925
Energy: 1.2018636328223977
Energy: 1.0162379043116039
Energy: 1.0704760501926711
Energy: 1.0162379043116039
Energy: 1.2049325996141445
Energy: 1.2015411081861769
Energy: 1.334527895488356
Energy: 1.2015411081861769
Energy: 1.2124428660036135
Energy: 1.0129920843669653
Energy: 1.0685782121370748
Energy: 1.0129920843669653
Energy: 1.2496757811251937
Energy: 1.0174648119092056
Energy: 1.0183808659393825
Energy: 1.0174648119092056
Energy: 1.2112951083417707
Energy: 1.014102245774515
Energy: 1.0142805440440978
Energy: 1.014102245774515
Energy: 1.2761004928668678
Energy: 1.0120272639147285
Energy: 1.0117997150955078
Energy: 1.0120272639147285
Energy: 1.2762519435440172
Energy: 1.013010542373596
Energy: 1.0117543370690003
Energy: 1.013010542373596
Energy: 1.2119585909076478
Energy: 1.1993485570500648
Energy: 1.2080468417967518
Energy: 1.1993485570500648
Energy: 1.1990402798170452
Energy: 1.1998388140004008
Energy: 1.2069679950371568
Energy: 1.1998388140004008
Energy: 1.0804147688536583
Energy: 1.1311938548966178
Energy: 1.0670146181533788
Energy: 1.1311938548973464
Energy: 1.2046071992215768
Energy: 1.0901739438618625
Energy: 1.0094349865719132
Energy: 1.0901739438625913
Energy: 1.1202546446612716
Energy: 1.0684202594695797
Energy: 1.067276275308766
Energy: 1.0684202594695797
Energy: 1.2775697073471568
Energy: 1.0709362980161699
Energy: 1.072820611083327
Energy: 1.0709362980161699
Energy: 1.0807551701699987
Energy: 1.068103039813417
Energy: 1.2071365860399332
Energy: 1.068103039813417
Energy: 1.0675268581027375
Energy: 1.0694999803830343
Energy: 1.197837116714443
Energy: 1.069499980383763
Energy: 1.0697496135816664
Energy: 1.0647898868552639
Energy: 1.1999478154705772
Energy: 1.0647898868559929
Energy: 1.072710166651775
Energy: 1.1382363310645567
Energy: 1.1224396831740542
Energy: 1.1382363310645567
Energy: 1.0688950494370204
Energy: 1.01595213377771
Energy: 1.1242466278699914
Energy: 1.01595213377771
Energy: 1.2774207146741652
Energy: 1.1997254967879853
Energy: 1.202760692928256
Energy: 1.1997254967879853

minimum gb energy = 1.0094349865719132 eV
minimum distance =  2.28768605828506 Angstroms
sigma value = 73


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

Energy: 1.4039372507577528
Energy: 1.1620005080708184
Energy: 1.1613276957223055
Energy: 1.0751146036062094
Energy: 1.034165505155026
Energy: 1.0308211559953702
Energy: 1.1474172537487637
Energy: 1.0308211559953702
Energy: 1.0312646348401389
Energy: 1.0318500010201517
Energy: 1.185683656199024
Energy: 1.0318500010201517
Energy: 1.0290612356387987
Energy: 1.0310404946467056
Energy: 1.26208946119373
Energy: 1.0310404946467056
Energy: 1.030995956315115
Energy: 1.032513888631998
Energy: 1.2064006160373508
Energy: 1.032513888631998
Energy: 1.0310590151075416
Energy: 1.0332867579476772
Energy: 1.2071135119084977
Energy: 1.0332867579488332
Energy: 1.0797439039413717
Energy: 1.180306379165577
Energy: 1.195475540777973
Energy: 1.180306379165577
Energy: 1.0769510384325098
Energy: 1.1815381574155581
Energy: 1.1804243093525646
Energy: 1.1815381574155581
Energy: 1.0719714933898328
Energy: 1.1485049941032388
Energy: 1.1838655283736343
Energy: 1.1485049941032388
Energy: 1.077478353294903
Energy: 1.0590695139037565
Energy: 1.1791211832133957
Energy: 1.0590695139037565
Energy: 1.0781289148722717
Energy: 1.015130934215507
Energy: 1.0148370707270082
Energy: 1.015130934215507
Energy: 1.0676122607258045
Energy: 1.0145203771495463
Energy: 1.2434291768176873
Energy: 1.0145203771495463
Energy: 1.1856676736880798
Energy: 1.0904542374838704
Energy: 1.0645597893528014
Energy: 1.0904542374838704
Energy: 1.18425138282263
Energy: 1.0744577163302187
Energy: 1.0680596195891174
Energy: 1.0744577163302187
Energy: 1.200362549226753
Energy: 1.0667547118404568
Energy: 1.0633407300787108
Energy: 1.0667547118404568
Energy: 1.206252608857525
Energy: 1.0642801586812358
Energy: 1.0641814328518444
Energy: 1.0642801586812358
Energy: 1.208361252702886
Energy: 1.13859350955713
Energy: 1.0702733175031114
Energy: 1.13859350955713
Energy: 1.1512787398123605
Energy: 1.1507271364606662
Energy: 1.0800310312405064
Energy: 1.1507271364606662
Energy: 1.1482320929659013
Energy: 1.1050568664717677
Energy: 1.0781482340664843
Energy: 1.1050568664717677
Energy: 1.1587410531816378
Energy: 1.1012527821799776
Energy: 1.1441506896158637
Energy: 1.1012527821799776
Energy: 1.1484970793319835
Energy: 1.103307973908769
Energy: 1.074898470279876
Energy: 1.103307973908769
Energy: 1.2043012257313668
Energy: 1.1456820230222702
Energy: 1.145201551966855
Energy: 1.1456820230234264

minimum gb energy = 1.0145203771495463 eV
minimum distance =  2.26379153014548 Angstroms
sigma value = 7


