Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Cu__MO_759493141826_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614958965778353
cohesive_energy=3.5402732499842564
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=[1.4503143217463098e-19, 2.16689583218598e-19, 2.71517669810712e-19, 3.14797267224954e-19, 3.5145987514077595e-19, 3.8389113456620394e-19, 4.1236982423555394e-19, 4.36995279100134e-19, 4.58172849848346e-19, 4.763799851171219e-19, 4.920412617144719e-19, 5.05497943263438e-19, 5.1704002373477395e-19, 5.26912636153482e-19, 5.35336880895054e-19, 5.42503416978936e-19, 5.485740642451619e-19, 5.536769968244519e-19, 5.579019366083099e-19, 5.61300153249024e-19, 5.639020881026399e-19, 5.65733375995302e-19, 5.668132430466179e-19, 5.671673240827319e-19, 5.667908125737419e-19, 5.65577964861804e-19, 5.63434252525512e-19, 5.60266749320094e-19, 5.557069546197299e-19, 5.4941040044811e-19, 5.410550493017999e-19, 5.30285217968052e-19, 5.16698760111732e-19, 4.998310445089799e-19, 4.7913893328087e-19, 4.53949512241122e-19, 4.23389595124206e-19, 3.8624953857145196e-19, 3.40834239704088e-19, 2.84828553285984e-19, 2.15207569832148e-19, 1.281053973424014e-19, 1.8459798523957798e-20, -1.210232959671312e-19, -3.02069576044458e-19, -5.43419862013584e-19, -8.715424323035158e-19, -1.322185051972062e-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: 0.0 eV

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

Energy: 0.013668640390424387
Energy: 0.09664816247732413
Energy: 0.5518156903036875
Energy: 0.014298562750548046
Energy: 0.0966481624797982
Energy: 0.5342936858489306
Energy: 0.014298562750548046
Energy: 0.5342936858471186
Energy: 0.5518156902994014
Energy: 0.014298562750548046
Energy: 0.013668640390424387
Energy: 0.0966481624797982
Energy: 0.014298562750548046
Energy: 0.5342936858483381
Energy: 0.09664816247795134
Energy: 0.5342936858489306

minimum gb energy = 0.013668640390424387 eV
minimum distance =  2.51651977690342 Angstroms
sigma value = 1


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

Energy: 1.0772406791359572
Energy: 0.7691669470902965
Energy: 0.7696985217561232
Energy: 0.7067195941886497
Energy: 0.7203041434276628
Energy: 0.7765749208694572
Energy: 0.7208072827678333
Energy: 0.7765749208686966
Energy: 0.769977669234997
Energy: 0.7694959699625403
Energy: 1.168108007805936
Energy: 0.7694959699640617
Energy: 0.7215488697198762
Energy: 0.7200072038456411
Energy: 0.7208947648669543
Energy: 0.7200072038464016
Energy: 1.00171386012927
Energy: 0.7200299429645514
Energy: 0.7212075812812501
Energy: 0.7200299429645514
Energy: 0.7586118262886802
Energy: 0.7711558665567461
Energy: 0.7208973445884241
Energy: 0.7711558665575068
Energy: 0.7577197810105434
Energy: 0.7692933170254548
Energy: 1.0011101406337433
Energy: 0.7692933170262155
Energy: 0.757963759294736
Energy: 0.8001338387725991
Energy: 0.7829836766572893
Energy: 0.8001338387741206
Energy: 0.8678137722653143
Energy: 0.7885940566516785
Energy: 0.7720626527628398
Energy: 0.7885940566509178
Energy: 0.7905706623116293
Energy: 0.793567502379964
Energy: 0.7725441764634271
Energy: 0.793567502379964
Energy: 0.7695377368151737
Energy: 0.7880434260703033
Energy: 0.867375991972685
Energy: 0.7880434260695425
Energy: 0.7571691196582816
Energy: 0.7869951099261564
Energy: 0.7812551798336659
Energy: 0.7869951099253956
Energy: 0.7720642360296223
Energy: 0.7690331083905657
Energy: 0.7346379149230793
Energy: 0.7690331083913264
Energy: 0.7564166610023549
Energy: 0.7696762409305934
Energy: 0.7347414183254537
Energy: 0.7696762409313542
Energy: 0.7343943701972562
Energy: 0.7196994927664762
Energy: 0.7197185059856483
Energy: 0.7196994927657154
Energy: 0.7037852366091016
Energy: 0.7208439750857858
Energy: 0.7204716947339194
Energy: 0.7208439750865464
Energy: 0.7689247770406106
Energy: 0.768696300772737
Energy: 0.7032626523911567
Energy: 0.768696300772737
Energy: 0.7208112015946011
Energy: 0.7202217766167837
Energy: 0.7343574473561871
Energy: 0.7202217766167837
Energy: 0.7202250865853648
Energy: 0.7701611904428373
Energy: 0.7716016404809284
Energy: 0.77016119044588
Energy: 0.755867206060286
Energy: 0.7198444012516265
Energy: 0.7215972797627103
Energy: 0.7198444012523872
Energy: 0.7239044833528857
Energy: 0.7213844752746325
Energy: 0.7546330181602994
Energy: 0.7213844752738717
Energy: 0.7214578158789676
Energy: 0.72034210536181
Energy: 0.7579844776424222
Energy: 0.7203421053610493
Energy: 0.7552831437279454
Energy: 0.7706823726794515
Energy: 0.7557198465606869
Energy: 0.7706823726794515
Energy: 0.782948913885108
Energy: 0.769960014025162
Energy: 0.7599157606239108
Energy: 0.769960014025162
Energy: 0.7729928697053251
Energy: 0.7889678941307269
Energy: 0.8676671352592662
Energy: 0.7889678941307269
Energy: 0.7736933326347099
Energy: 0.7864375006839314
Energy: 0.7921587876788156
Energy: 0.7864375006846921
Energy: 0.8687896743964139
Energy: 0.7880052614772747
Energy: 0.7695100669932319
Energy: 0.7880052614772747
Energy: 0.7804573296579405
Energy: 0.7874427839550916
Energy: 0.7573083413810644
Energy: 0.7874427839550916
Energy: 0.7342677940187163
Energy: 0.7688988658018309
Energy: 0.7718830518249448
Energy: 0.7688988658018309
Energy: 0.7342795521946439
Energy: 0.7694539252114807
Energy: 0.757310153759528
Energy: 0.76945392521072
Energy: 0.7192324100875704
Energy: 0.7197816025156534
Energy: 0.7342069408677061
Energy: 0.7197816025148928
Energy: 0.7205008126439726
Energy: 0.7203549605003319
Energy: 0.7040823193307131
Energy: 0.7203549604995714
Energy: 0.7032889592356257
Energy: 0.7220208710357333
Energy: 0.7693392679068276
Energy: 0.7220208710357333

minimum gb energy = 0.7032626523911567 eV
minimum distance =  2.28174186014086 Angstroms
sigma value = 1


