Model name: model_name=EMT_Asap_MetalGlass_BaileySchiotzJacobsen_2004_CuMg__MO_228059236215_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=3.587871603667736
cohesive_energy=3.5216851723143447
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, 2.2019514569379e-19, 2.7196627926823197e-19, 3.14241311932956e-19, 3.4983046150399795e-19, 3.8035993726486796e-19, 4.0684231484825395e-19, 4.3000658462262595e-19, 4.50373453994034e-19, 4.6826015393601e-19, 4.839839154220859e-19, 4.97794678007166e-19, 5.0989591812376795e-19, 5.20449455611926e-19, 5.295994863686999e-19, 5.37470980171542e-19, 5.44180895914734e-19, 5.498221598430479e-19, 5.54442837255504e-19, 5.580893912744879e-19, 5.60830715495262e-19, 5.627276926299179e-19, 5.63833194507378e-19, 5.641920820733939e-19, 5.63807559681234e-19, 5.62565872789884e-19, 5.60322825502284e-19, 5.56903780565328e-19, 5.52106863723132e-19, 5.45682135420792e-19, 5.373219777445799e-19, 5.26664298775212e-19, 5.1328131735141e-19, 4.96647519537222e-19, 4.761300455622179e-19, 4.5097266805515e-19, 4.20257339804736e-19, 3.8265265202812197e-19, 3.3651316932219e-19, 2.7988423619346e-19, 2.10239220090114e-19, 1.2423902468923259e-19, 1.7422869806433e-20, -1.16100928694493e-19, -2.8432867417617596e-19, -4.98834490642632e-19, -7.754983518017519e-19, -1.1378994911761139e-18, -1.6210983400475399e-18, -2.2795288495561798e-18, -3.2005240658447397e-18, -4.5316765004372996e-18, -6.5291421535777796e-18, -9.644158052465939e-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: 0.013787782027064079
Energy: 0.014296907258937088
Energy: 0.6248225580206472
Energy: 0.10383092442767515
Energy: 0.014296907258937088
Energy: 0.7449570956915269
Energy: 0.10383092442767515
Energy: 0.7449570957157935
Energy: 0.6248225580206472
Energy: 0.10383092442767515
Energy: 0.013787782027064079
Energy: 0.014296907258937088
Energy: 0.10383092442767515
Energy: 0.7449570956840629
Energy: 0.014296907258937088
Energy: 0.7449570956977526

minimum gb energy = 0.013787782027064079 eV
minimum distance =  2.48140824759352 Angstroms
sigma value = 1


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

Energy: 1.2269691402948206
Energy: 0.7973536299694558
Energy: 0.8477528927253071
Energy: 0.8463637377412844
Energy: 0.8348866507676357
Energy: 0.8769003660654627
Energy: 0.816542724827662
Energy: 0.8769003660654627
Energy: 0.8468082990249245
Energy: 0.8463701977033281
Energy: 0.8161099137548469
Energy: 0.8463701977033281
Energy: 0.8170874819037527
Energy: 0.8152271107554692
Energy: 0.8162329682236616
Energy: 0.8152271107554692
Energy: 0.8589036555902814
Energy: 0.815135526876168
Energy: 0.8174000439255684
Energy: 0.815135526876168
Energy: 0.817233878086451
Energy: 0.9242864056601582
Energy: 0.8166156941208459
Energy: 0.9242864056601582
Energy: 0.8608937499642476
Energy: 0.8854504222094043
Energy: 0.8585707185558145
Energy: 0.8854504222094043
Energy: 0.8620429020887683
Energy: 0.8607938896710082
Energy: 0.8437559875946525
Energy: 0.8607938896710082
Energy: 0.8765197089393028
Energy: 0.9258583941363235
Energy: 0.8774501085984995
Energy: 0.9258583941363235
Energy: 0.886866991784875
Energy: 0.9139221893468209
Energy: 0.8780284074574917
Energy: 0.9139221893468209
Energy: 0.8747427797358438
Energy: 0.9254893935216267
Energy: 0.8775707904927267
Energy: 0.9254893935216267
Energy: 0.8606754045935466
Energy: 0.9238618213403162
Energy: 0.8923981545124956
Energy: 0.9238618213410885
Energy: 0.8636022054928142
Energy: 0.8855628145537646
Energy: 0.8347164573075703
Energy: 0.8855628145537646
Energy: 0.8171863998558236
Energy: 0.8862809177921152
Energy: 0.8619985412892164
Energy: 0.8862809177921152
Energy: 0.835160356613952
Energy: 0.8147677168105504
Energy: 0.8147375503104584
Energy: 0.8147677168105504
Energy: 0.7943696010876021
Energy: 0.8168342983413813
Energy: 0.8158769547817516
Energy: 0.816834298340609
Energy: 0.8469415313240537
Energy: 0.8460841928565396
Energy: 0.7934412808920394
Energy: 0.8460841928565396
Energy: 0.8164090493278052
Energy: 0.8157255343403772
Energy: 0.8352539525328578
Energy: 0.8157255343403772
Energy: 0.8158677681334677
Energy: 0.846493818650475
Energy: 0.8490293891799829
Energy: 0.846493818650475
Energy: 0.8170715192933093
Energy: 0.8151642612196502
Energy: 0.816705512613684
Energy: 0.8151642612196502
Energy: 0.8159747527494108
Energy: 0.81666532594826
Energy: 0.8589181073556437
Energy: 0.81666532594826
Energy: 0.8165084846213382
Energy: 0.8159876938516212
Energy: 0.8172946825713918
Energy: 0.8159876938516212
Energy: 0.8585314250758043
Energy: 0.8870435992213879
Energy: 0.8594467098891521
Energy: 0.8870435992213879
Energy: 0.8450721712531009
Energy: 0.8869858928758042
Energy: 0.8601314565283383
Energy: 0.8869858928758042
Energy: 0.8782605920505084
Energy: 0.9262954965678576
Energy: 0.8764470141735894
Energy: 0.9262954965678576
Energy: 0.8790180105822519
Energy: 0.9232425017983099
Energy: 0.888723787631894
Energy: 0.9232425017983099
Energy: 0.8772571439791761
Energy: 0.9252085787499607
Energy: 0.8757430235039428
Energy: 0.9252085787499607
Energy: 0.8902272252959657
Energy: 0.9248147191420527
Energy: 0.8827159102657122
Energy: 0.9248147191420527
Energy: 0.8351151857595751
Energy: 0.8853116859254492
Energy: 0.881389908397056
Energy: 0.8853116859254492
Energy: 0.8618523768957027
Energy: 0.8890536793829432
Energy: 0.8179201854669661
Energy: 0.8890536793829432
Energy: 0.8144197424690037
Energy: 0.8150394518700337
Energy: 0.8346372449413102
Energy: 0.8150394518700337
Energy: 0.8156118253083107
Energy: 0.8162718596257715
Energy: 0.7941791614235851
Energy: 0.8162718596257715
Energy: 0.7936850212978181
Energy: 0.8463357650043357
Energy: 0.8477496836232937
Energy: 0.8463357650051079

minimum gb energy = 0.7934412808920394 eV
minimum distance =  2.30582733965556 Angstroms
sigma value = 1


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

Energy: 1.3842955905769838
Energy: 0.8363396490501398
Energy: 0.8926958498978628
Energy: 0.8919079176124319
Energy: 0.8845898186488782
Energy: 0.9211694824955386
Energy: 0.85870063016769
Energy: 0.9211694824955386
Energy: 0.8913794904927358
Energy: 0.8921987187911259
Energy: 0.8582015458788557
Energy: 0.8921987187902454
Energy: 0.860878023413402
Energy: 0.8582400803522562
Energy: 0.8584148929631096
Energy: 0.8582400803522562
Energy: 0.8592259274388417
Energy: 0.8587947466994088
Energy: 0.8582656214767469
Energy: 0.8587947466994088
Energy: 0.8608599101933554
Energy: 0.9567555779985838
Energy: 0.8592165464845308
Energy: 0.9567555779985838
Energy: 0.9138284346552918
Energy: 0.9408678383089053
Energy: 0.9095584084922148
Energy: 0.9408678383089053
Energy: 0.9114324872874949
Energy: 0.9435525312586764
Energy: 0.8913088490712874
Energy: 0.9435525312586764
Energy: 0.9108495320990506
Energy: 0.9794800186836231
Energy: 0.924379653533363
Energy: 0.9794800186836231
Energy: 0.8902833514251866
Energy: 0.9831165023951126
Energy: 0.9123582714922759
Energy: 0.9831165023951126
Energy: 0.8849629103172943
Energy: 0.9406790570493653
Energy: 0.9136638446787477
Energy: 0.9406790570493653
Energy: 0.9126676529605402
Energy: 0.9423923084538358
Energy: 0.861649898012072
Energy: 0.9423923084547163
Energy: 0.8584683510331514
Energy: 0.8585296916124843
Energy: 0.8837614451764019
Energy: 0.8585296916133647
Energy: 0.8592228366786365
Energy: 0.8583846788668008
Energy: 0.8318753354275937
Energy: 0.8583846788668008
Energy: 0.8310130682588087
Energy: 0.8915352329972295
Energy: 0.8921834102942577
Energy: 0.8915352329972295
Energy: 0.8848266999667942
Energy: 0.8588372393496798
Energy: 0.8585693285344941
Energy: 0.8588372393496798
Energy: 0.8915948723443514
Energy: 0.8920473095041277
Energy: 0.8593818410445125
Energy: 0.8920473095041277
Energy: 0.8606691271258694
Energy: 0.8585209210718452
Energy: 0.8602497451542628
Energy: 0.8585209210718452
Energy: 0.8593143848964186
Energy: 0.8613925170841075
Energy: 0.8601960192366579
Energy: 0.8613925170841075
Energy: 0.8601366179011961
Energy: 0.8592706664703936
Energy: 0.8606655652454506
Energy: 0.8592706664712341
Energy: 0.9107471231983238
Energy: 0.9428530838796867
Energy: 0.9093836144026829
Energy: 0.9428530838796867
Energy: 0.9098267772492749
Energy: 0.9422420340758356
Energy: 0.8884111437552471
Energy: 0.9422420340758356
Energy: 0.9111203142436951
Energy: 0.9802446543576432
Energy: 0.9247485907559296
Energy: 0.9802446543576432
Energy: 0.9400561426374981
Energy: 0.9792243889931365
Energy: 0.9333060558198101
Energy: 0.9792243889931365
Energy: 0.8844414903741032
Energy: 0.9404842882845065
Energy: 0.9438894613348577
Energy: 0.9404842882845065
Energy: 0.9126316097153826
Energy: 0.9406792940392781
Energy: 0.8616808408627664
Energy: 0.9406792940392781
Energy: 0.8580212715506622
Energy: 0.8586680147209251
Energy: 0.884110423957618
Energy: 0.8586680147209251
Energy: 0.8576223649012934
Energy: 0.8585101279559753
Energy: 0.8312166804162927
Energy: 0.8585101279559753
Energy: 0.8309393859938148
Energy: 0.8613893561904926
Energy: 0.8921376897392748
Energy: 0.8613893561904926

minimum gb energy = 0.8309393859938148 eV
minimum distance =  2.28090982115206 Angstroms
sigma value = 25