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

Energy: 1.691766418637511
Energy: 1.1699056331683189
Energy: 1.1691750330754536
Energy: 1.0838953664324418
Energy: 1.035970638841685
Energy: 1.0369352971040666
Energy: 1.1363688317216178
Energy: 1.0369352971040666
Energy: 1.0320465901824458
Energy: 1.033018480618636
Energy: 1.1728099805378447
Energy: 1.033018480618636
Energy: 1.0301855607642578
Energy: 1.0317439250133722
Energy: 1.252402835695258
Energy: 1.0317439250133722
Energy: 1.0353934106967602
Energy: 1.0353940605890088
Energy: 1.252656219790221
Energy: 1.0353940605890088
Energy: 1.093480659227961
Energy: 1.0418197808856549
Energy: 1.2311156639106036
Energy: 1.0418197808856549
Energy: 1.128029517994764
Energy: 1.0357459846421686
Energy: 1.0357835582753807
Energy: 1.035745984641351
Energy: 1.1431310668217372
Energy: 1.041020402537229
Energy: 1.0414105552303043
Energy: 1.041020402537229
Energy: 1.237539801829504
Energy: 1.0356826973561706
Energy: 1.0350935441549094
Energy: 1.0356826973561706
Energy: 1.2215159133035522
Energy: 1.0363034183326527
Energy: 1.0367924980675725
Energy: 1.0363034183326527
Energy: 1.2369631022706375
Energy: 1.1639587620298306
Energy: 1.0212770743309683
Energy: 1.1639587620298306
Energy: 1.1768357464710753
Energy: 1.1753284980713916
Energy: 1.1256671511188527
Energy: 1.1753284980713916
Energy: 1.1616765119335486
Energy: 1.1251043700476948
Energy: 1.0966267040950821
Energy: 1.1251043700476948
Energy: 1.1633988908042312
Energy: 1.0825197059209268
Energy: 1.0806754877237603
Energy: 1.0825197059209268
Energy: 1.174205472494668
Energy: 1.0412968959715567
Energy: 1.0820930150319292
Energy: 1.0412968959715567
Energy: 1.0344490174426075
Energy: 1.038906857709334
Energy: 1.0805624972181727
Energy: 1.038906857709334
Energy: 1.0347486197833602
Energy: 1.0450474410996706
Energy: 1.0998465728420639
Energy: 1.0450474410996706
Energy: 1.0637052260955382
Energy: 1.1078532547381665
Energy: 1.1739328820530002
Energy: 1.1078532547381665
Energy: 1.0678784600422466
Energy: 1.0693767140324328
Energy: 1.0954409345783134
Energy: 1.0693767140324328
Energy: 1.0690010790010154
Energy: 1.067748534131927
Energy: 1.033401748798923
Energy: 1.067748534131927
Energy: 1.0672739172755052
Energy: 1.0681251861250254
Energy: 1.2142775662783032
Energy: 1.0681251861250254
Energy: 1.1427478872575199
Energy: 1.0427489178596547
Energy: 1.0352955140634028
Energy: 1.0427489178596547
Energy: 1.1432985819815669
Energy: 1.0380854639473793
Energy: 1.0378901815176835
Energy: 1.0380854639473793
Energy: 1.2326154732172248
Energy: 1.0345508838436672
Energy: 1.0328875089769765
Energy: 1.0345508838436672
Energy: 1.2190028629342045
Energy: 1.0358181161596265
Energy: 1.0348884122628381
Energy: 1.0358181161596265
Energy: 1.2468138248555276
Energy: 1.0983170680589733
Energy: 1.0384975573228254
Energy: 1.098317068058156
Energy: 1.1695470822899028
Energy: 1.1480572825052957
Energy: 1.5045940037380872
Energy: 1.1480572825052957
Energy: 1.1362627185049583
Energy: 1.0990145152525617
Energy: 1.1397109687178095
Energy: 1.0990145152525617
Energy: 1.1329423418419886
Energy: 1.0945983229310672
Energy: 1.1315221643253777
Energy: 1.0945983229318847
Energy: 1.1441786954426103
Energy: 1.0966848904219941
Energy: 1.080583990509342
Energy: 1.0966848904211768
Energy: 1.0313608171341286
Energy: 1.1402449370413343
Energy: 1.1395930020969385
Energy: 1.1402449370413343

minimum gb energy = 1.0212770743309683 eV
minimum distance =  2.25117707344601 Angstroms
sigma value = 29


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

Energy: 0.9597515463206004
Energy: 1.1508379335025871
Energy: 0.9859458808487275
Energy: 0.9615566623698332
Energy: 0.9813491782756432
Energy: 1.0578348725218014
Energy: 0.9828787108620585
Energy: 1.0578348725218014
Energy: 0.9778524946549152
Energy: 1.0351242648635346
Energy: 0.9636469637167386
Energy: 1.0351242648635346
Energy: 0.9656631391100269
Energy: 0.9799741524720412
Energy: 0.9782188551240022
Energy: 0.9799741524720412
Energy: 0.9766672268724799
Energy: 0.9825862932501203
Energy: 0.9655210211515913
Energy: 0.9825862932504051
Energy: 0.9773552455268726
Energy: 1.0435711797601124
Energy: 0.9655270508871882
Energy: 1.0435711797601124
Energy: 0.9638927833422873
Energy: 1.0352741579486349
Energy: 0.9774203909978505
Energy: 1.0352741579486349
Energy: 0.982209974599723
Energy: 0.9843991581516975
Energy: 0.9660579684584774
Energy: 0.9843991581519507
Energy: 0.9656465581385865
Energy: 0.981085174707538
Energy: 0.9840408585693897
Energy: 0.981085174707538

minimum gb energy = 0.9597515463206004 eV
minimum distance =  2.29780392280545 Angstroms
sigma value = 5