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

Energy: 1.225687724836248
Energy: 0.8111918877121701
Energy: 0.8124744434590125
Energy: 0.7387899989774884
Energy: 0.755122728589381
Energy: 0.813243359196686
Energy: 0.7552306702007324
Energy: 0.8132433591932169
Energy: 0.8098010139090926
Energy: 0.8113939232344258
Energy: 1.126047309061428
Energy: 0.8113939232352932
Energy: 0.757664710110735
Energy: 0.7556154998277576
Energy: 0.7548346618128087
Energy: 0.7556154998277576
Energy: 0.7555843611349721
Energy: 0.7560738456244773
Energy: 0.7575041945936355
Energy: 0.7560738456279467
Energy: 0.7984282965454199
Energy: 0.8432042639196412
Energy: 0.7563136150513222
Energy: 0.8432042639196412
Energy: 0.8005923141576758
Energy: 0.8157903123865435
Energy: 0.9495884780979177
Energy: 0.8157903123856762
Energy: 0.7975148592258358
Energy: 0.816627021524186
Energy: 0.8225939424760663
Energy: 0.8166270215276552
Energy: 0.7984124799741639
Energy: 0.8356700495170364
Energy: 0.8087476093637969
Energy: 0.8356700495179037
Energy: 0.8215730667628147
Energy: 0.8416749762852105
Energy: 0.7992827505904049
Energy: 0.8416749762869451
Energy: 0.7757235479457444
Energy: 0.8153056711261742
Energy: 0.8247808950188403
Energy: 0.8153056711287763
Energy: 0.7756008673725868
Energy: 0.8169910061277289
Energy: 0.7974983318270935
Energy: 0.816991006132933
Energy: 0.7562440791631865
Energy: 0.755664595507098
Energy: 0.7747699420436523
Energy: 0.755664595507098
Energy: 0.7547836190159866
Energy: 0.7555143630126767
Energy: 0.7347192037592859
Energy: 0.7555143630092076
Energy: 0.7337262511457774
Energy: 0.8108692302081157
Energy: 0.8110995513005216
Energy: 0.8108692302124524
Energy: 0.7749980815263564
Energy: 0.7556494610806168
Energy: 0.7549799886780011
Energy: 0.7556494610858209
Energy: 0.811476999926759
Energy: 0.8120417964779967
Energy: 0.7553764893433151
Energy: 0.8120417964753947
Energy: 0.7574448807327594
Energy: 0.7560475815077282
Energy: 0.7957062849868185
Energy: 0.7560475815077282
Energy: 0.7558118558712934
Energy: 0.7584412182458623
Energy: 0.7572773227007159
Energy: 0.758441218250199
Energy: 0.7988025960403958
Energy: 0.755839980281173
Energy: 0.7561387581247455
Energy: 0.7558399802837751
Energy: 0.7973423873632853
Energy: 0.8174640356161347
Energy: 0.7959292012514113
Energy: 0.8174640356196039
Energy: 0.7959118885624764
Energy: 0.8168582969782517
Energy: 0.8235124141144706
Energy: 0.8168582969791192
Energy: 0.7995037815764093
Energy: 0.8359335857763137
Energy: 0.8088309880914504
Energy: 0.8359335857754463
Energy: 0.7992343060366698
Energy: 0.834928313956335
Energy: 0.7984483267466098
Energy: 0.8349283139511312
Energy: 0.775691220925309
Energy: 0.8152865821282032
Energy: 0.825144466095839
Energy: 0.8152865821282032
Energy: 0.7756065539873899
Energy: 0.8160844267158396
Energy: 0.7980454077167355
Energy: 0.8160844267115029
Energy: 0.7557980643032858
Energy: 0.7563542676360614
Energy: 0.7742116426104231
Energy: 0.7563542676369288
Energy: 0.7546850409894855
Energy: 0.7555284481067076
Energy: 0.7345321610261211
Energy: 0.7555284481171156
Energy: 0.7336701638183953
Energy: 0.7577984091534633
Energy: 0.8115170109022737
Energy: 0.7577984091595346

minimum gb energy = 0.7336701638183953 eV
minimum distance =  2.28828562353621 Angstroms
sigma value = 25


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

Energy: 1.175452361939157
Energy: 0.8579951874630689
Energy: 0.8573644294940264
Energy: 0.7719705876299228
Energy: 0.796129613023437
Energy: 0.8514340334862813
Energy: 0.7959352893179544
Energy: 0.8514340334852731
Energy: 0.8567930861803227
Energy: 0.857185935249286
Energy: 0.7930458733472316
Energy: 0.857185935249286
Energy: 0.796630595133781
Energy: 0.7962089122092072
Energy: 0.7957421095494647
Energy: 0.7962089122092072
Energy: 0.7942765124485764
Energy: 0.7964792083122474
Energy: 0.795687517515287
Energy: 0.7964792083132557
Energy: 0.8355885735324174
Energy: 0.8962138013673507
Energy: 0.7957478400670717
Energy: 0.8962138013683589
Energy: 0.8346177730855561
Energy: 0.8743634533169838
Energy: 0.8328523097868656
Energy: 0.8743634533190002
Energy: 0.832994067238575
Energy: 0.8738602491954156
Energy: 0.8246913690249689
Energy: 0.8738602491964238
Energy: 0.8339244397259211
Energy: 0.8747222776727119
Energy: 0.822978617138805
Energy: 0.8747222776737201
Energy: 0.8357390208176876
Energy: 0.8739037839416839
Energy: 0.7960676909997091
Energy: 0.8739037839426922
Energy: 0.7658307048244724
Energy: 0.7959031190275531
Energy: 0.7945800771899248
Energy: 0.7959031190275531
Energy: 0.7656996542014672
Energy: 0.7962397439910941
Energy: 0.7955157288150014
Energy: 0.7962397439910941
Energy: 0.8563450663750677
Energy: 0.8575704912694118
Energy: 0.7648230928055769
Energy: 0.8575704912684036
Energy: 0.7957342592849762
Energy: 0.7962154339614834
Energy: 0.8224204910509202
Energy: 0.7962154339604751
Energy: 0.7943367825679418
Energy: 0.8581455893087027
Energy: 0.8592168982360058
Energy: 0.8581455893087027
Energy: 0.7949007696366328
Energy: 0.7955938015987319
Energy: 0.7966994985243743
Energy: 0.7955938015987319
Energy: 0.797213506003948
Energy: 0.7990108458272395
Energy: 0.7947798697696608
Energy: 0.7990108458282478
Energy: 0.795868617504687
Energy: 0.7959401045751606
Energy: 0.7979845225999184
Energy: 0.7959401045761689
Energy: 0.8327015546736032
Energy: 0.8739999882921323
Energy: 0.8382778692699017
Energy: 0.8739999882931405
Energy: 0.7954979470601945
Energy: 0.8749021511119058
Energy: 0.8348262082979477
Energy: 0.8749021511119058
Energy: 0.8235153876460454
Energy: 0.8865429202035635
Energy: 0.8935289279171863
Energy: 0.8865429202035635
Energy: 0.8235472275599462
Energy: 0.8750110404566732
Energy: 0.8346930728814795
Energy: 0.8750110404556649
Energy: 0.7943169031555053
Energy: 0.7964248636331549
Energy: 0.7656163997845103
Energy: 0.7964248636341631
Energy: 0.7954309422006827
Energy: 0.7964742757896919
Energy: 0.7657745672869253
Energy: 0.7964742757886837
Energy: 0.7645847596404303
Energy: 0.7968138216273739
Energy: 0.8566862870398172
Energy: 0.7968138216283823

minimum gb energy = 0.7645847596404303 eV
minimum distance =  2.29560447010437 Angstroms
sigma value = 9