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

Energy: 1.3270766049524696
Energy: 0.8775763871985689
Energy: 0.9414532147803586
Energy: 0.941616622035265
Energy: 0.94395904313629
Energy: 0.9691784139521931
Energy: 0.9095430048039659
Energy: 0.9691784139511695
Energy: 0.9409320810656714
Energy: 0.9423703150964613
Energy: 0.9071473249910841
Energy: 0.9423703150964613
Energy: 0.9110748047537949
Energy: 0.9085477577024005
Energy: 0.9096118627046839
Energy: 0.9085477577024005
Energy: 0.9078946403187298
Energy: 0.9093053126956908
Energy: 0.9088763445656676
Energy: 0.9093053126956908
Energy: 0.9102388040647647
Energy: 0.9101373881478688
Energy: 0.9080887932401611
Energy: 0.9101373881478688
Energy: 0.9596615714249497
Energy: 1.0088763714097229
Energy: 0.9574071576569985
Energy: 1.0088763714097229
Energy: 0.9584736836991185
Energy: 1.010071727083157
Energy: 0.8868413748912461
Energy: 1.010071727083157
Energy: 0.9593799710861459
Energy: 1.008251343769227
Energy: 0.9437710284004945
Energy: 1.008251343769227
Energy: 0.9118545273899381
Energy: 1.0089569675109467
Energy: 0.9087273158746261
Energy: 1.0089569675109467
Energy: 0.8710888721942341
Energy: 0.9082019052642495
Energy: 0.908843539684982
Energy: 0.9082019052642495
Energy: 0.8715376447348049
Energy: 0.908446645925635
Energy: 0.9089880905047982
Energy: 0.9084466459246116
Energy: 0.9406001941123369
Energy: 0.9419365191458992
Energy: 0.870940976248954
Energy: 0.9419365191458992
Energy: 0.9094912002098772
Energy: 0.9109592132496126
Energy: 0.9449470355958519
Energy: 0.9109592132496126
Energy: 0.9069656699947604
Energy: 0.9424152460757381
Energy: 0.9427465034892148
Energy: 0.9424152460757381
Energy: 0.9098864965564409
Energy: 0.908675932531895
Energy: 0.9108996583939565
Energy: 0.908675932531895
Energy: 0.9111931968099984
Energy: 0.9118289200279994
Energy: 0.9074776643864976
Energy: 0.9118289200279994
Energy: 0.9083380801232879
Energy: 0.9085757818289943
Energy: 0.9102331136248215
Energy: 0.9085757818289943
Energy: 0.957572632488425
Energy: 1.0105137647048958
Energy: 0.9630625578339121
Energy: 1.0105137647048958
Energy: 0.8871890431787697
Energy: 1.0097259138777925
Energy: 0.9601103711996801
Energy: 1.0097259138788164
Energy: 0.9434169255663858
Energy: 1.0082635289012096
Energy: 0.959396235310799
Energy: 1.0082635289012096
Energy: 0.9444891247301309
Energy: 1.0083304987318489
Energy: 0.9123489533630983
Energy: 1.0083304987318489
Energy: 0.9082281228841835
Energy: 0.9082859889213972
Energy: 0.8712294167887229
Energy: 0.9082859889213972
Energy: 0.9082529115585197
Energy: 0.9083415408603251
Energy: 0.8713642930375523
Energy: 0.9083415408603251
Energy: 0.8706863646427788
Energy: 0.9107071061018365
Energy: 0.9416651708670534
Energy: 0.9107071061018365

minimum gb energy = 0.8706863646427788 eV
minimum distance =  2.28252345527809 Angstroms
sigma value = 9


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

Energy: 1.2402243745264558
Energy: 0.9211908920751702
Energy: 0.996933238019755
Energy: 0.996424082164959
Energy: 1.0093510991457624
Energy: 1.0185558875096792
Energy: 0.968063327489412
Energy: 1.0185558875096792
Energy: 0.9964571570722106
Energy: 0.9963417325959938
Energy: 0.9943307079688417
Energy: 0.9963417325947728
Energy: 0.962936902357631
Energy: 1.0183297636144488
Energy: 0.9682026180651163
Energy: 1.0183297636144488
Energy: 0.9639817920965149
Energy: 0.967355229297936
Energy: 0.9662809006251677
Energy: 0.967355229297936
Energy: 0.9645236918080747
Energy: 0.9692833377772936
Energy: 0.9688507371800681
Energy: 0.9692833377772936
Energy: 1.0139311333068617
Energy: 1.0842268893974918
Energy: 0.9679787636987772
Energy: 1.0842268893974918
Energy: 0.9691415062513915
Energy: 1.0827084170263253
Energy: 0.9739703666448236
Energy: 1.0827084170263253
Energy: 0.9653341152489276
Energy: 0.9675732663692963
Energy: 0.9111349399185792
Energy: 0.9675732663692963
Energy: 0.9682998115134959
Energy: 0.9674784126258568
Energy: 0.9115412747640159
Energy: 0.9674784126258568
Energy: 0.9102861778718235
Energy: 0.9962596735484074
Energy: 0.9956175159468668
Energy: 0.9962596735484074
Energy: 1.0091598005050209
Energy: 0.9647610326507887
Energy: 0.9678656712715872
Energy: 0.9647610326507887
Energy: 0.9965789979647084
Energy: 0.9970785345870362
Energy: 0.9944990758233272
Energy: 0.9970785345870362
Energy: 0.9977489864226308
Energy: 0.966905081365416
Energy: 0.994679031375532
Energy: 0.966905081365416
Energy: 0.9643404573582386
Energy: 0.9660919695132221
Energy: 0.9693380313221752
Energy: 0.9660919695132221
Energy: 0.9646259377585761
Energy: 0.968221509966719
Energy: 0.9688159262390481
Energy: 0.968221509966719
Energy: 1.010479501688444
Energy: 1.0847510810856633
Energy: 0.9670630173589528
Energy: 1.0847510810856633
Energy: 1.0092379251789223
Energy: 1.0836554483395795
Energy: 0.9683741982235823
Energy: 1.0836554483395795
Energy: 0.9649721048333327
Energy: 0.9676887643008756
Energy: 0.9111481114145022
Energy: 0.9676887643008756
Energy: 0.9684571389882354
Energy: 0.9682921631432576
Energy: 0.9113451486151971
Energy: 0.9682921631432576
Energy: 0.9100363397221188
Energy: 0.9627390903136847
Energy: 0.9974506921918189
Energy: 0.9627390903136847

minimum gb energy = 0.9100363397221188 eV
minimum distance =  2.29745179919799 Angstroms
sigma value = 25


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

Energy: 1.1119479231135
Energy: 0.9617167762110453
Energy: 1.0572472117919318
Energy: 1.0570451235480567
Energy: 1.052676526890588
Energy: 1.0305085115410446
Energy: 0.9794650016725343
Energy: 1.0305085115410446
Energy: 1.0566015811808058
Energy: 1.0574318308442296
Energy: 1.0537123851471273
Energy: 1.0574318308442296
Energy: 1.0576696479476326
Energy: 1.0308944244351614
Energy: 0.9800076357436048
Energy: 1.0308944244336515
Energy: 0.9764965815800389
Energy: 1.0396876896459504
Energy: 0.9800185910613484
Energy: 1.0396876896459504
Energy: 0.9546887501566392
Energy: 0.9802013055388732
Energy: 0.977519767391176
Energy: 0.9802013055751131
Energy: 0.9504100249747592
Energy: 0.9789070937502601
Energy: 0.9818203111897031
Energy: 0.9789070937502601
Energy: 0.9508756948042686
Energy: 1.0321011664436426
Energy: 0.9823146580071782
Energy: 1.0321011664436426
Energy: 1.0559398845834052
Energy: 1.0573080999120534
Energy: 1.149200866088794
Energy: 1.0573080999120534
Energy: 1.0804638055416302
Energy: 0.9569448601965667
Energy: 1.0527268733735806
Energy: 0.9569448601965667
Energy: 1.0539521237916232
Energy: 1.0574476359072724
Energy: 1.0608088797253965
Energy: 1.0574476359087823
Energy: 1.0532148195002065
Energy: 1.033015262196101
Energy: 1.0594906804067596
Energy: 1.033015262196101
Energy: 0.978375393117771
Energy: 0.9593608445706086
Energy: 0.9763043592133043
Energy: 0.9593608445721187
Energy: 0.9812334213715108
Energy: 0.9797744953804735
Energy: 0.9566437691964477
Energy: 0.9797744953789634
Energy: 0.9822721820602892
Energy: 0.9795919846604607
Energy: 0.9508013491453015
Energy: 0.9795919846589507
Energy: 0.9785089020013333
Energy: 1.0854600899847577
Energy: 0.9507888171840649
Energy: 1.0854600899847577
Energy: 1.1517891814051093
Energy: 0.9558233821953473
Energy: 1.0595300919342423
Energy: 0.9558233821953473

minimum gb energy = 0.9504100249747592 eV
minimum distance =  2.33467345325805 Angstroms
sigma value = 17