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

Energy: 1.3743689865231319
Energy: 0.9622618170076309
Energy: 1.1102030948679111
Energy: 0.9479481392325328
Energy: 1.0448841928071115
Energy: 0.9630030686849165
Energy: 1.1258530741571486
Energy: 0.9630030686849165
Energy: 1.1209346062363033
Energy: 1.0359158344625479
Energy: 1.1285847463239471
Energy: 1.0359158344633201
Energy: 1.0533703070088902
Energy: 1.040048029241773
Energy: 1.1192726901136558
Energy: 1.040048029241773
Energy: 1.0470116263446174
Energy: 0.9610001115345468
Energy: 1.0581633924584302
Energy: 0.9610001115345468
Energy: 0.9614481679232348
Energy: 0.9633641783538953
Energy: 1.0585069901206634
Energy: 0.9633641783546675
Energy: 0.9590650542654977
Energy: 0.9589540860902104
Energy: 1.1200291364815933
Energy: 0.9589540860902104
Energy: 0.9685595202443081
Energy: 0.9636980865201962
Energy: 1.2065971404797602
Energy: 0.9636980865201962
Energy: 1.0870044684913693
Energy: 0.9984597683552539
Energy: 1.2004441302336457
Energy: 0.9984597683552539
Energy: 1.2076649413669935
Energy: 0.948051422827615
Energy: 0.9535894696986983
Energy: 0.948051422827615
Energy: 1.087570966930652
Energy: 0.945006392121329
Energy: 0.947829758713115
Energy: 0.945006392121329
Energy: 1.2043499710957575
Energy: 0.9545523345948532
Energy: 0.9440278026023272
Energy: 0.9545523345948532
Energy: 1.2035913589276777
Energy: 0.944696355084128
Energy: 0.9558912355264482
Energy: 0.944696355084128
Energy: 1.0008054793372112
Energy: 0.9359383665175398
Energy: 1.2004247676685984
Energy: 0.9359383665175398
Energy: 1.0193020102563224
Energy: 0.9366028938217293
Energy: 1.199208383132599
Energy: 0.9366028938217293
Energy: 1.0219233984577747
Energy: 0.9343578276444614
Energy: 0.9753135285740093
Energy: 0.9343578276444614
Energy: 1.0172609265748047
Energy: 0.9345744458491027
Energy: 0.9751076685036472
Energy: 0.9345744458498749
Energy: 1.1733178013579681
Energy: 0.9371631152338149
Energy: 0.9767040220459143
Energy: 0.9371631152338149
Energy: 1.1935551605361479
Energy: 1.0126972567562689
Energy: 0.9758216497267976
Energy: 1.01269725675318
Energy: 1.1706856518428437
Energy: 1.0832888070477165
Energy: 1.0524003409540856
Energy: 1.0832888070469442
Energy: 1.0598641937686752
Energy: 0.9810776865085414
Energy: 0.9793575836641288
Energy: 0.9810776865085414
Energy: 1.0576681458542752
Energy: 0.9663062255598068
Energy: 0.9657542314137777
Energy: 0.9663062255598068
Energy: 1.1600796897662
Energy: 0.9646200419779382
Energy: 0.9661177841926012
Energy: 0.9646200419779382
Energy: 1.2049058761884963
Energy: 0.9680888988284683
Energy: 0.9749148988452121
Energy: 0.9680888988292405
Energy: 1.2009578014568647
Energy: 1.0604927433514588
Energy: 0.9830754350724764
Energy: 1.0604927433514588
Energy: 0.9547170091760391
Energy: 0.9422802006334758
Energy: 1.2077399612208701
Energy: 0.9422802006334758
Energy: 0.9482128925734716
Energy: 0.9411267389934725
Energy: 1.0049436046053515
Energy: 0.9411267389927003
Energy: 0.9463076752642426
Energy: 0.9419821943405535
Energy: 0.9773370467243196
Energy: 0.9419821943405535
Energy: 0.9394958978244156
Energy: 0.9403321497003901
Energy: 1.2053515052345356
Energy: 0.9403321497003901
Energy: 1.1991069756229271
Energy: 0.9916761209219817
Energy: 0.9819738354710023
Energy: 0.9916761209212095
Energy: 1.199661558162576
Energy: 0.9600746477835151
Energy: 0.964309757624135
Energy: 0.9600746477842874
Energy: 1.105237640108041
Energy: 0.9594912677224651
Energy: 0.9635401358354017
Energy: 0.9594912677224651
Energy: 0.9661881566443461
Energy: 0.9591103423080559
Energy: 0.9600921103179827
Energy: 0.9591103423080559

minimum gb energy = 0.9343578276444614 eV
minimum distance =  2.26176464621708 Angstroms
sigma value = 1


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

Energy: 1.3649573854257975
Energy: 0.9132899109324012
Energy: 0.9170867168254392
Energy: 0.8874436098682186
Energy: 0.9160722062527139
Energy: 0.9145799475883796
Energy: 1.1093700124977992
Energy: 0.9145799475883796
Energy: 1.109534411456992
Energy: 1.0096307231627157
Energy: 1.1148650853807975
Energy: 1.0096307231627157
Energy: 0.933044201132548
Energy: 1.0100446975026027
Energy: 1.098127232694177
Energy: 1.0100446975026027
Energy: 0.9127499792436914
Energy: 0.9112815176994832
Energy: 1.1066386069798013
Energy: 0.9112815176984398
Energy: 0.9108382913147217
Energy: 0.9136449700756103
Energy: 1.1063643016493787
Energy: 0.9136449700756103
Energy: 0.9090347264995849
Energy: 0.9101133314821103
Energy: 1.0996399780058965
Energy: 0.9101133314810426
Energy: 0.9149249832273718
Energy: 0.9163271048790875
Energy: 1.25763032052258
Energy: 0.9163271048790875
Energy: 1.1015585661918488
Energy: 0.9664675491440172
Energy: 1.25826420677548
Energy: 0.9664675491440172
Energy: 1.1467959023625716
Energy: 0.9202841077307078
Energy: 0.9392084254945012
Energy: 0.9202841077307078
Energy: 1.100799542277809
Energy: 0.9103626673193859
Energy: 0.9095401058864495
Energy: 0.9103626673193859
Energy: 1.256413070757794
Energy: 0.9202967558517404
Energy: 0.9115739819753723
Energy: 0.9202967558517404
Energy: 1.2577255740351838
Energy: 0.91124906103231
Energy: 0.9112805337568769
Energy: 0.9112490610333778
Energy: 1.0976058966122055
Energy: 1.009165036544067
Energy: 1.11293283484784
Energy: 1.009165036544067
Energy: 0.9346379698533313
Energy: 1.0086827648140784
Energy: 1.1109936127491982
Energy: 1.0086827648140784
Energy: 0.9322598164853901
Energy: 0.9131585697743695
Energy: 1.0982134234484477
Energy: 0.9131585697743695
Energy: 0.911570484880151
Energy: 0.9153500899032873
Energy: 1.131377768892853
Energy: 0.9153500899032873
Energy: 0.9203509492878402
Energy: 0.9177352648410304
Energy: 1.096681472517464
Energy: 0.9177352648410304
Energy: 0.9093235955844906
Energy: 0.912057996820095
Energy: 1.258360331714241
Energy: 0.912057996820095
Energy: 0.9133453782909289
Energy: 0.9240567989864874
Energy: 1.2573537972755802
Energy: 0.9240567989864874
Energy: 1.1073318217401993
Energy: 0.9588627660916087
Energy: 0.9134373613529713
Energy: 0.9588627660916087
Energy: 1.13037182354096
Energy: 0.9128935958508977
Energy: 0.9157196969906429
Energy: 0.9128935958508977
Energy: 1.0985552534394896
Energy: 0.9106809626135691
Energy: 0.911098424275819
Energy: 0.9106809626135691
Energy: 1.2586615184454175
Energy: 0.9112944388949955
Energy: 0.9110344813395375
Energy: 0.9112944388949955

minimum gb energy = 0.8874436098682186 eV
minimum distance =  2.28088446143125 Angstroms
sigma value = 17