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

Energy: 1.0981552456250134
Energy: 0.9075748278485973
Energy: 0.908240236662456
Energy: 0.8000830431369251
Energy: 0.8402676676247257
Energy: 0.8871260836316834
Energy: 0.8403688838160347
Energy: 0.8871260836340888
Energy: 0.9074842264534325
Energy: 0.9073985734323248
Energy: 0.9047868249728663
Energy: 0.9073985734323248
Energy: 0.8353267380769287
Energy: 0.8876673014470453
Energy: 0.8396446774922534
Energy: 0.8876673014470453
Energy: 0.8354182297701102
Energy: 0.842981845544428
Energy: 0.8387196069722914
Energy: 0.8429818455468335
Energy: 0.8339364402380589
Energy: 0.8424039092416564
Energy: 0.8408784125520065
Energy: 0.8424039092416564
Energy: 0.8813704935674291
Energy: 0.9450438743071423
Energy: 0.8394720526964601
Energy: 0.945043874308345
Energy: 0.8410951846845274
Energy: 0.9416190928905416
Energy: 0.8410732439197868
Energy: 0.9416190928953525
Energy: 0.8404434764245244
Energy: 0.8437586483155315
Energy: 0.7925773165073714
Energy: 0.8437586483143286
Energy: 0.840683462362916
Energy: 0.843473366673
Energy: 0.7927060424675638
Energy: 0.8434733666754055
Energy: 0.7908853075117448
Energy: 0.9065859396137855
Energy: 0.9060682935877539
Energy: 0.9065859396137855
Energy: 0.8751385956317334
Energy: 0.8430321613440707
Energy: 0.8405418656611764
Energy: 0.8430321613428953
Energy: 0.9080187101117803
Energy: 0.9073560730401198
Energy: 0.9051517779474008
Energy: 0.9073560730401198
Energy: 0.9073473410818608
Energy: 0.8884734592503775
Energy: 0.9057623591692737
Energy: 0.8884734592503775
Energy: 0.8357622096134907
Energy: 0.836679370984103
Energy: 0.8398133456138636
Energy: 0.8366793709829001
Energy: 0.8342171437323357
Energy: 0.8432349539751732
Energy: 0.8394370977808213
Energy: 0.8432349539739705
Energy: 0.8731866899235164
Energy: 0.9473081578172416
Energy: 0.8387501243574366
Energy: 0.9473081578196472
Energy: 0.8716508217103754
Energy: 0.9447110176990057
Energy: 0.8404788710332659
Energy: 0.9447110176990057
Energy: 0.8403071353221184
Energy: 0.8440930909343708
Energy: 0.7925179238186063
Energy: 0.8440930909319653
Energy: 0.8405507765342156
Energy: 0.843520176256363
Energy: 0.7928685577312043
Energy: 0.843520176256363
Energy: 0.7904618140378126
Energy: 0.8345904637543722
Energy: 0.906183726412145
Energy: 0.8345904637519941

minimum gb energy = 0.7904618140378126 eV
minimum distance =  2.31372245176994 Angstroms
sigma value = 25


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

Energy: 0.9879752899049521
Energy: 0.9607055145283511
Energy: 0.9610801200577564
Energy: 0.8243291514986035
Energy: 0.960829594986548
Energy: 0.887440030149124
Energy: 0.8400304196172359
Energy: 0.8874400301506115
Energy: 0.9602419191483998
Energy: 0.9604613443925729
Energy: 0.9673284879651728
Energy: 0.9604613443925729
Energy: 0.961397845151728
Energy: 0.8882251363260503
Energy: 0.8395680786047246
Energy: 0.8882251363260503
Energy: 0.8351490186384357
Energy: 0.8398722989190768
Energy: 0.8419137137597648
Energy: 0.8398722989220517
Energy: 0.8183242067809277
Energy: 0.8411520866229948
Energy: 0.8375174435238927
Energy: 0.8411520866423317
Energy: 0.8146259951002769
Energy: 0.8395173264953619
Energy: 0.8405651211040007
Energy: 0.8395173264953619
Energy: 0.8152317959215198
Energy: 0.8890117043194672
Energy: 0.8423660182121778
Energy: 0.8890117043194672
Energy: 0.9584578776214224
Energy: 0.9587577343049257
Energy: 1.0952998155756704
Energy: 0.9587577343064131
Energy: 0.9612378087225364
Energy: 0.8915858163804448
Energy: 0.9554906339504233
Energy: 0.8915858163804448
Energy: 0.9680525016170223
Energy: 0.9598470385344903
Energy: 0.9650625081630911
Energy: 0.9598470385344903
Energy: 0.957605233988916
Energy: 0.890099524409808
Energy: 0.9591470006792026
Energy: 0.8900995244112955
Energy: 0.8383762169846278
Energy: 0.8217157512839273
Energy: 0.8352894547902733
Energy: 0.8217157512854147
Energy: 0.8411138546476155
Energy: 0.839920801224271
Energy: 0.8202215597217526
Energy: 0.8399208012257585
Energy: 0.8404643850733104
Energy: 0.9255725390052258
Energy: 0.8152185915050468
Energy: 0.9255725390037385
Energy: 0.8387439677460113
Energy: 0.8393170759001997
Energy: 0.8151813937791238
Energy: 0.8393170758972248
Energy: 1.093811845195686
Energy: 0.8200714148488728
Energy: 0.957235991050287
Energy: 0.8200714148488728

minimum gb energy = 0.8146259951002769 eV
minimum distance =  2.35626347663451 Angstroms
sigma value = 17