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

Energy: 1.5069356613401519
Energy: 1.0932712647027099
Energy: 1.1509708489062327
Energy: 1.1526175588849392
Energy: 0.9758069572839887
Energy: 1.0382741768758053
Energy: 1.1127027924776107
Energy: 1.0382741768758053
Energy: 1.034861505094746
Energy: 1.0349382571110786
Energy: 1.1659457427888418
Energy: 1.0349382571110786
Energy: 1.0340083785821088
Energy: 1.0367383273698865
Energy: 1.0451639885389288
Energy: 1.0367383273698865
Energy: 1.0354194732600892
Energy: 1.1146205474796798
Energy: 0.9784460236582152
Energy: 1.1146205474796798
Energy: 1.0369812979216686
Energy: 1.0860898982685403
Energy: 1.0344578010274788
Energy: 1.0860898982685403
Energy: 1.0859111963892032
Energy: 1.0332348560234474
Energy: 1.0342816573974793
Energy: 1.0332348560243028
Energy: 1.2414943653503654
Energy: 1.0476170402049123
Energy: 0.9979540315993451
Energy: 1.0476170402049123
Energy: 1.1540639288794663
Energy: 1.1522335013858382
Energy: 1.0984109337612802
Energy: 1.1522335013858382
Energy: 1.1648622294299888
Energy: 1.1114117240204613
Energy: 1.0437906116912545
Energy: 1.1114117240204613
Energy: 1.0326120175580908
Energy: 1.001600855569575
Energy: 0.9947176447671742
Energy: 1.001600855569575
Energy: 1.1015644592265932
Energy: 0.9991124831615462
Energy: 0.9994150571163064
Energy: 0.9991124831538494
Energy: 1.0852017527020736
Energy: 1.024160991040107
Energy: 1.0218269638644477
Energy: 1.024160991040107
Energy: 1.0866756964999906
Energy: 1.0238761467147994
Energy: 0.9955105588819609
Energy: 1.0238761467139441
Energy: 1.1552207946426187
Energy: 1.1031661871998888
Energy: 1.214293215687056
Energy: 1.1031661871998888
Energy: 1.1540567622790154
Energy: 1.1534015315427848
Energy: 1.212897324509998
Energy: 1.1534015315427848
Energy: 1.163412563495196
Energy: 1.0341389956063642
Energy: 1.03533933697748
Energy: 1.0341389956063642
Energy: 1.163045807688829
Energy: 1.034718353098297
Energy: 1.0318849518305506
Energy: 1.034718353098297
Energy: 1.0341559284135373
Energy: 1.1140062058904168
Energy: 1.0338487302307957
Energy: 1.1140062058904168
Energy: 1.0654177744907256
Energy: 1.0878520335310313
Energy: 1.0337526154731373
Energy: 1.0878520335310313
Energy: 1.03282138948411
Energy: 1.0475650485489796
Energy: 1.1890787738176627
Energy: 1.0475650485489796
Energy: 1.0346446625061703
Energy: 1.0346091212308826
Energy: 1.0857368113127859
Energy: 1.0346091212308826
Energy: 1.1122559405384294
Energy: 1.1103163573040005
Energy: 1.111156145205914
Energy: 1.1103163573040005
Energy: 1.0987054973009873
Energy: 1.152156850579027
Energy: 1.1522521744143595
Energy: 1.152156850579027
Energy: 0.9960222617028305
Energy: 1.0232919277363872
Energy: 1.1666743763922098
Energy: 1.0232919277363872
Energy: 0.9987504699897687
Energy: 1.0217861777494488
Energy: 1.031428183537285
Energy: 1.0217861777451729
Energy: 0.9943091941656527
Energy: 0.9981167447556234
Energy: 1.0913103975372878
Energy: 0.9981167447556234
Energy: 1.0025220740244676
Energy: 1.020113851443806
Energy: 1.0872838500701412
Energy: 1.020113851443806
Energy: 0.9970644167204206
Energy: 1.0514129869902908
Energy: 1.0880997670038626
Energy: 1.051412986986015
Energy: 1.1111382082820218
Energy: 1.152218266609969
Energy: 1.1505752072161595
Energy: 1.152218266609969

minimum gb energy = 0.9758069572839887 eV
minimum distance =  2.29218472687088 Angstroms
sigma value = 53


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

Energy: 1.3741282401288364
Energy: 0.9459613711068827
Energy: 1.0900708140019848
Energy: 1.088890787289454
Energy: 1.2221068383178149
Energy: 1.0012730505078389
Energy: 1.0860117300569243
Energy: 1.0012730505078389
Energy: 1.088024129206347
Energy: 1.0890170959333842
Energy: 1.1045123276187905
Energy: 1.0890170959333842
Energy: 1.0935562267812171
Energy: 1.0022011359132172
Energy: 1.0947009303008504
Energy: 1.0022011359132172
Energy: 1.0901325202513796
Energy: 1.0014087798798514
Energy: 0.9351349480268901
Energy: 1.0014087798798514
Energy: 1.0930404588389866
Energy: 1.0055704817576805
Energy: 0.9453784182760406
Energy: 1.0055704817576805
Energy: 1.2240941919806714
Energy: 1.087401474494817
Energy: 1.0856340286066146
Energy: 1.087401474494817
Energy: 1.224113685717867
Energy: 1.0044238270174284
Energy: 1.0903599741131142
Energy: 1.0044238270174284
Energy: 1.087586587486783
Energy: 1.0882551869541648
Energy: 1.1048277981327994
Energy: 1.0882551869541648
Energy: 1.0931146962759806
Energy: 1.004413843816307
Energy: 1.0872023359610887
Energy: 1.004413843816307
Energy: 1.089004385468165
Energy: 1.0067879234325203
Energy: 0.9478170548081291
Energy: 1.0067879234325203
Energy: 1.1012518507269835
Energy: 1.0009809387700008
Energy: 0.9333803180293165
Energy: 1.0009809387700008
Energy: 1.2243297378739588
Energy: 1.0054471898589632
Energy: 1.08988454883001
Energy: 1.005447189860932

minimum gb energy = 0.9333803180293165 eV
minimum distance =  2.32706243546545 Angstroms
sigma value = 9


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

Energy: 1.337117959583925
Energy: 1.1304542167950715
Energy: 1.2075542432211865
Energy: 1.2061671351877696
Energy: 1.0688256024223401
Energy: 1.01341371125034
Energy: 1.2125574855768522
Energy: 1.0134137112496115
Energy: 1.0187776919742497
Energy: 1.0161682908331129
Energy: 1.1992204073217663
Energy: 1.0161682908331129
Energy: 1.0163579266401033
Energy: 1.0157818405188832
Energy: 1.2772970471046945
Energy: 1.0157818405188832
Energy: 1.0132460858521548
Energy: 1.0130614585472024
Energy: 1.2766435059234722
Energy: 1.0130614585464737
Energy: 1.01267261547421
Energy: 1.0133648330391203
Energy: 1.290408144810329
Energy: 1.0133648330391203
Energy: 1.2086964101603204
Energy: 1.2000379766388052
Energy: 1.2110338061218606
Energy: 1.2000379766388052
Energy: 1.2082079161407402
Energy: 1.1197139045333213
Energy: 1.2012746448760256
Energy: 1.1197139045333213
Energy: 1.068469814258802
Energy: 1.1334162233824565
Energy: 1.0834699646993946
Energy: 1.1334162233824565
Energy: 1.010237536239888
Energy: 1.090503909486669
Energy: 1.2036490856892919
Energy: 1.090503909486669
Energy: 1.0691181625676391
Energy: 1.068213307039508
Energy: 1.1213046296295768
Energy: 1.0682133070402369
Energy: 1.073874157332511
Energy: 1.1360441853778243
Energy: 1.2797657979130383
Energy: 1.1360441853778243
Energy: 1.2080743051352818
Energy: 1.0680752441492802
Energy: 1.0797650545554112
Energy: 1.0680752441500088
Energy: 1.208662886321353
Energy: 1.069113519068613
Energy: 1.073240256957867
Energy: 1.069113519068613
Energy: 1.2000897136455595
Energy: 1.0820690968387376
Energy: 1.0717304253558475
Energy: 1.082069096838009
Energy: 1.1533858887369908
Energy: 1.1353711384421752
Energy: 1.0723984128049295
Energy: 1.1353711384421752
Energy: 1.2026066806168205
Energy: 1.0166710993900054
Energy: 1.0711262923316403
Energy: 1.0166710993892765
Energy: 1.205666651910829
Energy: 1.202214643716499
Energy: 1.3352248070387407
Energy: 1.2022146437172279
Energy: 1.2128265972883303
Energy: 1.0137248414980566
Energy: 1.0695602494168694
Energy: 1.0137248414980566
Energy: 1.250297527561824
Energy: 1.0179788542293733
Energy: 1.0189488354459828
Energy: 1.0179788542293733
Energy: 1.2121164346763942
Energy: 1.01472071354961
Energy: 1.014953656269244
Energy: 1.01472071354961
Energy: 1.2768472001792681
Energy: 1.0126608391535787
Energy: 1.0124503979117878
Energy: 1.0126608391535787
Energy: 1.2771433491992588
Energy: 1.0136477053773036
Energy: 1.0124498716979455
Energy: 1.0136477053773036
Energy: 1.2126989426998018
Energy: 1.2000022522954805
Energy: 1.2087927965849226
Energy: 1.2000022522954805
Energy: 1.1997453461155283
Energy: 1.2005462763236505
Energy: 1.2078722778197035
Energy: 1.2005462763236505
Energy: 1.0811330305489903
Energy: 1.131476204192541
Energy: 1.067695431006185
Energy: 1.131476204192541
Energy: 1.2053884967379331
Energy: 1.090721499947564
Energy: 1.010039515437342
Energy: 1.0907214998995374
Energy: 1.1210937343951595
Energy: 1.0691623665255459
Energy: 1.0679602605172205
Energy: 1.069162366524817
Energy: 1.2756197115486756
Energy: 1.07164226328335
Energy: 1.0730462235163638
Energy: 1.07164226328335
Energy: 1.0815919511765655
Energy: 1.0688518028472256
Energy: 1.2083419859427047
Energy: 1.0688518028472256
Energy: 1.0681896168394887
Energy: 1.0700983624268487
Energy: 1.19856821270266
Energy: 1.0700983624261202
Energy: 1.0703749103560636
Energy: 1.065522643337785
Energy: 1.2006761610645493
Energy: 1.0655226433385134
Energy: 1.0733968609259874
Energy: 1.1389082236898909
Energy: 1.1227606663565095
Energy: 1.1389082236898909
Energy: 1.0695649712538131
Energy: 1.0175332181365615
Energy: 1.1249667100282301
Energy: 1.0175332181365615
Energy: 1.2782386278227131
Energy: 1.2005179200468754
Energy: 1.2034933160946821
Energy: 1.2005179200476042

minimum gb energy = 1.010039515437342 eV
minimum distance =  2.28663900377173 Angstroms
sigma value = 73