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

Energy: 1.44951128802087
Energy: 0.9038425027297672
Energy: 1.078075225782856
Energy: 0.8866683885930663
Energy: 0.9078276278967081
Energy: 0.9035317640124996
Energy: 1.0263133854992637
Energy: 0.9035317640118395
Energy: 1.176802451823267
Energy: 0.9022738320505381
Energy: 1.0459460558224694
Energy: 0.902273832051198
Energy: 1.1751515186043193
Energy: 0.9505465093391735
Energy: 1.0179587453642671
Energy: 0.9505465093391735
Energy: 1.0041662227490926
Energy: 0.8844744601671507
Energy: 1.0376980903839386
Energy: 0.8844744601671507
Energy: 0.885263884794939
Energy: 0.8841395219598986
Energy: 1.154261560039338
Energy: 0.8841395219598986
Energy: 0.8852178648460765
Energy: 0.883792354081223
Energy: 0.9160955490767698
Energy: 0.883792354081883
Energy: 0.8933608823269539
Energy: 0.8870699075529892
Energy: 0.8857858614591959
Energy: 0.8870699075529892
Energy: 1.1627845373198762
Energy: 0.8874230202276844
Energy: 1.1257228321776325
Energy: 0.8874230202283444
Energy: 1.043861857816939
Energy: 0.9543154683749976
Energy: 1.027091545447689
Energy: 0.9543154683749976
Energy: 1.1582123104271187
Energy: 0.8998626044983041
Energy: 0.9115442804916475
Energy: 0.8998626044983041
Energy: 1.011568513081103
Energy: 0.9050736372442647
Energy: 1.0187232513182856
Energy: 0.9050736372442647
Energy: 1.0031464470394815
Energy: 0.8990867379314791
Energy: 0.9003872256619776
Energy: 0.8990867379321391
Energy: 0.9011683362848586
Energy: 0.8990146731883217
Energy: 0.9011416116521666
Energy: 0.8990146731883217
Energy: 1.1716775288276866
Energy: 0.9020566932997497
Energy: 0.9079368100574123
Energy: 0.9020566932997497
Energy: 1.187727861687007
Energy: 0.9004649733719449
Energy: 0.9043296142828612
Energy: 0.9004649733712851
Energy: 0.8996885445855036
Energy: 1.0289665185740022
Energy: 1.0359228010873838
Energy: 1.0289665185733423
Energy: 0.8990585985098073
Energy: 0.8997035168536777
Energy: 1.1636864426282878
Energy: 0.8997035168536777
Energy: 0.918383356991182
Energy: 0.9017109672833986
Energy: 1.0208745760651872
Energy: 0.9017109672840586
Energy: 0.9010442627830607
Energy: 0.8994886680516507
Energy: 0.8894947136689078
Energy: 0.8994886680516507
Energy: 1.0500957698417523
Energy: 0.9018612585929727
Energy: 0.9182368932823302
Energy: 0.9018612585923127
Energy: 1.0475488630446992
Energy: 0.9036118910041708
Energy: 1.1735610700228785
Energy: 0.9036118909903121
Energy: 1.017908843279527
Energy: 0.9483926640277627
Energy: 1.1736868850101347
Energy: 0.9483926640277627
Energy: 1.0377857160206094
Energy: 0.8859054818589873
Energy: 1.0037569826442103
Energy: 0.8859054818589873
Energy: 1.1682194813785045
Energy: 0.8860243138464065
Energy: 0.8844590555959828
Energy: 0.8860243138464065
Energy: 1.0365450163389298
Energy: 0.8851046550816363
Energy: 0.8884396951800066
Energy: 0.8851046550816363
Energy: 0.8912626147886519
Energy: 0.8868980882412996
Energy: 0.8908753032358246
Energy: 0.8868980882412996
Energy: 1.0212403388375018
Energy: 0.8875637022440075
Energy: 1.1658714104945385
Energy: 0.8875637022440075
Energy: 1.0269010384879176
Energy: 0.9508631074153961
Energy: 1.0440974704604418
Energy: 0.9508631074147362
Energy: 0.9127855965456924
Energy: 0.8992862658104197
Energy: 1.0049529373483932
Energy: 0.8992862658104197
Energy: 1.01845714489748
Energy: 0.8993086888891296
Energy: 1.0122443748396093
Energy: 0.8993086888891296
Energy: 0.8993517630778856
Energy: 0.8991801840493157
Energy: 1.0116294782511923
Energy: 0.8991801840486556
Energy: 0.8992225641025684
Energy: 0.8981901518190515
Energy: 0.9020536829765472
Energy: 0.8981901518190515
Energy: 0.9077550140351655
Energy: 0.9038407634909916
Energy: 1.173178971132181
Energy: 0.9038407634909916
Energy: 0.906002038405219
Energy: 0.9307370881609853
Energy: 1.2053818319777625
Energy: 0.9307370881603252
Energy: 1.3138979392848429
Energy: 0.9049437618528899
Energy: 0.9287004913934499
Energy: 0.9049437618528899
Energy: 1.1599662568857136
Energy: 0.8989451769254302
Energy: 0.9003880990347561
Energy: 0.8989451769254302
Energy: 1.1264154358514202
Energy: 0.904085404083607
Energy: 0.9009685677434514
Energy: 0.904085404083607

minimum gb energy = 0.883792354081223 eV
minimum distance =  2.27025223331002 Angstroms
sigma value = 89


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

Energy: 1.5251145809079583
Energy: 0.8244367136562787
Energy: 0.82513183584467
Energy: 0.8480503868128155
Energy: 0.8241076988039987
Energy: 0.9025834856186016
Energy: 0.8239289980578135
Energy: 0.9025834856186016
Energy: 0.8155650110408729
Energy: 0.9034113718795118
Energy: 0.8414561615567595
Energy: 0.9034113718777852
Energy: 0.8164715210504279
Energy: 0.9041679285098623
Energy: 0.82205473376724
Energy: 0.9041679285098623
Energy: 0.8208127837417498
Energy: 0.8216737723092369
Energy: 0.8353629730064949
Energy: 0.8216737723092369
Energy: 0.8210783003986886
Energy: 0.8205947746629415
Energy: 0.8341926244348696
Energy: 0.8205947746646682
Energy: 0.8207036734816204
Energy: 0.8195335196680696
Energy: 0.8228694109623397
Energy: 0.8195335196680696
Energy: 0.8236992611286384
Energy: 0.8252749266808302
Energy: 0.8147805631548845
Energy: 0.8252749266808302
Energy: 0.8250180818329821
Energy: 0.8251911388229133
Energy: 0.81469642579936
Energy: 0.8251911388229133
Energy: 0.8399034961702476
Energy: 0.9057012808289991
Energy: 0.8389604759697188
Energy: 0.9057012808289991
Energy: 0.8228615924840552
Energy: 0.9060780139223711
Energy: 0.8137143030378003
Energy: 0.9060780139223711
Energy: 0.8337444210209004
Energy: 0.8271885740752718
Energy: 0.8242088065305507
Energy: 0.8271885740752718
Energy: 0.8357690204606714
Energy: 0.8230099275202574
Energy: 0.8209333511215803
Energy: 0.8230099275202574
Energy: 0.8225081981940549
Energy: 0.8191875060437472
Energy: 0.8191641387495701
Energy: 0.8191875060437472
Energy: 0.8144250297395447
Energy: 0.822024285522471
Energy: 0.8251730350994851
Energy: 0.822024285522471

minimum gb energy = 0.8137143030378003 eV
minimum distance =  2.29475396181065 Angstroms
sigma value = 13