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

Energy: 1.3560481318074629
Energy: 1.062992571976295
Energy: 1.062351277713679
Energy: 0.9735079170600859
Energy: 0.8582332023271059
Energy: 0.9118505237742052
Energy: 0.9969626429844921
Energy: 0.9118505237733626
Energy: 0.9062455395885834
Energy: 0.9063928033211132
Energy: 1.063201178464301
Energy: 0.9063928033202708
Energy: 0.9066709449511637
Energy: 0.9072327595114721
Energy: 0.9069296209066592
Energy: 0.9072327595123144
Energy: 0.9061052469027439
Energy: 0.941323305594151
Energy: 0.8427059689790657
Energy: 0.9413233055924661
Energy: 0.9043854351643746
Energy: 0.8987897709971312
Energy: 0.9059629612300663
Energy: 0.8987897709988162
Energy: 0.9634055587748825
Energy: 0.9044444289428403
Energy: 0.9028439877361754
Energy: 0.904444428941998
Energy: 1.1504357177223514
Energy: 0.9087659409602248
Energy: 0.8608146449352609
Energy: 0.9087659409593825
Energy: 1.0672248918619487
Energy: 1.059379300539866
Energy: 1.0612573454754217
Energy: 1.059379300539866
Energy: 1.0569166213412005
Energy: 0.965514828757314
Energy: 0.907741033802895
Energy: 0.965514828758999
Energy: 0.9030950335358955
Energy: 0.8614219274048514
Energy: 0.8552322230895039
Energy: 0.8614219274048514
Energy: 0.9708756704179312
Energy: 0.8576076074193323
Energy: 0.86160896936484
Energy: 0.8576076074193323
Energy: 0.9643552182625222
Energy: 0.8588753750027823
Energy: 0.8595230939157963
Energy: 0.8588753750044672
Energy: 0.9650139830352719
Energy: 0.8567727190561218
Energy: 0.856344703374722
Energy: 0.8567727190552795
Energy: 1.0600967927885196
Energy: 0.9763875463148691
Energy: 1.147114280808946
Energy: 0.9763875463148691
Energy: 1.0711801247762764
Energy: 1.0610011931848102
Energy: 1.1493546496122764
Energy: 1.0610011931839678
Energy: 1.0580981695235
Energy: 0.9044828053497127
Energy: 0.9051981812885886
Energy: 0.9044828053505551
Energy: 1.0577209351490584
Energy: 0.9045248706322894
Energy: 0.9029230916578744
Energy: 0.9045248706331318
Energy: 0.9050381280473606
Energy: 0.9403385504085641
Energy: 0.9066582619799632
Energy: 0.9403385504094065
Energy: 0.9350291133917059
Energy: 0.8979800823602616
Energy: 0.9060148583957631
Energy: 0.8979800823619465
Energy: 0.9039895370275975
Energy: 0.9054100755814667
Energy: 1.059031436522417
Energy: 0.9054100755823091
Energy: 0.905421737382154
Energy: 0.9064278506490889
Energy: 0.9635036391759985
Energy: 0.9064278506499314
Energy: 0.9972525516882914
Energy: 0.9682816129804498
Energy: 0.9959539948040862
Energy: 0.9682816129812922
Energy: 1.0601007320770675
Energy: 1.0601379353873641
Energy: 1.0598303955791946
Energy: 1.0601379353873641
Energy: 0.8629458853380656
Energy: 0.8580622785000341
Energy: 1.0611997534353301
Energy: 0.8580622785008767
Energy: 0.8622498125316
Energy: 0.8573471099498846
Energy: 0.9028827522354564
Energy: 0.8573471099473573
Energy: 0.8548479031693008
Energy: 0.859350333353095
Energy: 0.9737295693959167
Energy: 0.859350333353095
Energy: 0.8601326410883791
Energy: 0.857978523305345
Energy: 0.9643823383550156
Energy: 0.857978523305345
Energy: 0.8585912560146562
Energy: 0.9067115026612143
Energy: 0.9646349227000407
Energy: 0.9067115026620567
Energy: 1.1515864390041692
Energy: 1.061178581910503
Energy: 1.0612486879896532
Energy: 1.0611785819113457

minimum gb energy = 0.8427059689790657 eV
minimum distance =  2.31980925432673 Angstroms
sigma value = 53


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

Energy: 1.2413328329905584
Energy: 0.9864152917147
Energy: 0.9851798124429466
Energy: 0.8081225294953533
Energy: 0.9633702873856336
Energy: 0.8609104076681315
Energy: 0.9651117771486224
Energy: 0.8609104076681315
Energy: 0.9828463192627659
Energy: 0.9680131917244331
Energy: 0.9698393076411763
Energy: 0.9680131917244331
Energy: 0.9689772090389933
Energy: 0.8618283622054063
Energy: 0.9675628035090065
Energy: 0.8618283622054063
Energy: 0.9762258938462071
Energy: 0.8610622718195764
Energy: 0.8022589087266255
Energy: 0.861062271817637
Energy: 0.9673913734458491
Energy: 0.8625448528078435
Energy: 0.8056992436140908
Energy: 0.8625448528078435
Energy: 1.122187850146867
Energy: 0.9658306653071695
Energy: 0.9643291683450516
Energy: 0.965830667026624
Energy: 1.1222570931315639
Energy: 0.8627355591513722
Energy: 0.9718271737109723
Energy: 0.8627355591494328
Energy: 0.9680112828430345
Energy: 0.9674579802867849
Energy: 0.9703298326264096
Energy: 0.9674579805174853
Energy: 0.9634299418053561
Energy: 0.8627485130977941
Energy: 0.9656205657602283
Energy: 0.8627485130977941
Energy: 0.9763651581273839
Energy: 0.865081184038867
Energy: 0.8070965853338241
Energy: 0.865081184038867
Energy: 0.9670275483273294
Energy: 0.8613042728015579
Energy: 0.7983710290147925
Energy: 0.8613042728015579
Energy: 1.1223742789429854
Energy: 0.8640863091654037
Energy: 0.9710672252024479
Energy: 0.8640863091634643

minimum gb energy = 0.7983710290147925 eV
minimum distance =  2.34092023105974 Angstroms
sigma value = 9


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

Energy: 1.2094526622317292
Energy: 1.110488119975049
Energy: 1.1136842850307136
Energy: 0.9959686077505618
Energy: 0.8826442524114009
Energy: 0.881891926308224
Energy: 1.079379127432461
Energy: 0.8818919263103775
Energy: 0.8829283944460413
Energy: 0.8829662225258836
Energy: 1.0670659243320448
Energy: 0.882966222524448
Energy: 0.8821725559778708
Energy: 0.8824829703367002
Energy: 1.1516589352245812
Energy: 0.8824829703367002
Energy: 0.8806331423287114
Energy: 0.8813890168031804
Energy: 1.148049672663616
Energy: 0.8813890168024625
Energy: 0.8806924058758954
Energy: 0.8818794685620314
Energy: 1.1531268640336159
Energy: 0.8818794685605957
Energy: 1.0807237109531893
Energy: 1.0681936067732607
Energy: 1.0775780302749878
Energy: 1.0681936067739788
Energy: 1.0779909163084498
Energy: 0.9821904233460116
Energy: 1.0693591108284695
Energy: 0.9821904233467295
Energy: 0.933416381200908
Energy: 0.9935990460667876
Energy: 0.9548189077876968
Energy: 0.9935990460682231
Energy: 0.8824766709575148
Energy: 0.9767138284006343
Energy: 1.0689538558523104
Energy: 0.9767138284035054
Energy: 0.9331560052109231
Energy: 0.9344260833307331
Energy: 1.016820366040809
Energy: 0.9344260833300153
Energy: 0.9417105822696692
Energy: 0.9334214031546615
Energy: 1.1463884881583395
Energy: 0.9334214031539437
Energy: 1.0813229077363204
Energy: 0.9332366848483249
Energy: 0.9473472484870511
Energy: 0.933236684847607
Energy: 1.084096112953884
Energy: 0.9324021793068341
Energy: 0.9330761413560373
Energy: 0.9324021793068341
Energy: 1.069434663825922
Energy: 0.944716128448889
Energy: 0.9370827585806517
Energy: 0.9447161284496067
Energy: 0.9880927222110951
Energy: 0.9929218788834901
Energy: 0.9381267255901056
Energy: 0.9929218788834901
Energy: 1.0707575872075723
Energy: 0.8826003118242788
Energy: 0.9357860688126622
Energy: 0.8826003118249964
Energy: 1.072128067127663
Energy: 1.0692560953088972
Energy: 1.207409566547999
Energy: 1.0692560953096153
Energy: 1.0849952483574614
Energy: 0.881757579691465
Energy: 0.9367715198727048
Energy: 0.8817575796929005
Energy: 1.1223798659193462
Energy: 0.8836678381657872
Energy: 0.8829983212220007
Energy: 0.8836678381650693
Energy: 1.1590217292965417
Energy: 0.8822796879895517
Energy: 0.8814359279942076
Energy: 0.8822796879895517
Energy: 1.1506374498897909
Energy: 0.8813827026099519
Energy: 0.8802040779473678
Energy: 0.8813827026106696
Energy: 1.1480389093470287
Energy: 0.8819767941323443
Energy: 0.8801120516934835
Energy: 0.8819767941323443
Energy: 1.078205971791728
Energy: 1.0700188307608125
Energy: 1.0813660279486765
Energy: 1.0700188307593765
Energy: 1.0699097817369263
Energy: 0.984361824196747
Energy: 1.077593277338414
Energy: 0.984361824196747
Energy: 0.9426836597044942
Energy: 0.9907601828910597
Energy: 0.9324145559175951
Energy: 0.9907601828874706
Energy: 1.0704075627587646
Energy: 0.9635175513381664
Energy: 0.8824934119142596
Energy: 0.963517551336013
Energy: 1.0163687950550706
Energy: 0.9252160738315723
Energy: 0.9323207186197652
Energy: 0.9252160738315723
Energy: 1.1474462610785652
Energy: 0.9394149219123588
Energy: 0.9401935624303274
Energy: 0.9394149219137944
Energy: 0.9485785026449494
Energy: 0.9240126402203459
Energy: 1.0787862634268355
Energy: 0.9240126402210637
Energy: 0.9349514357618036
Energy: 0.9330832599316154
Energy: 1.065915539269572
Energy: 0.9330832599323332
Energy: 0.9348701109076947
Energy: 0.9266168255194147
Energy: 1.070504789326194
Energy: 0.9266168255186968
Energy: 0.9400272709378015
Energy: 0.9907823019635386
Energy: 0.9878439654993683
Energy: 0.9907823019635386
Energy: 0.9341504141873099
Energy: 0.8835303803833343
Energy: 0.9906018298420431
Energy: 0.8835303803826164
Energy: 1.1469073819636335
Energy: 1.0693146866417143
Energy: 1.0704750516768087
Energy: 1.0693146866409966