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

Energy: 1.2726007192679683
Energy: 1.0171721161771463
Energy: 1.1499742511076723
Energy: 1.1508605603048083
Energy: 1.1331402845690963
Energy: 1.0218724778111719
Energy: 1.136975244173572
Energy: 1.0218724778111719
Energy: 1.0173407940447012
Energy: 1.0194395568272427
Energy: 1.1379484566888105
Energy: 1.0194395568272427
Energy: 1.0156917210975982
Energy: 1.0195077260269718
Energy: 1.2515498509176828
Energy: 1.0195077260269718
Energy: 1.0148600195577238
Energy: 1.0182706714432859
Energy: 1.2490657938849152
Energy: 1.0182706714432859
Energy: 1.018396364204684
Energy: 1.018221461872878
Energy: 1.248820316367907
Energy: 1.018221461872878
Energy: 1.1303517156666405
Energy: 1.1372762595352008
Energy: 1.1411802012597712
Energy: 1.1372762595352008
Energy: 1.1310011864587695
Energy: 1.1386175669232428
Energy: 1.13308314352215
Energy: 1.1386175669232428
Energy: 1.133943527149581
Energy: 1.0922388446986258
Energy: 1.144802386431793
Energy: 1.0922388446986258
Energy: 1.0116168950185758
Energy: 1.0916832890837
Energy: 1.1334234134331689
Energy: 1.0916832890837
Energy: 1.1331707305557035
Energy: 1.092321045288017
Energy: 1.0155755034320813
Energy: 1.092321045288017
Energy: 1.142450905772058
Energy: 1.1356223391689817
Energy: 1.244067438237984
Energy: 1.1356223391701377
Energy: 1.1297077825882444
Energy: 1.0189109593129668
Energy: 1.0188705950545365
Energy: 1.0189109593118106
Energy: 1.1333160802581386
Energy: 1.018543139555316
Energy: 1.0160099960006066
Energy: 1.01854313955416
Energy: 1.250746527430971
Energy: 1.0198444283430164
Energy: 1.0160692027506926
Energy: 1.0198444283430164
Energy: 1.2495443270572577
Energy: 1.0192569215469414
Energy: 1.0170583561673128
Energy: 1.0192569215469414
Energy: 1.2468617577113537
Energy: 1.0190820655166848
Energy: 1.0188465072327835
Energy: 1.0190820655166848
Energy: 1.1487017681760974
Energy: 1.1446531518685839
Energy: 1.1306899030349555
Energy: 1.1446531518685839
Energy: 1.132920037136031
Energy: 1.0923210392280511
Energy: 1.131971932290189
Energy: 1.0923210392280511
Energy: 1.133563527931795
Energy: 1.0889149387863635
Energy: 1.1357798805748986
Energy: 1.0889149387863635
Energy: 1.1327470246744815
Energy: 1.0916298625540142
Energy: 1.0124545274867591
Energy: 1.0916298625540142
Energy: 1.2479411561716016
Energy: 1.1345971854886108
Energy: 1.1346480803979948
Energy: 1.1345971854886108

minimum gb energy = 1.0116168950185758 eV
minimum distance =  2.2870051107123 Angstroms
sigma value = 7


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

Energy: 1.603380705816552
Energy: 1.0377368398564986
Energy: 1.1657811849607456
Energy: 1.1660541342471327
Energy: 1.1235757239386726
Energy: 1.033979306823036
Energy: 1.134686821013955
Energy: 1.033979306823036
Energy: 1.0290004940913875
Energy: 1.0299038362452724
Energy: 1.1280405435008836
Energy: 1.0299038362452724
Energy: 1.0276554359128884
Energy: 1.0292878776576873
Energy: 1.2507741664605483
Energy: 1.0292878776576873
Energy: 1.0317507752450643
Energy: 1.0316861052649238
Energy: 1.2131648323635045
Energy: 1.0316861052649238
Energy: 1.0307733841331952
Energy: 1.035275113605945
Energy: 1.2124063360227826
Energy: 1.035275113605945
Energy: 1.1303561119830519
Energy: 1.0294665904887685
Energy: 1.02908889299692
Energy: 1.0294665904887685
Energy: 1.1306178615819824
Energy: 1.0371817898335816
Energy: 1.0363583249873378
Energy: 1.0371817898335816
Energy: 1.2485440569518214
Energy: 1.029750655465273
Energy: 1.0294709938678652
Energy: 1.0297506554644553
Energy: 1.2222942476272076
Energy: 1.0310858834606056
Energy: 1.0316813388125596
Energy: 1.0310858834606056
Energy: 1.1363619647660603
Energy: 1.1341020147895868
Energy: 1.0279762603559572
Energy: 1.1341020147895868
Energy: 1.1373957525285312
Energy: 1.1377969836195916
Energy: 1.129562018549139
Energy: 1.1377969836195916
Energy: 1.1295192108655023
Energy: 1.0931504722782188
Energy: 1.1375293119260488
Energy: 1.0931504722782188
Energy: 1.1285970282874231
Energy: 1.0901967022723467
Energy: 1.0370008788299931
Energy: 1.0901967022723467
Energy: 1.1365628580298233
Energy: 1.0919932698050248
Energy: 1.0397414941188956
Energy: 1.0919932698050248
Energy: 1.0352293427842896
Energy: 1.1372242606321739
Energy: 1.137765907704199
Energy: 1.1372242606321739
Energy: 1.035681308011256
Energy: 1.1337078870075605
Energy: 1.13660242828923
Energy: 1.133707887008378
Energy: 1.0320765712124726
Energy: 1.030779991692476
Energy: 1.128305694585482
Energy: 1.030779991692476
Energy: 1.0277667396596388
Energy: 1.03017630773597
Energy: 1.1355994537431853
Energy: 1.03017630773597
Energy: 1.0363006464374374
Energy: 1.0371172897683831
Energy: 1.0379425994828864
Energy: 1.0371172897692007
Energy: 1.0289653401921188
Energy: 1.0296845702613706
Energy: 1.2155872435775297
Energy: 1.0296845702613706
Energy: 1.130332929723047
Energy: 1.036065360000413
Energy: 1.0307630341716114
Energy: 1.036065360000413
Energy: 1.1301670761729667
Energy: 1.0316557359453187
Energy: 1.0313021840251508
Energy: 1.0316557359453187
Energy: 1.2495068461118999
Energy: 1.0289091643059125
Energy: 1.0282158483291797
Energy: 1.0289091643059125
Energy: 1.2205242741720317
Energy: 1.0301161336353901
Energy: 1.0287754007138543
Energy: 1.0301161336353901
Energy: 1.217306535739089
Energy: 1.0324492339940456
Energy: 1.0327342464649143
Energy: 1.0324492339940456
Energy: 1.1656481159427667
Energy: 1.1461810671779564
Energy: 1.4103024665553827
Energy: 1.1461810671779564
Energy: 1.1335209870366594
Energy: 1.095878127179601
Energy: 1.1377285001840263
Energy: 1.095878127179601
Energy: 1.1298327575150073
Energy: 1.090907666393207
Energy: 1.130493778222996
Energy: 1.090907666393207
Energy: 1.140412203485038
Energy: 1.0955024732364587
Energy: 1.0366010053579997
Energy: 1.0955024732364587
Energy: 1.0357090888253748
Energy: 1.137463932589841
Energy: 1.1373843702580815
Energy: 1.137463932589841

minimum gb energy = 1.0276554359128884 eV
minimum distance =  2.26588709917628 Angstroms
sigma value = 29


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

Energy: 0.9603378276647708
Energy: 0.9623328980375172
Energy: 0.9859457402493583
Energy: 1.1537621228921482
Energy: 0.9671892517803702
Energy: 1.058722042787695
Energy: 0.9834783898376566
Energy: 1.0587220427879798
Energy: 0.9785863052173425
Energy: 1.0358955309733688
Energy: 0.9641327965341798
Energy: 1.035895530973084
Energy: 0.9664816930569436
Energy: 0.9807656947535259
Energy: 0.9789041345566442
Energy: 0.9807656947538107
Energy: 0.9773825096928078
Energy: 0.9833293288782258
Energy: 0.9664833903468023
Energy: 0.9833293288785105
Energy: 0.9780604731807502
Energy: 1.0443891716945628
Energy: 0.9681699178462676
Energy: 1.0443891716945628
Energy: 0.9645998651227032
Energy: 1.0360360531082122
Energy: 0.9781060606373477
Energy: 1.0360360531082122
Energy: 0.9827852722187076
Energy: 0.9852057688393224
Energy: 0.9669026555943394
Energy: 0.9852057688387529
Energy: 0.9664925606084003
Energy: 0.9817851060605632
Energy: 0.9845812057630283
Energy: 0.9817851060605632

minimum gb energy = 0.9603378276647708 eV
minimum distance =  2.29849012201008 Angstroms
sigma value = 5