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

Energy: 1.3559820739556565
Energy: 0.779033971576797
Energy: 0.9887613256374846
Energy: 0.7748218112270181
Energy: 0.9070517503015457
Energy: 0.7787296381066944
Energy: 0.9210975850526587
Energy: 0.7787296381066944
Energy: 0.7785537321488801
Energy: 0.7757423916954266
Energy: 0.9243923535750379
Energy: 0.7757423916954266
Energy: 1.0602803851621785
Energy: 0.779034037270843
Energy: 0.9111850327312705
Energy: 0.779034037270843
Energy: 0.9162818626797018
Energy: 0.7779666304325473
Energy: 1.1743629388929877
Energy: 0.7779666304325473
Energy: 0.9128095222500268
Energy: 0.7771057552002928
Energy: 1.1720021036796522
Energy: 0.7771057552002928
Energy: 0.9243519976686284
Energy: 0.7760747025206142
Energy: 0.9084747927689478
Energy: 0.7760747025198904
Energy: 0.7807531375769244
Energy: 0.7764465828086176
Energy: 1.1531991665372707
Energy: 0.7764465828086176
Energy: 0.7747351591992129
Energy: 0.7780654452715499
Energy: 0.9128655406002574
Energy: 0.7780654452722736
Energy: 0.7752259803285526
Energy: 0.7755122458433952
Energy: 0.9117968414362433
Energy: 0.7755122458433952
Energy: 0.7772989887919389
Energy: 0.7817325959759645
Energy: 1.3563807652996231
Energy: 0.7817325959759645
Energy: 0.9205213735001414
Energy: 0.7754932674721938
Energy: 0.9129940965763174
Energy: 0.7754932674721938
Energy: 1.0943869851955024
Energy: 0.8228504068206842
Energy: 0.907243061094332
Energy: 0.8228504068206842
Energy: 0.9110224913727604
Energy: 0.8250577908656128
Energy: 1.0619599422601134
Energy: 0.8250577908656128
Energy: 0.9141633678627429
Energy: 0.778314193661429
Energy: 0.9123567863573904
Energy: 0.778314193661429
Energy: 0.9154295605956879
Energy: 0.7769207523227405
Energy: 0.7787657191087961
Energy: 0.7769207523227405
Energy: 0.9116398309681777
Energy: 0.7757556388415398
Energy: 0.778553758281434
Energy: 0.7757556388415398
Energy: 1.2700947357116303
Energy: 0.7782845308494613
Energy: 0.7769976775647554
Energy: 0.7782845308487376
Energy: 1.0314897914763188
Energy: 0.7781147006637541
Energy: 0.9075738480889509
Energy: 0.7781147006637541
Energy: 0.9113360863387641
Energy: 0.7752643585803856
Energy: 0.9210887809877739
Energy: 0.7752643585811092
Energy: 1.059801842931259
Energy: 0.782214145741943
Energy: 0.9075606853525088
Energy: 0.782214145741943
Energy: 0.9111149633472602
Energy: 0.8332089498842721
Energy: 1.0760341956276362
Energy: 0.8332089498842721
Energy: 0.9146213957790494
Energy: 0.7789485391437669
Energy: 1.1751580011505245
Energy: 0.7789485391430432
Energy: 0.7794471995695987
Energy: 0.7744815536886347
Energy: 0.9116448935343376
Energy: 0.7744815536886347
Energy: 0.9095933936036268
Energy: 0.7763519658192669
Energy: 0.9129699352844072
Energy: 0.776351965818543
Energy: 0.7764200063586821
Energy: 0.7749307693689207
Energy: 0.9158357045655162
Energy: 0.7749307693689207
Energy: 0.7751115590190374
Energy: 0.7744093109460497
Energy: 1.0751158794632765
Energy: 0.7744093109460497
Energy: 0.7901111501743965
Energy: 0.778729051301634
Energy: 0.7790155486476699
Energy: 0.7787290513009102
Energy: 0.9067679760352253
Energy: 0.7782032770389025
Energy: 1.0506966949583512
Energy: 0.7782032770389025
Energy: 0.9199625036247874
Energy: 0.8253964949727584
Energy: 1.0723841063169652
Energy: 0.8253964949734822
Energy: 0.9117280043672694
Energy: 0.8231612322469498
Energy: 1.0610891840829169
Energy: 0.8231612322476737
Energy: 0.9151651440323039
Energy: 0.7760001724718173
Energy: 0.9066674376590886
Energy: 0.7760001724718173
Energy: 0.914647509880786
Energy: 0.7777224565329115
Energy: 0.7924288592491587
Energy: 0.7777224565329115
Energy: 1.0735977137018644
Energy: 0.7743068662245834
Energy: 0.7751216930126157
Energy: 0.7743068662245834
Energy: 1.0315245094886405
Energy: 0.7763593058300348
Energy: 0.7800505418784399
Energy: 0.7763593058293111

minimum gb energy = 0.7743068662245834 eV
minimum distance =  2.28943737880483 Angstroms
sigma value = 37


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

Energy: 1.3195572694602273
Energy: 0.7244851072032796
Energy: 0.724651206606413
Energy: 0.7151652748158654
Energy: 1.1566427068411018
Energy: 0.7232410167296468
Energy: 0.9594460350527962
Energy: 0.7232410167296468
Energy: 1.0536123498037921
Energy: 0.7220538096296893
Energy: 0.955206781525415
Energy: 0.7220538096296893
Energy: 1.058643472829761
Energy: 0.811595856726012
Energy: 0.9521413314655905
Energy: 0.811595856726012
Energy: 1.1516098530168928
Energy: 0.7125803736466068
Energy: 1.0564736913239474
Energy: 0.7125803736466068
Energy: 0.8274656719054492
Energy: 0.712372484407068
Energy: 0.9399691057984694
Energy: 0.712372484407068
Energy: 0.8286932471619481
Energy: 0.711366320309019
Energy: 1.1544520381711236
Energy: 0.711366320309019
Energy: 0.834774988365531
Energy: 0.7050152223483638
Energy: 1.0788277317892514
Energy: 0.7050152223483638
Energy: 0.8219056234689993
Energy: 0.7076849056507049
Energy: 1.0606166238463748
Energy: 0.7076849056507049
Energy: 0.8221284458399938
Energy: 0.7015199653723989
Energy: 1.1540153811537266
Energy: 0.7015199653723989
Energy: 0.8645094506434208
Energy: 0.8648601440922942
Energy: 1.1897584326655297
Energy: 0.8648601440922942
Energy: 1.0505979224581552
Energy: 0.7014787820148581
Energy: 1.1538574914897028
Energy: 0.7014787820148581
Energy: 1.0494229804849864
Energy: 0.7012903686703406
Energy: 1.0543005074558198
Energy: 0.7012903686703406
Energy: 1.049626079084257
Energy: 0.7879702095536856
Energy: 1.0592044298439705
Energy: 0.7879702095536856
Energy: 1.0564736913239474
Energy: 0.8005711929530072
Energy: 1.1541024717748447
Energy: 0.8005711929530072
Energy: 1.1520859882627006
Energy: 0.79931105031941
Energy: 0.8331822882541146
Energy: 0.79931105031941
Energy: 1.1529635489265617
Energy: 0.7991633152903816
Energy: 0.828531776061604
Energy: 0.7991633152891364
Energy: 1.0788277317954773
Energy: 0.7222855787584952
Energy: 0.7314439685153887
Energy: 0.7222855787584952
Energy: 1.060616623853846
Energy: 0.7258329261142863
Energy: 0.7221468569028581
Energy: 0.7258329261142863
Energy: 1.0521681044793874
Energy: 0.7234620334196222
Energy: 0.7308124143100349
Energy: 0.7234620334196222

minimum gb energy = 0.7012903686703406 eV
minimum distance =  2.28683635298172 Angstroms
sigma value = 25