minimum gb energy = 0.8801120516934835 eV
minimum distance =  2.28390921450666 Angstroms
sigma value = 73


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

Energy: 1.1467402097987622
Energy: 1.0015140013633326
Energy: 1.0572620975758782
Energy: 0.8874562393859006
Energy: 0.8889009469809639
Energy: 0.8898058284573248
Energy: 1.00797461616858
Energy: 0.8898058284334347
Energy: 0.884674957149564
Energy: 0.888187601828584
Energy: 0.9959235566847063
Energy: 0.888187601828584
Energy: 0.8846536532440838
Energy: 0.8887757668624895
Energy: 1.124002721616091
Energy: 0.8887757668613507
Energy: 0.8841771367811917
Energy: 0.8886030708316576
Energy: 1.116169835164267
Energy: 0.8886030708316576
Energy: 0.8877946770480137
Energy: 0.8885462632075489
Energy: 1.116010230003083
Energy: 0.8885462632075489
Energy: 0.9983033009905895
Energy: 1.002199126495828
Energy: 1.0061498433020302
Energy: 1.002199126519718
Energy: 1.0005735098730026
Energy: 0.9561316642979613
Energy: 1.0011214816233698
Energy: 0.9561316642991001
Energy: 0.9996797275882423
Energy: 0.9567017457142603
Energy: 1.0021767428215942
Energy: 0.9567017457142603
Energy: 0.888692660688645
Energy: 0.9577026564883065
Energy: 0.9995496690997848
Energy: 0.9577026564883065
Energy: 0.9988765525342312
Energy: 0.9553807521573497
Energy: 1.0073108146499936
Energy: 0.9553807521562109
Energy: 1.0067368960274292
Energy: 1.002798765095217
Energy: 1.1118730303907813
Energy: 1.002798765096356
Energy: 0.9977905528904167
Energy: 0.8895658041024738
Energy: 0.8887320354005448
Energy: 0.8895658041013349
Energy: 0.997309067718129
Energy: 0.8883948532829551
Energy: 0.8843957748061143
Energy: 0.8883948532818162
Energy: 1.1234965365325538
Energy: 0.8886520291191738
Energy: 0.8847490802843496
Energy: 0.8886520291191738
Energy: 1.116337213016974
Energy: 0.8884119465627767
Energy: 0.8844874832836198
Energy: 0.8884119465627767
Energy: 1.1141349961379166
Energy: 0.8908261239754465
Energy: 0.8891565865976296
Energy: 0.8908261239754465
Energy: 1.0092250882814233
Energy: 1.0098737518357346
Energy: 0.998594184971229
Energy: 1.0098737518357346
Energy: 0.9983069831611093
Energy: 0.9546996202451413
Energy: 1.0028217247369982
Energy: 0.9546996202451413
Energy: 0.9984928491837203
Energy: 0.9580102904533311
Energy: 1.0029164620066557
Energy: 0.9580102904533311
Energy: 0.9983201834113593
Energy: 0.9603391676943213
Energy: 0.8859612577204092
Energy: 0.9603391676931824
Energy: 1.1113975556689546
Energy: 1.0011142668311501
Energy: 0.9985682408016642
Energy: 1.0011142668300113

minimum gb energy = 0.8841771367811917 eV
minimum distance =  2.28944633526806 Angstroms
sigma value = 7