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

Energy: 1.2874023053365042
Energy: 0.9349325649517309
Energy: 1.1074672810122161
Energy: 0.9604578431560349
Energy: 0.9763347206985892
Energy: 0.959070772371174
Energy: 1.1229417394637002
Energy: 0.959070772371174
Energy: 1.1225546060877674
Energy: 1.0333876266321094
Energy: 1.1260890784285795
Energy: 1.0333876266328814
Energy: 0.9775117863921997
Energy: 1.036407115779969
Energy: 1.117440369890823
Energy: 1.036407115779969
Energy: 1.1146712435502586
Energy: 0.9570259604889944
Energy: 1.1241181991138693
Energy: 0.9570259604889944
Energy: 0.957206278905112
Energy: 0.9595322694935546
Energy: 1.1245248081850132
Energy: 0.9595322694935546
Energy: 0.9566046222497087
Energy: 0.9559177478733304
Energy: 1.1173812867765887
Energy: 0.9559177478733304
Energy: 0.9652968628298919
Energy: 0.9605005223554367
Energy: 1.2550087484884633
Energy: 0.9605005223554367
Energy: 0.9816554773221327
Energy: 0.9938785900509194
Energy: 1.2553949878460677
Energy: 0.9938785900509194
Energy: 1.130213659139048
Energy: 0.9380750129603146
Energy: 0.9416813608322988
Energy: 0.9380750129603146
Energy: 0.9798701931728503
Energy: 0.9367586391055127
Energy: 0.938317291234247
Energy: 0.9367586391055127
Energy: 1.2655435798246106
Energy: 0.9352668070891993
Energy: 0.9358396959801468
Energy: 0.9352668070891993
Energy: 1.2728749379141238
Energy: 0.9362579762086982
Energy: 0.9353550471322266
Energy: 0.9362579762086982
Energy: 0.9567410336563089
Energy: 0.9885181125269804
Energy: 1.1269715484827039
Energy: 0.9885181125269804
Energy: 0.9586225350711055
Energy: 0.9567048657298093
Energy: 1.1276867891986242
Energy: 0.9567048657305817
Energy: 0.9605151618339935
Energy: 0.9593623134079644
Energy: 1.089984156259817
Energy: 0.9593623134079644
Energy: 0.9576175087969688
Energy: 0.9565438058677683
Energy: 0.9749958309777776
Energy: 0.956543805866996
Energy: 1.1397619346723504
Energy: 0.9599078510033554
Energy: 0.9768569051535574
Energy: 0.9599078510041276
Energy: 1.1282871293799468
Energy: 1.0350298442516912
Energy: 1.1237857880340836
Energy: 1.0350298442516912
Energy: 1.1174434434102518
Energy: 1.0352718929918618
Energy: 0.9756061447683372
Energy: 1.0352718929918618
Energy: 1.1245831616910391
Energy: 0.9669625417930426
Energy: 1.0915424039934503
Energy: 0.9669625417938149
Energy: 1.1242656114536096
Energy: 0.9567747964605986
Energy: 0.9565172012853033
Energy: 0.9567747964605986
Energy: 1.1167799517551018
Energy: 0.9562821465907515
Energy: 0.9581911431073561
Energy: 0.9562821465907515
Energy: 1.2722175646553489
Energy: 0.9589001735457423
Energy: 0.9617366125766623
Energy: 0.9589001735457423
Energy: 1.2575685717388465
Energy: 0.9886406774378207
Energy: 0.9797818346127732
Energy: 0.9886406774378207
Energy: 0.9372282668588253
Energy: 0.9383067779629889
Energy: 1.13023334890566
Energy: 0.9383067779629889
Energy: 0.9380483893918973
Energy: 0.9382467533465734
Energy: 0.9814938672248399
Energy: 0.9382467533465734
Energy: 0.9371164971907496
Energy: 0.9386714401314051
Energy: 1.006032900636825
Energy: 0.9386714401314051
Energy: 0.9351354429140132
Energy: 0.9368969546235187
Energy: 1.2743758295945078
Energy: 0.9368969546235187
Energy: 1.1257598647829128
Energy: 0.9875851524851585
Energy: 0.9790423229294308
Energy: 0.9875851524851585
Energy: 1.1266070583304348
Energy: 0.9574996810193652
Energy: 0.958274402835717
Energy: 0.9574996810193652
Energy: 1.0899889986222218
Energy: 0.9578771384892596
Energy: 0.9573963498581118
Energy: 0.9578771384892596
Energy: 0.9773332595635685
Energy: 0.9560708387427289
Energy: 0.957271673063011
Energy: 0.9560708387427289

minimum gb energy = 0.9349325649517309 eV
minimum distance =  2.27425508149404 Angstroms
sigma value = 1


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

Energy: 1.3658817905451714
Energy: 0.8882087812543007
Energy: 0.9181134631289571
Energy: 0.9141968387553621
Energy: 0.9344832866971919
Energy: 0.915428986881534
Energy: 1.1102442459485082
Energy: 0.915428986881534
Energy: 1.1104092741771994
Energy: 1.0105890083565996
Energy: 1.1158433937996899
Energy: 1.0105890083565996
Energy: 0.9338994145524445
Energy: 1.0110100085807028
Energy: 1.0989924164880258
Energy: 1.0110100085807028
Energy: 0.9137069090342362
Energy: 0.9121456919248592
Energy: 1.1075138505822724
Energy: 0.9121456919248592
Energy: 0.9116129935905598
Energy: 0.9144016583078105
Energy: 1.107487240565617
Energy: 0.9144016583078105
Energy: 0.9098470119660003
Energy: 0.9109500402703169
Energy: 1.1004864671528014
Energy: 0.9109500402703169
Energy: 0.9157231506548714
Energy: 0.917174049994256
Energy: 1.258365516222779
Energy: 0.917174049994256
Energy: 1.10298136596175
Energy: 0.9673586501267946
Energy: 1.2592807092901197
Energy: 0.9673586501267946
Energy: 1.1476401861804817
Energy: 0.9213051362418682
Energy: 0.9399547684382491
Energy: 0.9213051362418682
Energy: 1.1014336623051522
Energy: 0.9111998607965311
Energy: 0.9103694025529389
Energy: 0.9111998607965311
Energy: 1.2565645159576326
Energy: 0.9211436280496315
Energy: 0.9124029673370513
Energy: 0.9211436280496315
Energy: 1.2581834587549723
Energy: 0.9121708634230781
Energy: 0.9121128748894973
Energy: 0.9121708634230781
Energy: 1.0984453923152306
Energy: 1.010106499671345
Energy: 1.1138341592172138
Energy: 1.010106499671345
Energy: 0.935488499926886
Energy: 1.0094559838008945
Energy: 1.1120770463690806
Energy: 1.0094559838008945
Energy: 0.9331475057214718
Energy: 0.9140136804236701
Energy: 1.0991164289722348
Energy: 0.9140136804236701
Energy: 0.9124028236205228
Energy: 0.9161238403565011
Energy: 1.132344856404017
Energy: 0.9161238403565011
Energy: 0.9210336136916203
Energy: 0.9184412779737079
Energy: 1.0971707500815622
Energy: 0.9184412779737079
Energy: 0.9101510156748277
Energy: 0.9127322831516911
Energy: 1.259090193163813
Energy: 0.9127322831516911
Energy: 0.9140092069232315
Energy: 0.9250193732724061
Energy: 1.2582753270328786
Energy: 0.9250193732734737
Energy: 1.1084005367510554
Energy: 0.9597883237493947
Energy: 0.9143207983410873
Energy: 0.9597883237493947
Energy: 1.1312571990558677
Energy: 0.9137296336814213
Energy: 0.9165287324566905
Energy: 0.9137296336814213
Energy: 1.0994717261894567
Energy: 0.911526748838411
Energy: 0.9119245046569516
Energy: 0.911526748838411
Energy: 1.2577994001672608
Energy: 0.9121819735229026
Energy: 0.9117930973443941
Energy: 0.9121819735229026

minimum gb energy = 0.8882087812543007 eV
minimum distance =  2.27662024483427 Angstroms
sigma value = 17


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

Energy: 1.5248586828849915
Energy: 0.8957540863540092
Energy: 1.0795430900423781
Energy: 0.9052201095912816
Energy: 0.9156416546352645
Energy: 0.9064342473310153
Energy: 1.0289993893287828
Energy: 0.9064342473310153
Energy: 1.2279914314813263
Energy: 0.9058916223361879
Energy: 1.0488157632265986
Energy: 0.9058916223361879
Energy: 1.231087949819965
Energy: 0.9539991439710086
Energy: 1.0205676873638505
Energy: 0.9539991439710086
Energy: 1.006997448920286
Energy: 0.887254414532999
Energy: 1.035282172607927
Energy: 0.887254414532999
Energy: 0.8879715797462532
Energy: 0.8870621012220132
Energy: 1.152433915867352
Energy: 0.8870621012220132
Energy: 0.8877287927648329
Energy: 0.8867245211607798
Energy: 0.9186277977435962
Energy: 0.8867245211614397
Energy: 0.8962470429432295
Energy: 0.8903745300118696
Energy: 0.9904130121013571
Energy: 0.8903745300125295
Energy: 1.164983826319233
Energy: 0.8903775101074924
Energy: 1.0890498874851573
Energy: 0.8903775101074924
Energy: 1.1109562620866447
Energy: 1.037701791286458
Energy: 0.997669076643522
Energy: 1.0377017912857982
Energy: 1.1606417695779565
Energy: 1.0398379570383298
Energy: 0.9785297284346454
Energy: 1.0398379570383298
Energy: 1.1488102600946177
Energy: 0.9152066832192767
Energy: 0.989043265292062
Energy: 0.9152066832192767
Energy: 1.1545148485593348
Energy: 0.907454239701096
Energy: 0.9086835385235668
Energy: 0.9074542397017559
Energy: 0.9571526096383212
Energy: 0.9073862685082168
Energy: 0.9092757626381925
Energy: 0.9073862685075569
Energy: 1.229201308012556
Energy: 0.9105562608947034
Energy: 0.9166160359281628
Energy: 0.9105562608947034
Energy: 1.1919487423347899
Energy: 0.9087216713008636
Energy: 0.9851871980954704
Energy: 0.9087216713008636
Energy: 0.9443594114859348
Energy: 0.8883125206752038
Energy: 1.0042583491892858
Energy: 0.8883125206752038
Energy: 0.9576067623803634
Energy: 0.8852174321192467
Energy: 1.1245074562664268
Energy: 0.8852174321185869
Energy: 0.9460870356121236
Energy: 0.8888113865285312
Energy: 1.1230271733628658
Energy: 0.8888113865285312
Energy: 0.9453609669586298
Energy: 0.884374884863972
Energy: 0.8906156542614297
Energy: 0.8843748848646318
Energy: 1.103601090756204
Energy: 0.8854755570601809
Energy: 0.9178329783570921
Energy: 0.8854755570601809
Energy: 1.1028620101169533
Energy: 0.886711934170031
Energy: 1.2267814818051301
Energy: 0.886711934170031
Energy: 1.062930455079821
Energy: 0.933290369958447
Energy: 1.2313193688415094
Energy: 0.933290369958447
Energy: 0.9886458523118218
Energy: 0.8947272351183685
Energy: 1.0854292577565263
Energy: 0.8947272351190285
Energy: 1.149475651921468
Energy: 0.8941788084735001
Energy: 0.8926554192755985
Energy: 0.8941788084735001
Energy: 1.0763342758850045
Energy: 0.8933514246117171
Energy: 0.8957710779277527
Energy: 0.8933514246110572
Energy: 0.9948460391688161
Energy: 0.8982069946517393
Energy: 0.9049904358984846
Energy: 0.8982069946517393
Energy: 0.9997504890365365
Energy: 0.8956981826092246
Energy: 1.1494707342565855
Energy: 0.8956981826085647
Energy: 1.0270184079648763
Energy: 1.050362651841748
Energy: 1.1107114445609592
Energy: 1.050362651841748
Energy: 0.9797629413819144
Energy: 1.0427836469265168
Energy: 0.9724003304846293
Energy: 1.042783646927177
Energy: 1.0292430271795017
Energy: 0.9027213450791527
Energy: 1.1516213155512447
Energy: 0.9027213450798126
Energy: 0.9022965492858982
Energy: 0.902840374526846
Energy: 1.2124029135334582
Energy: 0.902840374526846
Energy: 0.9017133689925689
Energy: 0.901067026252893
Energy: 0.9700359612571324
Energy: 0.9010670262535531
Energy: 0.9111252697593726
Energy: 0.9068215944716354
Energy: 1.2296226012621114
Energy: 0.9068215944716354
Energy: 0.9855111651948824
Energy: 0.9339343595983144
Energy: 1.1884255441480458
Energy: 0.9339343595983144
Energy: 1.3830449215930123
Energy: 0.9080506378749427
Energy: 0.9334283564026906
Energy: 0.9080506378756025
Energy: 1.0860670617129478
Energy: 0.9012608425530213
Energy: 0.9024449013984228
Energy: 0.9012608425523615
Energy: 1.0893993770830446
Energy: 0.9072016590206344
Energy: 0.9128975451165405
Energy: 0.9072016590206344

minimum gb energy = 0.884374884863972 eV
minimum distance =  2.27129670007404 Angstroms
sigma value = 89