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

Energy: 1.4946941637975215
Energy: 0.636549062196862
Energy: 0.8797556540015505
Energy: 0.637493906361611
Energy: 1.2920267858183885
Energy: 0.6345554874796883
Energy: 0.8262329334805156
Energy: 0.6345554874796883
Energy: 1.2142134449270152
Energy: 0.633290485789437
Energy: 0.8226207438727852
Energy: 0.633290485789437
Energy: 1.0904346657384956
Energy: 0.6390313678771102
Energy: 0.978803756109348
Energy: 0.6390313678771102
Energy: 1.1471907388736367
Energy: 0.7041032706851823
Energy: 1.1528545090926807
Energy: 0.7041032706851823
Energy: 1.0712107837968625
Energy: 0.7023371857726283
Energy: 1.148925973579095
Energy: 0.7023371857726283
Energy: 1.0744114682328236
Energy: 0.6304070909448103
Energy: 1.1401807867255154
Energy: 0.6304070909448103
Energy: 0.7997080508897362
Energy: 0.6285690111354738
Energy: 1.2073338967627911
Energy: 0.6285690111354738
Energy: 0.8153345583210102
Energy: 0.629488749374456
Energy: 1.1427659275040338
Energy: 0.6294887493734836
Energy: 0.8041531319107507
Energy: 0.630431254490215
Energy: 1.2767065581282764
Energy: 0.630431254490215
Energy: 0.7199322730414233
Energy: 0.6310688415882393
Energy: 1.2914659362962653
Energy: 0.6310688415882393
Energy: 0.7213286045391034
Energy: 0.6306694492841871
Energy: 1.2764265100297059
Energy: 0.6306694492841871
Energy: 0.7235588865509988
Energy: 0.6250600341198373
Energy: 1.275526373418108
Energy: 0.6250600341198373
Energy: 0.736772488210227
Energy: 0.6230442527287187
Energy: 1.2733567025180415
Energy: 0.6230442527287187
Energy: 0.9049467714597776
Energy: 0.62307025622065
Energy: 1.281356623993969
Energy: 0.62307025622065
Energy: 0.9064849818683831
Energy: 0.6242681327795705
Energy: 1.2149088363283493
Energy: 0.6242681327795705
Energy: 0.9943141181448852
Energy: 0.6253968338906436
Energy: 1.2153050065177982
Energy: 0.6253968338916159
Energy: 0.9032766096853976
Energy: 0.7025709746967694
Energy: 1.0043184582859113
Energy: 0.7025709746967694
Energy: 1.126574207800825
Energy: 0.6997563469302992
Energy: 1.0735858452074993
Energy: 0.6997563469302992
Energy: 1.2921936449722904
Energy: 0.6989009799168736
Energy: 1.0716559741107476
Energy: 0.6989009799168736
Energy: 1.2930293844417347
Energy: 0.6369031144823812
Energy: 0.8247410956461732
Energy: 0.6369031144823812
Energy: 1.2916274826073357
Energy: 0.632669838454625
Energy: 0.7188389329966803
Energy: 0.632669838454625
Energy: 1.2169424027065987
Energy: 0.6363131529287955
Energy: 0.8181096213780905
Energy: 0.6363131529287955
Energy: 1.2077384075391555
Energy: 0.6424438050109313
Energy: 0.6395832802012102
Energy: 0.6424438050109313
Energy: 1.2885218995010679
Energy: 0.6335686181021656
Energy: 0.6351320352006395
Energy: 0.6335686181021656
Energy: 1.2833137591503099
Energy: 0.6344429369971811
Energy: 0.6384837628277628
Energy: 0.6344429369971811

minimum gb energy = 0.6230442527287187 eV
minimum distance =  2.29288775450625 Angstroms
sigma value = 41


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

Energy: 1.5162295528703058
Energy: 0.5695314166895041
Energy: 0.82754100074928
Energy: 0.57501780962077
Energy: 1.3567051494289069
Energy: 0.5677374091294102
Energy: 0.7194972222806246
Energy: 0.5677374091294102
Energy: 1.357809204341261
Energy: 0.566680603528321
Energy: 0.7237163779805331
Energy: 0.566680603528321
Energy: 1.1334103028797018
Energy: 0.569214456488909
Energy: 0.8890180381247162
Energy: 0.569214456488909
Energy: 1.2478209204407804
Energy: 0.5644289178601135
Energy: 1.0023884286827172
Energy: 0.5644289178601135
Energy: 1.1269308084712026
Energy: 0.5660678524266478
Energy: 1.0034311384767078
Energy: 0.5660678524250536
Energy: 1.130953533704961
Energy: 0.6254437785511366
Energy: 1.132536996517125
Energy: 0.6254437785511366
Energy: 1.0105805335583964
Energy: 0.6260974964592327
Energy: 1.0028639150370822
Energy: 0.62609749646003
Energy: 0.8734903667344199
Energy: 0.5665735070785148
Energy: 1.2420983734066013
Energy: 0.5665735070673548
Energy: 0.8755696325749748
Energy: 0.5645984989589566
Energy: 1.2471945385760572
Energy: 0.5645984989581594
Energy: 0.7316803731250414
Energy: 0.5716898774182216
Energy: 1.2388727903004968
Energy: 0.5716898774182216
Energy: 0.7183733414912108
Energy: 0.5653874722379626
Energy: 1.3583726679346952
Energy: 0.5653874722379626
Energy: 0.7214430579409687
Energy: 0.5677861894232445
Energy: 1.3611402717584382
Energy: 0.5677861894240418
Energy: 0.5749370730349581
Energy: 0.5694983745679107
Energy: 1.2502177273820425
Energy: 0.5694983745679107
Energy: 0.567453923405385
Energy: 0.5668738155290415
Energy: 1.3550369268600453
Energy: 0.5668738155290415
Energy: 0.5715687407174335
Energy: 0.567540754148133
Energy: 1.3590728157621934
Energy: 0.567540754148133
Energy: 0.7284948612391093
Energy: 0.5700383374901107
Energy: 1.363521338194151
Energy: 0.5700383374901107
Energy: 0.7164578515476329
Energy: 0.5646024925864759
Energy: 1.3546390595971223
Energy: 0.5646024925856787
Energy: 0.722712096251061
Energy: 0.569836794271092
Energy: 1.1287429145859122
Energy: 0.569836794271092
Energy: 1.003511606477555
Energy: 0.567496675703293
Energy: 1.1269650389510517
Energy: 0.5674966757040901
Energy: 1.0242987333716813
Energy: 0.5653058596344784
Energy: 1.2392653255775072
Energy: 0.5653058596344784
Energy: 1.0043630573946578
Energy: 0.6237534895029467
Energy: 1.1342122714988796
Energy: 0.6237534895053383
Energy: 1.242655366902363
Energy: 0.6217563303974339
Energy: 1.1245536744676539
Energy: 0.6217563303974339
Energy: 1.0022926835727843
Energy: 0.6250104188188239
Energy: 1.00307414025819
Energy: 0.6250104188196209
Energy: 1.240473086130887
Energy: 0.565330807068446
Energy: 0.8661593456461555
Energy: 0.565330807068446
Energy: 1.2424163466503901
Energy: 0.566969637425385
Energy: 1.0013821603610615
Energy: 0.566969637425385
Energy: 1.2475655528191305
Energy: 0.5699212469092862
Energy: 0.7234846488757537
Energy: 0.5699212469084891
Energy: 1.353854502229986
Energy: 0.5651942349654719
Energy: 0.7157623656256269
Energy: 0.5651942349662691
Energy: 1.2452155415115753
Energy: 0.5696595522060831
Energy: 0.7274835370067098
Energy: 0.5696595522060831
Energy: 1.242919718063304
Energy: 0.5677143468102361
Energy: 0.5675077330490331
Energy: 0.5677143468102361
Energy: 1.3554930619888133
Energy: 0.5665148144400036
Energy: 0.5668215289841158
Energy: 0.5665148144400036
Energy: 1.3495250161279588
Energy: 0.5721043803145879
Energy: 0.5749759394988946
Energy: 0.572104380309008