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

Energy: 1.6910244624270399
Energy: 1.0124045565478232
Energy: 1.0839137138496049
Energy: 0.9621806756651141
Energy: 0.9105708376270583
Energy: 0.9169715631164738
Energy: 1.1225318334797674
Energy: 0.9169715631205002
Energy: 0.9078738816706845
Energy: 0.9104498247557682
Energy: 1.0549928780896698
Energy: 0.9104498247573788
Energy: 0.9078664833063199
Energy: 0.91059165005023
Energy: 1.1223906867161773
Energy: 0.9105916500470089
Energy: 0.9086265215686723
Energy: 0.9100483060565586
Energy: 1.107214684763195
Energy: 0.9100483060581692
Energy: 0.9672874687274993
Energy: 0.9120836354344385
Energy: 1.104660001789799
Energy: 0.9120836354320225
Energy: 1.128547501815663
Energy: 0.9120276640560002
Energy: 0.9169340158833847
Energy: 0.9120276640543898
Energy: 1.1338930303520565
Energy: 0.9143498023195603
Energy: 0.9121444016566683
Energy: 0.9143498023171444
Energy: 1.1022480307117501
Energy: 0.9169847732813657
Energy: 0.9148533398534511
Energy: 0.9169847732829762
Energy: 1.0424994293129624
Energy: 0.9137091674087485
Energy: 0.910949213325366
Energy: 0.913709167410359
Energy: 1.1169906032390675
Energy: 0.9399203905347312
Energy: 0.9495159694408095
Energy: 0.9399203905290942
Energy: 1.0369235019573855
Energy: 1.0395449128814642
Energy: 1.0689064889685824
Energy: 1.039544912878243
Energy: 1.0357577559127944
Energy: 0.9445076826692411
Energy: 0.9670796044516055
Energy: 0.9445076826732676
Energy: 1.0395829855411713
Energy: 0.9580633491145123
Energy: 0.9597222268272081
Energy: 0.9580633491153175
Energy: 1.0460635997578178
Energy: 0.9578171164942539
Energy: 0.9571885114096583
Energy: 0.9578171164926433
Energy: 1.141183182328434
Energy: 0.9154825036347581
Energy: 0.9671488050766974
Energy: 0.9154825036355634
Energy: 1.1455617560838731
Energy: 0.9184118291246468
Energy: 1.0850238269956132
Energy: 0.9184118291286733
Energy: 0.938372410123914
Energy: 0.9807040957398862
Energy: 1.0565709534281125
Energy: 0.9807040957398862
Energy: 0.9449470573712049
Energy: 0.8948633828941106
Energy: 1.0833736768579254
Energy: 0.8948633828908894
Energy: 0.9417400886437163
Energy: 0.9416949058023107
Energy: 1.079076832370085
Energy: 0.9416949058039212
Energy: 0.9959542055957175
Energy: 0.9385307156870331
Energy: 1.1121247466385495
Energy: 0.9385307156958913
Energy: 1.128522740476917
Energy: 0.915784363134334
Energy: 1.0892434161001288
Energy: 0.9157843631351393
Energy: 1.1284142782055568
Energy: 0.9140612646606593
Energy: 0.9122672922567144
Energy: 0.9140612646630751
Energy: 1.1049662150871025
Energy: 0.9129689856832552
Energy: 0.9104819431633175
Energy: 0.912968985688087
Energy: 1.0421176207820777
Energy: 0.9135515689097933
Energy: 0.9110896148555951
Energy: 0.9135515689130145
Energy: 1.1008754357112078
Energy: 0.916758148548004
Energy: 0.9139977331687194
Energy: 0.9167581485528358
Energy: 1.0838297889423485
Energy: 1.0105095820832048
Energy: 1.4513511492582232
Energy: 1.0105095820815944
Energy: 1.0066450350595797
Energy: 0.9722569029271575
Energy: 1.0125803324289646
Energy: 0.9722569029327944
Energy: 1.0150461930044279
Energy: 0.9715470502662782
Energy: 1.0060606431660248
Energy: 0.9715470502662782
Energy: 1.0114547889733685
Energy: 0.9781394450277305
Energy: 0.9597378355956339
Energy: 0.9781394450317571
Energy: 1.0737807586151773
Energy: 1.0110444995889372
Energy: 1.0083119826745386
Energy: 1.0110444995881318

minimum gb energy = 0.8948633828908894 eV
minimum distance =  2.28682082257642 Angstroms
sigma value = 29


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

Energy: 0.862886513885692
Energy: 0.936865134540197
Energy: 0.8856882865140541
Energy: 0.8662205544453637
Energy: 0.8831631461814872
Energy: 0.951959798669859
Energy: 0.8801802290468772
Energy: 0.9519597986690175
Energy: 0.8765590839417401
Energy: 0.9337165767688352
Energy: 0.8651821323806165
Energy: 0.9337165767688352
Energy: 0.8705417929469067
Energy: 0.8790917085415124
Energy: 0.8786552240997938
Energy: 0.8790917085426033
Energy: 0.8764340723699636
Energy: 0.882490885951926
Energy: 0.8688653833892039
Energy: 0.8824908859497131
Energy: 0.8780407842663996
Energy: 0.9431687374217741
Energy: 0.8703174778055498
Energy: 0.9431687374209325
Energy: 0.8653704336864482
Energy: 0.9317237090547957
Energy: 0.8763681943096759
Energy: 0.9317237090545153
Energy: 0.8796097905820305
Energy: 0.883956597013911
Energy: 0.8756609454130456
Energy: 0.8839565970169342
Energy: 0.8722124454059873
Energy: 0.8797488229348235
Energy: 0.8789542060210656
Energy: 0.8797488229353846

minimum gb energy = 0.862886513885692 eV
minimum distance =  2.3128896220807 Angstroms
sigma value = 5


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

Energy: 1.2437108734057267
Energy: 0.8546054431372306
Energy: 1.0220994580298153
Energy: 0.8237151677407473
Energy: 0.9903712241068401
Energy: 0.8527694809394861
Energy: 1.0017727607569809
Energy: 0.8527694809410075
Energy: 1.0012618773678372
Energy: 0.9244082452560719
Energy: 1.0047075177098037
Energy: 0.9244082452545503
Energy: 0.8740586721797085
Energy: 0.850322124043246
Energy: 0.9913627212226379
Energy: 0.8503221240424853
Energy: 0.9887839222898154
Energy: 0.8489699171309866
Energy: 0.997820450251376
Energy: 0.8489699171287045
Energy: 0.8492767555416507
Energy: 0.8497821721284934
Energy: 0.9979567054146704
Energy: 0.8497821721277329
Energy: 0.8489878374699394
Energy: 0.8490958363801671
Energy: 0.9921324009972322
Energy: 0.8490958363809278
Energy: 0.8573964730432323
Energy: 0.8533489003474091
Energy: 1.1034162575962192
Energy: 0.8533489003474091
Energy: 0.8773324049669518
Energy: 0.8761537409529504
Energy: 1.113095838589068
Energy: 0.876153740954472
Energy: 1.0561191381761983
Energy: 0.8271416495088761
Energy: 0.8329869440299155
Energy: 0.827141649509637
Energy: 0.8762454058225169
Energy: 0.8258382681232153
Energy: 0.8276156905364759
Energy: 0.8258382681239761
Energy: 1.1133987918227715
Energy: 0.8246922939009539
Energy: 0.8245973896669849
Energy: 0.8246922939024752
Energy: 1.100537984229553
Energy: 0.8254529503644528
Energy: 0.8246736387630619
Energy: 0.8254529503644528
Energy: 0.8759013791119045
Energy: 0.8734517550346166
Energy: 1.0009595800175024
Energy: 0.8734517550323344
Energy: 0.8517327716662003
Energy: 0.8496162387506553
Energy: 0.9989047248853219
Energy: 0.8496162387498944
Energy: 0.8526142081789068
Energy: 0.8515868902176023
Energy: 0.9895503119195489
Energy: 0.8515868902160809
Energy: 0.8499488343638254
Energy: 0.8496725773980052
Energy: 0.8719790824775174
Energy: 0.8496725773987658
Energy: 1.0093689269841764
Energy: 0.8539538045414321
Energy: 0.8732988525026426
Energy: 0.8539538045421927
Energy: 1.0062879244695762
Energy: 0.926062822351267
Energy: 1.0021170298566924
Energy: 0.926062822351267
Energy: 0.9924537104051576
Energy: 0.9293243945183466
Energy: 0.8716718209641718
Energy: 0.9293243945191072
Energy: 0.9978571930570574
Energy: 0.8524193042513575
Energy: 0.9908102835586908
Energy: 0.852419304253605
Energy: 0.998200818400751
Energy: 0.8490731176091997
Energy: 0.8496127774812263
Energy: 0.8490731176091997
Energy: 0.991259192644049
Energy: 0.8496417116942503
Energy: 0.8502745274203246
Energy: 0.849641711695011
Energy: 1.102880315343589
Energy: 0.8515434030605489
Energy: 0.8538484717665915
Energy: 0.8515434030620701
Energy: 1.1152441871078793
Energy: 0.8735431648217065
Energy: 0.8763509903586033
Energy: 0.8735431648209457
Energy: 0.8252457993449407
Energy: 0.8282977511133874
Energy: 1.0562652966245996
Energy: 0.8282977511126267
Energy: 0.8310238555556314
Energy: 0.8270974596559898
Energy: 0.8778365244308913
Energy: 0.8270974596559898
Energy: 0.8253542800831136
Energy: 0.8275343989746274
Energy: 0.9067537341044365
Energy: 0.8275343989731059
Energy: 0.8240024357420697
Energy: 0.8265796464810169
Energy: 1.1001607008106427
Energy: 0.8265796464802562
Energy: 0.9999695690236488
Energy: 0.8730059823072153
Energy: 0.8750791749667968
Energy: 0.8730059823087367
Energy: 1.0002085048846685
Energy: 0.8502125508575163
Energy: 0.8505858895313517
Energy: 0.8502125508567557
Energy: 0.9899690793843493
Energy: 0.8506902108481036
Energy: 0.8498474803935014
Energy: 0.8506902108488642
Energy: 0.873342765470764
Energy: 0.8494091425909686
Energy: 0.8495116298369921
Energy: 0.8494091425909686