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

Energy: 1.5261788653637542
Energy: 0.8489282754201445
Energy: 0.8260322608587537
Energy: 0.8254479224837594
Energy: 0.822307759286293
Energy: 0.903627839470376
Energy: 0.8249716156615189
Energy: 0.903627839470376
Energy: 0.8164060957298624
Energy: 0.9044692182236902
Energy: 0.8423787488678374
Energy: 0.9044692182236902
Energy: 0.817359845727032
Energy: 0.9052478729419563
Energy: 0.8230976007458306
Energy: 0.9052478729419563
Energy: 0.821752292513302
Energy: 0.8226348876861949
Energy: 0.8360595814959887
Energy: 0.8226348876861949
Energy: 0.8216093863313535
Energy: 0.8215449737076
Energy: 0.8348491510080861
Energy: 0.8215449737076
Energy: 0.8216162263518189
Energy: 0.8203381422149473
Energy: 0.8237172472696694
Energy: 0.8203381422149473
Energy: 0.8246981162965087
Energy: 0.8262215089073246
Energy: 0.8154927295669118
Energy: 0.8262215089073246
Energy: 0.8264447064216428
Energy: 0.8262321400367106
Energy: 0.815384262930782
Energy: 0.8262321400367106
Energy: 0.8410458011452467
Energy: 0.9067671249656055
Energy: 0.8404040757978384
Energy: 0.9067671249656055
Energy: 0.823762147493951
Energy: 0.9071345451878939
Energy: 0.814568842226406
Energy: 0.9071345451878939
Energy: 0.8343172140939987
Energy: 0.8281267028158735
Energy: 0.8252106413839718
Energy: 0.8281267028158735
Energy: 0.8374232562151661
Energy: 0.823959456537031
Energy: 0.8219494394574591
Energy: 0.823959456537031
Energy: 0.8234353669997386
Energy: 0.8201057404564115
Energy: 0.820104021506
Energy: 0.8201057404564115
Energy: 0.8150753005982051
Energy: 0.822980165870865
Energy: 0.8260826112975157
Energy: 0.822980165870865

minimum gb energy = 0.814568842226406 eV
minimum distance =  2.29514942636884 Angstroms
sigma value = 13


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

Energy: 1.356864855546701
Energy: 0.7756424850251974
Energy: 0.9893693959970004
Energy: 0.7800099691958091
Energy: 0.7807699684365742
Energy: 0.7791166374852326
Energy: 0.9224162500788073
Energy: 0.7791166374859563
Energy: 1.1133975356913888
Energy: 0.7765711986739317
Energy: 0.9252796119372927
Energy: 0.7765711986746554
Energy: 1.0610847320132264
Energy: 0.7798999244957441
Energy: 0.9119110144562738
Energy: 0.7798999244957441
Energy: 0.9173162410499226
Energy: 0.7785275744551131
Energy: 1.1752129364944621
Energy: 0.7785275744543895
Energy: 0.9140404657114792
Energy: 0.7779678304552539
Energy: 1.1728694190304294
Energy: 0.7779678304552539
Energy: 0.928454772112719
Energy: 0.7769382477751634
Energy: 0.9092297814273864
Energy: 0.7769382477751634
Energy: 0.7818354139597069
Energy: 0.7759280757595562
Energy: 1.1532249300754007
Energy: 0.7759280757595562
Energy: 0.7758790625846503
Energy: 0.778927041176326
Energy: 0.9139985803196208
Energy: 0.778927041176326
Energy: 0.776093515332244
Energy: 0.7765689112955771
Energy: 0.9124709156347435
Energy: 0.7765689112955771
Energy: 0.7781755282188273
Energy: 0.7826399929940168
Energy: 1.3572978909315208
Energy: 0.7826399929932929
Energy: 0.9216423040650957
Energy: 0.7760698835441077
Energy: 0.9140896385601333
Energy: 0.7760698835441077
Energy: 0.9390856147014194
Energy: 0.8234055689607589
Energy: 0.9084093624320212
Energy: 0.8234055689607589
Energy: 0.9122986894551269
Energy: 0.8259414404679847
Energy: 1.062767667336787
Energy: 0.8259414404679847
Energy: 0.915241864296405
Energy: 0.7791850213397815
Energy: 0.9132421656878916
Energy: 0.7791850213397815
Energy: 0.9161943008287324
Energy: 0.7780690863212557
Energy: 0.7798028695704987
Energy: 0.7780690863212557
Energy: 0.9123344648010979
Energy: 0.7765925177081568
Energy: 0.7794349766026708
Energy: 0.7765925177081568
Energy: 1.271716565016198
Energy: 0.7784528945510837
Energy: 0.7779852069420361
Energy: 0.77845289455036
Energy: 1.0322796390523177
Energy: 0.7790065220084732
Energy: 0.9082796675669501
Energy: 0.779006522009197
Energy: 0.9121847153637576
Energy: 0.7761204463720613
Energy: 0.9219583839018662
Energy: 0.7761204463720613
Energy: 1.0606718780025979
Energy: 0.7760627631098176
Energy: 0.9084643436091888
Energy: 0.7760627631105413
Energy: 0.9121731341506741
Energy: 0.8342248402872734
Energy: 1.0769872997509284
Energy: 0.8342248402872734
Energy: 0.9152281675797104
Energy: 0.7798157008110715
Energy: 1.17625608372119
Energy: 0.7798157008117951
Energy: 0.7803544243540207
Energy: 0.7753042555759919
Energy: 0.912277329776139
Energy: 0.7753042555767158
Energy: 0.9105014717031383
Energy: 0.7772714274440445
Energy: 0.9174772960450986
Energy: 0.7772714274440445
Energy: 0.7772837968578677
Energy: 0.7758156444493582
Energy: 0.9183075788955044
Energy: 0.7758156444493582
Energy: 0.7759593949856666
Energy: 0.7752753404712455
Energy: 1.0760320445755964
Energy: 0.7752753404712455
Energy: 0.7909696778991062
Energy: 0.7796567246198025
Energy: 0.7800704234515129
Energy: 0.7796567246198025
Energy: 0.9077553679033644
Energy: 0.7788779114001986
Energy: 1.0375662128353953
Energy: 0.7788779114001986
Energy: 0.9208210757293059
Energy: 0.8263477887691363
Energy: 1.0733723960268626
Energy: 0.8263477887691363
Energy: 0.9131685870179647
Energy: 0.8237120438291978
Energy: 1.0619780390181035
Energy: 0.8237120438299215
Energy: 0.9162107846165143
Energy: 0.7769190653299534
Energy: 0.907526998963937
Energy: 0.7769190653299534
Energy: 0.9169756781116939
Energy: 0.7785913767534512
Energy: 0.7933102554705076
Energy: 0.7785913767534512
Energy: 1.074033067540875
Energy: 0.7751490177180747
Energy: 0.7760001312747813
Energy: 0.7751490177180747
Energy: 1.0326039310126889
Energy: 0.7772206881547236
Energy: 0.7809602006911697
Energy: 0.7772206881547236

minimum gb energy = 0.7751490177180747 eV
minimum distance =  2.28835974230844 Angstroms
sigma value = 37


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

Energy: 1.3204483290867721
Energy: 0.7161758035427526
Energy: 0.724263413091401
Energy: 0.7253172592515975
Energy: 1.0620746768718135
Energy: 0.724216905678185
Energy: 0.9606443099929688
Energy: 0.724216905678185
Energy: 1.0549689459247418
Energy: 0.7230889347523283
Energy: 0.9562916584511906
Energy: 0.7230889347523283
Energy: 1.0595916601513053
Energy: 0.812747890038435
Energy: 0.953305511330226
Energy: 0.8127478900496417
Energy: 1.1529716253560642
Energy: 0.7133884414170762
Energy: 1.0574438657200622
Energy: 0.7133884414170762
Energy: 0.9322638488536152
Energy: 0.713402978705672
Energy: 1.0702793623947047
Energy: 0.713402978705672
Energy: 0.8295401441250252
Energy: 0.7122386173037802
Energy: 1.1555570170837726
Energy: 0.7122386173037802
Energy: 0.8356439799406558
Energy: 0.7060732333222837
Energy: 1.0809219497431846
Energy: 0.7060732333222837
Energy: 0.822792495149841
Energy: 0.7085734961046092
Energy: 1.0618128678827146
Energy: 0.7085734961046092
Energy: 0.8230190003637975
Energy: 0.7023767572762019
Energy: 1.155319108966648
Energy: 0.7023767572762019
Energy: 0.8654712643811765
Energy: 0.8658135972549891
Energy: 1.19062516225189
Energy: 0.8658135972549891
Energy: 1.0516021781001879
Energy: 0.7023383336426633
Energy: 1.155139118221635
Energy: 0.7023383336426633
Energy: 1.0504267695081362
Energy: 0.7021493741742221
Energy: 1.0548056021675818
Energy: 0.7021493741742221
Energy: 1.0508402079282997
Energy: 0.7915449682144181
Energy: 1.0595258871561508
Energy: 0.7915449682144181
Energy: 1.0574438657200622
Energy: 0.8018039205741757
Energy: 1.1551562798059725
Energy: 0.8018039205741757
Energy: 1.0702793623947047
Energy: 0.8003714935620952
Energy: 0.9531693748162698
Energy: 0.8003714935620952
Energy: 1.1540246659694502
Energy: 0.8001525802917437
Energy: 0.8293784221714627
Energy: 0.8001525802917437
Energy: 1.0809219497506275
Energy: 0.7232187712417066
Energy: 0.7324360908298929
Energy: 0.7232187712417066
Energy: 1.0618128678752434
Energy: 0.7268189435286893
Energy: 0.7231177612949976
Energy: 0.7268189435286893
Energy: 1.1577831597741177
Energy: 0.7244345801052053
Energy: 0.7317775934331281
Energy: 0.7244345801052053

minimum gb energy = 0.7021493741742221 eV
minimum distance =  2.2866910543921 Angstroms
sigma value = 25