minimum gb energy = 0.5644289178601135 eV
minimum distance =  2.30398806128705 Angstroms
sigma value = 15


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

Energy: 1.3842332017049213
Energy: 0.530635726309963
Energy: 0.7965249827399753
Energy: 0.5340531519437929
Energy: 1.4140381480574038
Energy: 0.5249695160609231
Energy: 0.6558691483358458
Energy: 0.5249695160609231
Energy: 1.4115251875078672
Energy: 0.5245235101211794
Energy: 0.6562979315194719
Energy: 0.5245235101211794
Energy: 1.271708563016657
Energy: 0.5311780333236966
Energy: 0.9085025960305335
Energy: 0.5311780333236966
Energy: 1.3175477898128454
Energy: 0.522641071412279
Energy: 0.8976355433510721
Energy: 0.5226410714136297
Energy: 1.2646513155638759
Energy: 0.522439699383627
Energy: 0.8985637524964705
Energy: 0.522439699383627
Energy: 1.062433497972898
Energy: 0.5239466224928648
Energy: 1.1124305724374497
Energy: 0.5239466224921895
Energy: 1.1202459259652373
Energy: 0.5753599361229628
Energy: 0.9559956211260864
Energy: 0.5753599361216122
Energy: 1.060291272919053
Energy: 0.5714214876656241
Energy: 1.1101907995030564
Energy: 0.5714214876656241
Energy: 1.0597730553898261
Energy: 0.5245022639898391
Energy: 1.3082612275431307
Energy: 0.5245022639891637
Energy: 0.9076494206971727
Energy: 0.5255865640462266
Energy: 1.1742704701012705
Energy: 0.525586564040149
Energy: 0.8376255162151826
Energy: 0.5219858920941761
Energy: 1.3094121924409747
Energy: 0.5219858920928255
Energy: 0.8982746457461414
Energy: 0.52313632193199
Energy: 1.3609522931733202
Energy: 0.5231363219299642
Energy: 0.6518685047203188
Energy: 0.5226642988539728
Energy: 1.1721794181861729
Energy: 0.5226642988532976
Energy: 0.6502564328271536
Energy: 0.5224574151585107
Energy: 1.3606206871971942
Energy: 0.5224574151585107
Energy: 0.6476315906760632
Energy: 0.5240002392116336
Energy: 1.3641054878714243
Energy: 0.5240002392116336
Energy: 0.5963194578303652
Energy: 0.5247885511291507
Energy: 1.3668029759902176
Energy: 0.5247885511291507
Energy: 0.583513612347883
Energy: 0.5212374508675425
Energy: 1.4037089888266783
Energy: 0.5212374508668671
Energy: 0.5933071526789307
Energy: 0.5249245641846486
Energy: 1.2175242570127918
Energy: 0.5249245641846486
Energy: 0.7290482942352876
Energy: 0.5231635631572482
Energy: 1.4125014018427273
Energy: 0.5231635631572482
Energy: 0.7108891026189974
Energy: 0.5211113298126272
Energy: 1.403015031244538
Energy: 0.5211113298126272
Energy: 0.7297488759368577
Energy: 0.5274221524386936
Energy: 1.2723960008027184
Energy: 0.5274221524386936
Energy: 0.8859245115559532
Energy: 0.5243082391075233
Energy: 1.2622135965048331
Energy: 0.5243082391075233
Energy: 0.8957026987495946
Energy: 0.5221488675168693
Energy: 1.2626043822974864
Energy: 0.5221488675168693
Energy: 0.8944337726475817
Energy: 0.5231492531717615
Energy: 1.0662514182759102
Energy: 0.5231492531717615
Energy: 1.1121478915162442
Energy: 0.5716384804113926
Energy: 1.2091903378922304
Energy: 0.5716384804120679
Energy: 0.9537952166522796
Energy: 0.5710112161884587
Energy: 1.1086137848908668
Energy: 0.5710112161884587
Energy: 1.1170294606672801
Energy: 0.5748666551976636
Energy: 1.0696072239200989
Energy: 0.5748666552030659
Energy: 1.166654927161115
Energy: 0.5769656897949121
Energy: 1.0718880249895468
Energy: 0.5769656897942369
Energy: 1.1630074512328017
Energy: 0.5228092388296447
Energy: 0.8994057737976877
Energy: 0.5228092388343718
Energy: 1.3175171493267257
Energy: 0.5220140418853605
Energy: 0.8378173148812725
Energy: 0.5220140418772569
Energy: 1.1707317085464983
Energy: 0.5292145523602284
Energy: 0.9066604732696237
Energy: 0.5292145523602284
Energy: 1.361390080868069
Energy: 0.524774790177995
Energy: 0.6585452330218452
Energy: 0.524774790177995
Energy: 1.4120594658256915
Energy: 0.5239100106894777
Energy: 0.6562219149078027
Energy: 0.5239100106894777
Energy: 1.3541722928870155
Energy: 0.5287186517207979
Energy: 0.5374156532359599
Energy: 0.5287186517207979
Energy: 1.4126317877179295
Energy: 0.5262080630525607
Energy: 0.5286736358715062
Energy: 0.5262080630525607
Energy: 1.4104884139557319
Energy: 0.5275288952313608
Energy: 0.5296335214298755
Energy: 0.5275288952313608

minimum gb energy = 0.5211113298126272 eV
minimum distance =  2.30280638952823 Angstroms
sigma value = 85