minimum gb energy = 0.8237151677407473 eV
minimum distance =  2.28331842935035 Angstroms
sigma value = 1


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

Energy: 1.343787427224064
Energy: 0.8054601265134369
Energy: 0.9859302220531144
Energy: 0.7746744717452668
Energy: 0.8072883016369444
Energy: 0.8071266899338738
Energy: 1.0128898639561006
Energy: 0.8071266899359774
Energy: 1.0136759251535417
Energy: 0.900520891372186
Energy: 1.015921750747247
Energy: 0.9005208913732139
Energy: 0.831015314157887
Energy: 0.9014045342835822
Energy: 1.0008036202289394
Energy: 0.9014045342867376
Energy: 0.8044989325271227
Energy: 0.8035315089320749
Energy: 1.0201208589346427
Energy: 0.8035315089310231
Energy: 0.8027592222128511
Energy: 0.8043115774305892
Energy: 0.996329641690043
Energy: 0.8043115774305892
Energy: 0.8010936332497579
Energy: 0.8027888086598194
Energy: 1.001883395557753
Energy: 0.8027888086577158
Energy: 0.8110124235298996
Energy: 0.8098287091051113
Energy: 1.165532139931129
Energy: 0.8098287091103702
Energy: 1.00162117984778
Energy: 0.8455007925062809
Energy: 1.1651332662994587
Energy: 0.8455007925062809
Energy: 1.009135334810679
Energy: 0.8105334493481504
Energy: 0.8084605126154583
Energy: 0.8105334493229074
Energy: 1.0028302672585143
Energy: 0.803158098579001
Energy: 0.8013960543045209
Energy: 0.8031580985779492
Energy: 1.1614359437307706
Energy: 0.8141415307466483
Energy: 0.8036934190524758
Energy: 0.814141530748752
Energy: 1.1613101835254824
Energy: 0.8037473916886437
Energy: 0.8035900444566831
Energy: 0.8037473916896956
Energy: 1.000059902126042
Energy: 0.9014535282162661
Energy: 1.0146806327388207
Energy: 0.9014535282152143
Energy: 0.8321780859935418
Energy: 0.8993767832834587
Energy: 1.01368422470602
Energy: 0.8993767832834587
Energy: 0.8311585847884463
Energy: 0.8058152131996469
Energy: 1.0028880069787307
Energy: 0.8058152132028022
Energy: 0.8032303229097026
Energy: 0.8045175106976388
Energy: 1.0102943648791431
Energy: 0.8045175106997425
Energy: 0.8212204148530036
Energy: 0.8092330591359485
Energy: 0.9999102861671622
Energy: 0.8092330591370003
Energy: 0.8012331050432373
Energy: 0.8033651283595938
Energy: 1.1653360231657899
Energy: 0.8033651283574901
Energy: 0.8049904559740422
Energy: 0.8163459408079928
Energy: 1.1661229242305355
Energy: 0.816345940806941
Energy: 1.0099631119342873
Energy: 0.8419760307779064
Energy: 1.002775188631123
Energy: 0.84197603078001
Energy: 1.0111602775415092
Energy: 0.8057347075305803
Energy: 0.80807026341009
Energy: 0.8057347075274489
Energy: 1.0019185002711057
Energy: 0.8033284171592072
Energy: 0.8031447678084884
Energy: 0.8033284171581554
Energy: 1.1618092218771556
Energy: 0.8039784809185987
Energy: 0.8025635573281791
Energy: 0.803978480946973

minimum gb energy = 0.7746744717452668 eV
minimum distance =  2.2892761800577 Angstroms
sigma value = 17


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

Energy: 1.4516794449526922
Energy: 0.8020417917195048
Energy: 0.9878465905433772
Energy: 0.7782345017624733
Energy: 0.8071894384626966
Energy: 0.7989973449233574
Energy: 0.9294505455865781
Energy: 0.7989973449233574
Energy: 1.0332890566161335
Energy: 0.795741061287346
Energy: 0.956701093989064
Energy: 0.7957410612853958
Energy: 1.0406368724745325
Energy: 0.8427727720147442
Energy: 0.9202611398768084
Energy: 0.8427727720153944
Energy: 0.9031683190424494
Energy: 0.7772775367778664
Energy: 1.0479761676347474
Energy: 0.7772775367765661
Energy: 0.7782302582416583
Energy: 0.7771701581301206
Energy: 1.036029225984935
Energy: 0.7771701581301206
Energy: 0.7779511641570169
Energy: 0.7767567420533668
Energy: 0.8144670952937125
Energy: 0.7767567420540167
Energy: 0.7853617936005017
Energy: 0.779012274095794
Energy: 0.912622957722686
Energy: 0.7790122740931936
Energy: 1.0455542845622774
Energy: 0.7799081520587945
Energy: 1.0320968000761725
Energy: 0.7799081520561942
Energy: 0.965422135867616
Energy: 0.8458383124204721
Energy: 0.9423814958722324
Energy: 0.8458383124204721
Energy: 1.041676534849207
Energy: 0.7953390154241562
Energy: 0.8108418944551514
Energy: 0.7953390154280567
Energy: 1.0455250791326403
Energy: 0.8109395815878665
Energy: 0.9230048734213795
Energy: 0.8109395815898167
Energy: 1.0345580017011147
Energy: 0.795078271943491
Energy: 0.7955126595850645
Energy: 0.795078271943491
Energy: 0.9313095907295317
Energy: 0.7951891219405866
Energy: 0.7972053220790344
Energy: 0.7951891219412367
Energy: 1.090223030678806
Energy: 0.7977615698303963
Energy: 0.8047801032216259
Energy: 0.7977615698284459
Energy: 1.0451191433551827
Energy: 0.7956542765473199
Energy: 0.7989852060792416
Energy: 0.7956542765525206
Energy: 0.7956481039744341
Energy: 0.9029424643701207
Energy: 0.9958344086391411
Energy: 0.9029424643694707
Energy: 0.7950842294190249
Energy: 0.7949687128827956
Energy: 1.0457099880396057
Energy: 0.7949687128853958
Energy: 0.8100253072230479
Energy: 0.8013962772964217
Energy: 0.9237184477598981
Energy: 0.8013962772964217
Energy: 0.7971297458778311
Energy: 0.7950576238418013
Energy: 0.9153300911971043
Energy: 0.7950576238457019
Energy: 0.9472207781717341
Energy: 0.7975533167948933
Energy: 0.7963899424135114
Energy: 0.7975533167948933
Energy: 0.9560416550421238
Energy: 0.8014257292136977
Energy: 1.0845318016263958
Energy: 0.8014257292078469
Energy: 0.9205268069938072
Energy: 0.8406825614235435
Energy: 1.0921372270727476
Energy: 0.8406825614228933
Energy: 1.0495019436445516
Energy: 0.7783556299318132
Energy: 0.9024488800824746
Energy: 0.7783556299324633
Energy: 1.0449439521952013
Energy: 0.7769984305316074
Energy: 0.7772992205121726
Energy: 0.7769984305329076
Energy: 0.9221780052520875
Energy: 0.7776970454299904
Energy: 0.780555948812674
Energy: 0.7776970454325908
Energy: 0.91312839689264
Energy: 0.7803358286916402
Energy: 0.7862552206630087
Energy: 0.7803358286929403
Energy: 0.923312894186259
Energy: 0.7797742901554648
Energy: 1.049516462799784
Energy: 0.7797742901548148
Energy: 0.9294264863824226
Energy: 0.8446052190895864
Energy: 0.9565584925822711
Energy: 0.8446052190869862
Energy: 0.8120007871642223
Energy: 0.7953224014953114
Energy: 1.0397505915525829
Energy: 0.7953224014940112
Energy: 0.9211065474480429
Energy: 0.7956580700641736
Energy: 1.0352288691525642
Energy: 0.7956580700667739
Energy: 0.7949829530508147
Energy: 0.7952607041747263
Energy: 1.0351429088869843
Energy: 0.795260704173426
Energy: 0.7949714782058758
Energy: 0.7944697613867108
Energy: 0.9324979717979437
Energy: 0.7944697613860607
Energy: 0.8032155599799436
Energy: 0.799615511587453
Energy: 1.0897433611842573
Energy: 0.7996155115868029
Energy: 0.9369111888770917
Energy: 0.8197698785609038
Energy: 1.044970088119128
Energy: 0.8197698785609038
Energy: 1.2875179965395156
Energy: 0.8066078606192696
Energy: 0.7964779811806955
Energy: 0.8066078606192696
Energy: 1.0427031509292173
Energy: 0.7949154780646577
Energy: 0.795536714480434
Energy: 0.7949154780646577
Energy: 1.032532195576222
Energy: 0.8015086842748752
Energy: 0.796767977696381
Energy: 0.8015086842755254