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

Energy: 1.3928348609318315
Energy: 0.6330689245678546
Energy: 0.8725148394667919
Energy: 0.6298692646173042
Energy: 1.2767602728093765
Energy: 0.6265505589162004
Energy: 0.8126721575897361
Energy: 0.6265505589162004
Energy: 1.2796375102339828
Energy: 0.6256614466652932
Energy: 0.8144481123252596
Energy: 0.625661446664321
Energy: 0.9957463298970318
Energy: 0.6277142317774311
Energy: 0.8120557784523987
Energy: 0.6277142317774311
Energy: 1.1397987647851278
Energy: 0.6963075600247655
Energy: 1.14122317861905
Energy: 0.6963075600247655
Energy: 0.9990285907209908
Energy: 0.6945215229113768
Energy: 1.1417613396217223
Energy: 0.6945215229113768
Energy: 0.9982307315877529
Energy: 0.6962863996168752
Energy: 1.1405010752699318
Energy: 0.6962863996168752
Energy: 0.811978213712221
Energy: 0.6320121483051043
Energy: 1.140466134420858
Energy: 0.6320121483051043
Energy: 0.8155675276426585
Energy: 0.6254893608601281
Energy: 1.2855045836305388
Energy: 0.6254893608601281
Energy: 0.8165716774439714
Energy: 0.6267870087669962
Energy: 1.2836898368284382
Energy: 0.6267870087669962
Energy: 0.6267669220449801
Energy: 0.6309153090252166
Energy: 1.193537768831781
Energy: 0.6309153090252166
Energy: 0.6295922205743205
Energy: 0.6264279142130301
Energy: 1.283503032089339
Energy: 0.6264279142130301
Energy: 0.627646772490662
Energy: 0.6290431009058469
Energy: 1.276632365281916
Energy: 0.6290431009058469
Energy: 0.6396923592006237
Energy: 0.6336472818051254
Energy: 1.27434327350443
Energy: 0.6336472818051254
Energy: 0.8137771388224181
Energy: 0.625217375002952
Energy: 1.2804686009225072
Energy: 0.625217375002952
Energy: 0.8165334433374714
Energy: 0.6271401029115309
Energy: 1.2835636306994076
Energy: 0.6271401029115309
Energy: 1.0077307854455575
Energy: 0.6291389427161121
Energy: 1.276739024275639
Energy: 0.6291389427161121
Energy: 0.811389322733588
Energy: 0.6993579021435133
Energy: 1.143302449747242
Energy: 0.6993579021435133
Energy: 1.1412685346726608
Energy: 0.6954369857031978
Energy: 0.9985582961381352
Energy: 0.6954369857031978
Energy: 1.2829248368556756
Energy: 0.6955776733304996
Energy: 0.999015717114935
Energy: 0.6955776733304996
Energy: 1.1952380758119454
Energy: 0.6300047037469397
Energy: 0.8182527595734047
Energy: 0.6300047037469397
Energy: 1.2834168846438232
Energy: 0.6248284129517635
Energy: 0.6262355151431565
Energy: 0.6248284129507912
Energy: 1.2768274997308136
Energy: 0.6285513452561212
Energy: 0.811503776987556
Energy: 0.6285513452561212
Energy: 1.1448343480920313
Energy: 0.6281830742655035
Energy: 0.6337774356589342
Energy: 0.6281830742655035
Energy: 1.280898780570893
Energy: 0.625152336796502
Energy: 0.6258678908097443
Energy: 0.625152336796502
Energy: 1.2815294823373833
Energy: 0.6274503656061651
Energy: 0.6311338464081796
Energy: 0.6274503656061651

minimum gb energy = 0.6248284129507912 eV
minimum distance =  2.2999096517344 Angstroms
sigma value = 41


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

Energy: 1.5170115334675827
Energy: 0.5760046659375783
Energy: 0.8286070489703146
Energy: 0.5706173517468529
Energy: 1.362120606760135
Energy: 0.5683114743150428
Energy: 0.720375808811623
Energy: 0.5683114743150428
Energy: 1.3588685533155893
Energy: 0.5670631798370533
Energy: 0.7245573743757925
Energy: 0.5670631798362562
Energy: 1.134629530991057
Energy: 0.5701178483235642
Energy: 0.8900033414576228
Energy: 0.5701178483235642
Energy: 1.2486452454494608
Energy: 0.5653155528530766
Energy: 1.0033711586283323
Energy: 0.5653155528530766
Energy: 1.1281252311245689
Energy: 0.5671516516839136
Energy: 1.004525801404927
Energy: 0.5671516516839136
Energy: 1.1321382045728337
Energy: 0.6263402048773481
Energy: 1.1336918153245124
Energy: 0.6263402048781451
Energy: 1.0113190161973864
Energy: 0.6317607913205218
Energy: 1.0038732275583289
Energy: 0.6317607913197246
Energy: 0.8743430380362682
Energy: 0.5677133305911792
Energy: 1.2429287068943675
Energy: 0.5677133305975564
Energy: 0.8764808354045495
Energy: 0.5656463133006547
Energy: 1.2481654253175039
Energy: 0.5656463133006547
Energy: 0.732422253388085
Energy: 0.5725163872161863
Energy: 1.2389772455153363
Energy: 0.5725163872161863
Energy: 0.7192150894270456
Energy: 0.5662966418348548
Energy: 1.3590469930107918
Energy: 0.5662966418340577
Energy: 0.7223921115818174
Energy: 0.5689604815784787
Energy: 1.362121677242113
Energy: 0.5689604815784787
Energy: 0.576151708943534
Energy: 0.5704391414579109
Energy: 1.2378568795160425
Energy: 0.5704391414579109
Energy: 0.568392343099202
Energy: 0.5678002706169276
Energy: 1.3558842906914357
Energy: 0.5678002706177249
Energy: 0.5725166427013687
Energy: 0.5684729062061227
Energy: 1.3602711612156682
Energy: 0.5684729062061227
Energy: 0.7294395062589313
Energy: 0.5709680544234018
Energy: 1.3503127618050659
Energy: 0.5709680544234018
Energy: 0.7173385051085128
Energy: 0.5654374241317232
Energy: 1.3554924475462058
Energy: 0.5654374241317232
Energy: 0.723652424797117
Energy: 0.5707811046572947
Energy: 1.1299065577533822
Energy: 0.5707811046572947
Energy: 1.0045696452793604
Energy: 0.5684794893232309
Energy: 1.12812638943894
Energy: 0.5684794893232309
Energy: 1.0252570870508582
Energy: 0.5662349129750681
Energy: 1.2403415637076236
Energy: 0.5662349129750681
Energy: 1.0054289519119335
Energy: 0.6250290271025697
Energy: 1.135457108747042
Energy: 0.6250290271025697
Energy: 1.2438002315543935
Energy: 0.6228320069072004
Energy: 1.1257326842863966
Energy: 0.6228320069072004
Energy: 1.0033044311116848
Energy: 0.6239261452181559
Energy: 1.0041514070309139
Energy: 0.6239261452181559
Energy: 1.2415577072029895
Energy: 0.5662709793563875
Energy: 0.8670450612521311
Energy: 0.5662709793181246
Energy: 1.2434591232231242
Energy: 0.5680103245196839
Energy: 1.0024472454910485
Energy: 0.5680103245188869
Energy: 1.2487002395715705
Energy: 0.5712080624838975
Energy: 0.7244791807767622
Energy: 0.5712080624838975
Energy: 1.3548028155508531
Energy: 0.5661272744389372
Energy: 0.7165063677037856
Energy: 0.5661272744429229
Energy: 1.2461012040358004
Energy: 0.5705960494929201
Energy: 0.7284203993253627
Energy: 0.5705960494929201
Energy: 1.2440352783595134
Energy: 0.5686204142182087
Energy: 0.5685032644053285
Energy: 0.5686204142182087
Energy: 1.3558693837557716
Energy: 0.5674425105895742
Energy: 0.5677585933882865
Energy: 0.5674425105895742
Energy: 1.3505193074317625
Energy: 0.5730401966968938
Energy: 0.5759265441895929
Energy: 0.5730401966968938

minimum gb energy = 0.5653155528530766 eV
minimum distance =  2.3004253999986 Angstroms
sigma value = 15