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

Energy: 1.3967550084265612
Energy: 0.46995206105156745
Energy: 0.47004044202810263
Energy: 0.48482146611924337
Energy: 1.4349949040809544
Energy: 0.4690637156707152
Energy: 0.5841730077788138
Energy: 0.4690637156707152
Energy: 1.2605005445314936
Energy: 0.4686405877048098
Energy: 0.585289858641407
Energy: 0.46864058770539546
Energy: 1.0775002233488722
Energy: 0.4724971646715776
Energy: 0.8018630589681348
Energy: 0.472497164670992
Energy: 1.2628460405279678
Energy: 0.46691527578982844
Energy: 0.7981326369246641
Energy: 0.46691527578982844
Energy: 1.0813247355305686
Energy: 0.4680066110363463
Energy: 0.8021559364414809
Energy: 0.4680066110363463
Energy: 1.0791958025227648
Energy: 0.4686903895257661
Energy: 0.9950262644226101
Energy: 0.46869038952693753
Energy: 1.1769777191234114
Energy: 0.4683817535713192
Energy: 0.7945221412269015
Energy: 0.4683817535719049
Energy: 1.0851257718941865
Energy: 0.46770834035749914
Energy: 0.9898810376023152
Energy: 0.46770834034346936
Energy: 1.0841955182066823
Energy: 0.5494199004885143
Energy: 1.1697304542707159
Energy: 0.5494199004885143
Energy: 0.9903107350297811
Energy: 0.5491822406441458
Energy: 0.9883721834631141
Energy: 0.5491822406441458
Energy: 0.9010600683782242
Energy: 0.46804762008739154
Energy: 1.1700942737949152
Energy: 0.46804762008739154
Energy: 0.9893341098929846
Energy: 0.46898012071323786
Energy: 1.1708024957568786
Energy: 0.46898012071323786
Energy: 0.8014828973232162
Energy: 0.4695684529874141
Energy: 0.9861026269776901
Energy: 0.4695684529874141
Energy: 0.6870674448375197
Energy: 0.467141971334666
Energy: 1.343293242999837
Energy: 0.467141971334666
Energy: 0.8046520346135453
Energy: 0.47001466723477203
Energy: 1.1723263914317597
Energy: 0.47001466723477203
Energy: 0.5886529438363474
Energy: 0.4729862764411767
Energy: 1.168790773450936
Energy: 0.4729862764406176
Energy: 0.5782318152157264
Energy: 0.46718448753201663
Energy: 1.4298327368742
Energy: 0.46718448753201663
Energy: 0.5849100839637026
Energy: 0.4685991564517824
Energy: 1.342615697568124
Energy: 0.4685991564517824
Energy: 0.47019594729862263
Energy: 0.47025266087423456
Energy: 1.342503191699621
Energy: 0.47025266087423456
Energy: 0.46818559242524005
Energy: 0.4673767060355835
Energy: 1.4297083620599984
Energy: 0.4673767060355835
Energy: 0.4681272786575963
Energy: 0.46826003746402933
Energy: 1.2569414222687825
Energy: 0.4682600374634436
Energy: 0.5896710005867913
Energy: 0.46808109313233165
Energy: 1.4258571923385326
Energy: 0.46808109313233165
Energy: 0.5806210354706534
Energy: 0.46708569436124414
Energy: 1.4327363537445177
Energy: 0.46708569436065844
Energy: 0.5851531928662778
Energy: 0.46783738094283484
Energy: 1.0777448082398617
Energy: 0.46783738094342053
Energy: 0.8011346217716843
Energy: 0.4677746039101963
Energy: 1.431230665444572
Energy: 0.4677746039101963
Energy: 0.7989459251902413
Energy: 0.46716986351137463
Energy: 1.259260491002308
Energy: 0.46716986351137463
Energy: 0.910723732391009
Energy: 0.47031488095897717
Energy: 1.0800494834794123
Energy: 0.47031488095956286
Energy: 0.9937148347834106
Energy: 0.4670575584776086
Energy: 1.263488446984469
Energy: 0.4670575584770229
Energy: 0.9907037177717894
Energy: 0.46790166958384766
Energy: 1.081110694142253
Energy: 0.4679016695820906
Energy: 1.1724930802305724
Energy: 0.549941179402474
Energy: 0.897550818512599
Energy: 0.5499411794001313
Energy: 0.9886682471510209
Energy: 0.5493027303499257
Energy: 1.0883947536399545
Energy: 0.5493027303493401
Energy: 1.1716529628067918
Energy: 0.46762944874699985
Energy: 0.8966350453009679
Energy: 0.4676294487475856
Energy: 1.2660879371636533
Energy: 0.4688421858341768
Energy: 0.8975908842504018
Energy: 0.4688421858324197
Energy: 0.9860094146728062
Energy: 0.4708223414182179
Energy: 0.8013745399724453
Energy: 0.4708223414188036
Energy: 1.3456054606845034
Energy: 0.46723201963235994
Energy: 0.7975332434642768
Energy: 0.46723201963294564
Energy: 1.3460092914507178
Energy: 0.46804989715093503
Energy: 0.8008386028140955
Energy: 0.4680498971515207
Energy: 1.1689937646484416
Energy: 0.4680116643946121
Energy: 0.5857333771017891
Energy: 0.4680116643946121
Energy: 1.4320993557133073
Energy: 0.4669437494599784
Energy: 0.579879126488606
Energy: 0.4669437494599784
Energy: 1.3425938633735963
Energy: 0.4676046409056887
Energy: 0.5895356225255484
Energy: 0.4676046409062744
Energy: 1.1668484121581872
Energy: 0.4717377207886489
Energy: 0.4673090963509557
Energy: 0.4717377207886489
Energy: 1.4293899753212296
Energy: 0.46717067165136866
Energy: 0.46774125647038334
Energy: 0.46717067165136866
Energy: 1.2569537101135113
Energy: 0.47172088411429713
Energy: 0.4672595458380092
Energy: 0.47172088411429713

minimum gb energy = 0.46691527578982844 eV
minimum distance =  2.30304516633929 Angstroms
sigma value = 113


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

Energy: 0.015599145799230258
Energy: 0.41246166699739767
Energy: 1.077286217415671
Energy: 0.01637255418143725
Energy: 0.7658154806158367
Energy: 0.1107794903818051
Energy: 0.7694625323271581
Energy: 0.1107794903818051
Energy: 0.016275692983118262
Energy: 0.10917932832377414
Energy: 0.7678853224476533
Energy: 0.10917932832377414
Energy: 0.017390942161538896
Energy: 0.11163396848475643
Energy: 0.77237612461328
Energy: 0.11163396848475643
Energy: 0.7669293047571847
Energy: 0.1107945119256514
Energy: 0.771075315334618
Energy: 0.1107945119256514
Energy: 0.016147388485858897
Energy: 0.10897910418867547
Energy: 0.7677949719782955
Energy: 0.10897910418825024

minimum gb energy = 0.015599145799230258 eV
minimum distance =  2.50242275892773 Angstroms
sigma value = 1