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

Energy: 1.3146103965287992
Energy: 0.5319068649089045
Energy: 0.794733315140187
Energy: 0.5295471072921936
Energy: 1.4126051236561128
Energy: 0.5236654124931207
Energy: 0.6499370671271322
Energy: 0.5236654124931207
Energy: 1.4124168477954022
Energy: 0.5225920357087095
Energy: 0.6542450970957084
Energy: 0.5225920357087095
Energy: 1.2223236558364876
Energy: 0.5263097289082862
Energy: 0.9076950666637904
Energy: 0.5263097289082862
Energy: 1.2143624104169173
Energy: 0.51992063365208
Energy: 0.8961205540114728
Energy: 0.51992063365208
Energy: 1.2152485306252476
Energy: 0.5206658354247625
Energy: 0.8978933270195355
Energy: 0.5206658354247625
Energy: 1.0117582279663937
Energy: 0.529845085939489
Energy: 1.1112779065484606
Energy: 0.5298450859408397
Energy: 1.1152229541678664
Energy: 0.5735559159224282
Energy: 0.8969490867102609
Energy: 0.5735559159217529
Energy: 1.008490815793548
Energy: 0.5691608946401175
Energy: 1.1085317433436899
Energy: 0.5691608946394423
Energy: 1.0068162437921624
Energy: 0.5700731614294154
Energy: 1.3087600739128242
Energy: 0.5700731614172603
Energy: 0.905190682330512
Energy: 0.5249186834629979
Energy: 1.1212149963094526
Energy: 0.5249186834562449
Energy: 0.7769792748092501
Energy: 0.5196582211746933
Energy: 1.3095555548725242
Energy: 0.5196582211841472
Energy: 0.8983776665953349
Energy: 0.5213863404487434
Energy: 1.311611766255413
Energy: 0.5213863404487434
Energy: 0.663586807078899
Energy: 0.5273480226544092
Energy: 1.119040382625918
Energy: 0.5273480226537339
Energy: 0.6486138297788194
Energy: 0.5206439337946898
Energy: 1.4074122066028758
Energy: 0.5206439337953651
Energy: 0.6600502517386511
Energy: 0.525154785254818
Energy: 1.3150621696646312
Energy: 0.5251547852554932
Energy: 0.5286923081084547
Energy: 0.5255799648130021
Energy: 1.3189721567344717
Energy: 0.5255799648130021
Energy: 0.5213366144911856
Energy: 0.521082096788931
Energy: 1.406689736519781
Energy: 0.521082096788931
Energy: 0.5305696754278519
Energy: 0.5249751808059359
Energy: 1.2170237440694334
Energy: 0.5249751808059359
Energy: 0.6605874578679453
Energy: 0.5236464239384894
Energy: 1.41373896640813
Energy: 0.5236464239391646
Energy: 0.6468161247160689
Energy: 0.520794210766225
Energy: 1.4072489720414918
Energy: 0.5207942107669002
Energy: 0.6627981670219136
Energy: 0.5252888206600944
Energy: 1.2218923884118493
Energy: 0.5252888206600944
Energy: 0.8977245507006436
Energy: 0.5216830026763989
Energy: 1.2125420606523039
Energy: 0.5216830026763989
Energy: 0.8963257843174836
Energy: 0.5200112619765288
Energy: 1.3108681421689956
Energy: 0.5200112619765288
Energy: 0.907153439899543
Energy: 0.5241904317785153
Energy: 1.0167914518766177
Energy: 0.5241904317785153
Energy: 1.1116715806597306
Energy: 0.5697175137618923
Energy: 1.2210228558935845
Energy: 0.5697175137618923
Energy: 0.8960692563021678
Energy: 0.5693269492254127
Energy: 1.1100056803968916
Energy: 0.5693269492247375
Energy: 1.1165103780969663
Energy: 0.5737477482067815
Energy: 1.0167650387137486
Energy: 0.5737477482061062
Energy: 1.1147084235872955
Energy: 0.5290485612713596
Energy: 1.1119210441249363
Energy: 0.529048561369952
Energy: 1.1113647633608772
Energy: 0.520954119084801
Energy: 0.8992135055017594
Energy: 0.5209541190685941
Energy: 1.314667447644192
Energy: 0.5202713004500906
Energy: 0.7764492064073537
Energy: 0.520271300450766
Energy: 1.117557416040292
Energy: 0.5276194854114294
Energy: 0.9052176990061702
Energy: 0.5276194854114294
Energy: 1.31256106202432
Energy: 0.5227705537877185
Energy: 0.6540357290002919
Energy: 0.5227705537877185
Energy: 1.3081960710976457
Energy: 0.5225938109306496
Energy: 0.6561543915925052
Energy: 0.5225938109306496
Energy: 1.307544920688361
Energy: 0.5274951119721742
Energy: 0.5370267121457755
Energy: 0.5274951119728496
Energy: 1.411256710102902
Energy: 0.5248796222916385
Energy: 0.5267845853008486
Energy: 0.5248796222916385
Energy: 1.4086114849196252
Energy: 0.5242158398922561
Energy: 0.5236729951031079
Energy: 0.5242158398922561

minimum gb energy = 0.5196582211746933 eV
minimum distance =  2.30454400473548 Angstroms
sigma value = 85


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

Energy: 1.4593844494567427
Energy: 0.48871063689213623
Energy: 0.46869942690862587
Energy: 0.46839204974631005
Energy: 1.4290472379668593
Energy: 0.470209500461507
Energy: 0.5857555726384402
Energy: 0.470209500461507
Energy: 1.3047672244990276
Energy: 0.4696615972391856
Energy: 0.5862119361548017
Energy: 0.4696615972391856
Energy: 1.1241330525576498
Energy: 0.4726817178300228
Energy: 0.8026141200577255
Energy: 0.4726817178300228
Energy: 1.349225911315114
Energy: 0.4678321666083852
Energy: 0.7990850062752503
Energy: 0.4678321666089709
Energy: 1.128933746297512
Energy: 0.4689008872393837
Energy: 0.8028544672827423
Energy: 0.46890088723996937
Energy: 1.1256048076183325
Energy: 0.46972448603414685
Energy: 0.9960747078772635
Energy: 0.46972448603648953
Energy: 1.180171521642779
Energy: 0.46816580354598947
Energy: 0.8508095605077283
Energy: 0.4681658030928853
Energy: 1.127327048021322
Energy: 0.4692061071949547
Energy: 0.992189133995258
Energy: 0.46920610719144057
Energy: 1.1311603743347174
Energy: 0.5549070990392633
Energy: 1.1722939762508398
Energy: 0.5549070990392633
Energy: 0.9928665571048615
Energy: 0.4683184647370025
Energy: 1.0356020452770431
Energy: 0.4683184647920299
Energy: 0.9486168087094657
Energy: 0.46789535833472234
Energy: 1.1724101961766382
Energy: 0.4678953583341367
Energy: 0.992232931028605
Energy: 0.4676040304471769
Energy: 1.217400096120033
Energy: 0.4676040304471769
Energy: 0.8016542369934093
Energy: 0.4703453364736106
Energy: 1.0331775164257175
Energy: 0.4703453364736106
Energy: 0.7442209800063508
Energy: 0.46751964616189684
Energy: 1.3444301556423002
Energy: 0.46751964616189684
Energy: 0.8051135247847311
Energy: 0.47051043717081764
Energy: 1.21909173793653
Energy: 0.47051043717081764
Energy: 0.5794299098155784
Energy: 0.4706147663523347
Energy: 1.2144566774769876
Energy: 0.4706147663523347
Energy: 0.5804745223727382
Energy: 0.4684047411966453
Energy: 1.389106993625523
Energy: 0.4684047411937169
Energy: 0.5760363639340857
Energy: 0.46894028038991376
Energy: 1.3854209711901933
Energy: 0.46894028038991376
Energy: 0.5331583720496518
Energy: 0.4674528340486393
Energy: 1.38541128317562
Energy: 0.46745283404805366
Energy: 0.5221982242559953
Energy: 0.4654469512310891
Energy: 1.4303213238801145
Energy: 0.4654469512310891
Energy: 0.5256725099077058
Energy: 0.4681745386315883
Energy: 1.258017607131389
Energy: 0.4681745386315883
Energy: 0.6487391425237005
Energy: 0.46964690339259124
Energy: 1.426854356933123
Energy: 0.46964690339259124
Energy: 0.6371167794233342
Energy: 0.46741136901526775
Energy: 1.4293596775013797
Energy: 0.4674113690146821
Energy: 0.6468345018269025
Energy: 0.4656109695750209
Energy: 1.1237815717594295
Energy: 0.4656109695761923
Energy: 0.7973029076974998
Energy: 0.4678724047023628
Energy: 1.4334007924966055
Energy: 0.4678724047023628
Energy: 0.79659743851926
Energy: 0.46730337522703363
Energy: 1.3039080344022898
Energy: 0.46730337522703363
Energy: 0.8963965045705856
Energy: 0.46848781537760803
Energy: 1.1259920465586886
Energy: 0.46848781537760803
Energy: 0.994970619328814
Energy: 0.46705862261996295
Energy: 1.3042053272419052
Energy: 0.46705862261937725
Energy: 0.9930111505773365
Energy: 0.4671592524652353
Energy: 1.1283394406834446
Energy: 0.4671592525337333
Energy: 1.1755683690693475
Energy: 0.5547265035487997
Energy: 0.9463786378624467
Energy: 0.5547265035493854
Energy: 1.0354705490827967
Energy: 0.5548157003143956
Energy: 1.1365574586201426
Energy: 0.5548157003114672
Energy: 1.1748422315883842
Energy: 0.6249146991108128
Energy: 0.9449880694592571
Energy: 0.6249146991108128
Energy: 1.2682348480209422
Energy: 0.4694699641320352
Energy: 0.9461754869475136
Energy: 0.46946996413262093
Energy: 1.033690465809982
Energy: 0.4712983391029587
Energy: 0.8025554797274247
Energy: 0.4712983391029587
Energy: 1.3483777423579117
Energy: 0.46800254619260123
Energy: 0.7987538820102906
Energy: 0.46800254619260123
Energy: 1.3901879210770176
Energy: 0.46894718386706463
Energy: 0.8022161678022814
Energy: 0.46894718386706463
Energy: 1.2144778371738998
Energy: 0.4692261001717979
Energy: 0.5867017417824496
Energy: 0.4692261001717979
Energy: 1.4344098849903049
Energy: 0.4681586728014092
Energy: 0.5812225842456966
Energy: 0.4681586728014092
Energy: 1.3854613436909669
Energy: 0.46849817488296874
Energy: 0.5906970550036682
Energy: 0.46849817488296874
Energy: 1.212649749276639
Energy: 0.4699707116231113
Energy: 0.46856979934721316
Energy: 0.4699707116231113
Energy: 1.4318622144859954
Energy: 0.4681796778833735
Energy: 0.4686861653624406
Energy: 0.4681796778833735
Energy: 1.3009343837421783
Energy: 0.471659490934463
Energy: 0.46875985080542354
Energy: 0.471659490934463

minimum gb energy = 0.4654469512310891 eV
minimum distance =  2.29119232119121 Angstroms
sigma value = 113


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

Energy: 0.015599094670584639
Energy: 0.01639343456475881
Energy: 1.0781205089524313
Energy: 0.4132050386441099
Energy: 0.016381925332068364
Energy: 0.11096923707545508
Energy: 0.7702466570937168
Energy: 0.11096923707545508
Energy: 0.016269429645854868
Energy: 0.10937695878080271
Energy: 0.7662505424362573
Energy: 0.10937695878080271
Energy: 0.017393421888779292
Energy: 0.11182310949785458
Energy: 0.7731825512816176
Energy: 0.11182310949785458
Energy: 0.7676808019459337
Energy: 0.11098537058862015
Energy: 0.7718774355303086
Energy: 0.11098537058862015
Energy: 0.01611321610365664
Energy: 0.10917186884955209
Energy: 0.7680865674958627
Energy: 0.10917186884955209

minimum gb energy = 0.015599094670584639 eV
minimum distance =  2.50241212836392 Angstroms
sigma value = 1