minimum gb energy = 0.7767567420533668 eV
minimum distance =  2.28970548491886 Angstroms
sigma value = 89


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

Energy: 1.5605595790675246
Energy: 0.7277457470023382
Energy: 0.7270769461097574
Energy: 0.7510772831679572
Energy: 0.7270980237597667
Energy: 0.8006020297568831
Energy: 0.7271774445369866
Energy: 0.800602029755182
Energy: 0.7201788314884295
Energy: 0.8005249021923698
Energy: 0.7438454757941013
Energy: 0.8005249021923698
Energy: 0.7208700224598183
Energy: 0.8009706313555748
Energy: 0.7246458179204771
Energy: 0.8009706313538737
Energy: 0.723925248393232
Energy: 0.7254071208542513
Energy: 0.7387541671883857
Energy: 0.7254071208542513
Energy: 0.7245336099239971
Energy: 0.7244410775799318
Energy: 0.7379360249744987
Energy: 0.7244410775782308
Energy: 0.7238558339493316
Energy: 0.7233805172692475
Energy: 0.7260357895043729
Energy: 0.7233805172692475
Energy: 0.7263545737634993
Energy: 0.7284433522010205
Energy: 0.7185077075078448
Energy: 0.7284433522010205
Energy: 0.7286727282542652
Energy: 0.7271360211982835
Energy: 0.7188024047531911
Energy: 0.7271360211982835
Energy: 0.7424277374172537
Energy: 0.8019722870834223
Energy: 0.7276307426989989
Energy: 0.8019722870834223
Energy: 0.7259684459603036
Energy: 0.8028709883557532
Energy: 0.7179890913535194
Energy: 0.8028709883557532
Energy: 0.7373189525557976
Energy: 0.7242003154770423
Energy: 0.7266636556667025
Energy: 0.7242003154770423
Energy: 0.7400382784499985
Energy: 0.7265264514293711
Energy: 0.7276832554123932
Energy: 0.7265264514293711
Energy: 0.7256706236416676
Energy: 0.7228992164184947
Energy: 0.722471966103454
Energy: 0.7228992164082889
Energy: 0.7186341777163332
Energy: 0.7256305623813117
Energy: 0.7262748586100276
Energy: 0.7256305623830127

minimum gb energy = 0.7179890913535194 eV
minimum distance =  2.31003502598555 Angstroms
sigma value = 13


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

Energy: 1.364753191110077
Energy: 0.6885555551682514
Energy: 0.9054114922125882
Energy: 0.6822233893617663
Energy: 0.8234385104070479
Energy: 0.6868654864719504
Energy: 0.83570342906601
Energy: 0.686865486476941
Energy: 0.6904470404586437
Energy: 0.6851182976324905
Energy: 0.8477938349751979
Energy: 0.6851182976381941
Energy: 1.0001779398318857
Energy: 0.6888915018727539
Energy: 0.8262033448104172
Energy: 0.688891501872041
Energy: 0.8311981020005269
Energy: 0.6873203612258558
Energy: 0.8269297297300691
Energy: 0.6873203612301334
Energy: 0.8290490895612688
Energy: 0.6864022783954724
Energy: 0.8240807627400851
Energy: 0.6864022783976111
Energy: 0.8282448901858045
Energy: 0.6857385991609517
Energy: 0.8243811578050375
Energy: 0.6857385991545352
Energy: 0.8290308599055914
Energy: 0.6847630654634642
Energy: 0.8450674655600876
Energy: 0.6847630654598995
Energy: 0.6839801561122549
Energy: 0.6884948001448281
Energy: 0.8305874745367396
Energy: 0.6884948001448281
Energy: 0.6842589187250983
Energy: 0.6855542986316483
Energy: 0.8289908255435723
Energy: 0.6855542986245189
Energy: 0.6868087560798282
Energy: 0.6849356956299494
Energy: 1.364983880316446
Energy: 0.6849356956292363
Energy: 0.8247280721523764
Energy: 0.6848000168725308
Energy: 0.8294311295395091
Energy: 0.6848000168746048
Energy: 0.8296961492734263
Energy: 0.7268914386116007
Energy: 0.8240364949350326
Energy: 0.7268914386158781
Energy: 0.8265419880448288
Energy: 0.7289193189233941
Energy: 1.0002379703253323
Energy: 0.7289193189177554
Energy: 0.8353289968568464
Energy: 0.6881303076457769
Energy: 0.8274713426568718
Energy: 0.6881303076464897
Energy: 0.8330310815052333
Energy: 0.6869890522126869
Energy: 0.6917649897780129
Energy: 0.6869890522133998
Energy: 0.824198496448296
Energy: 0.6855880545020057
Energy: 0.6889769185363405
Energy: 0.6855880544998668
Energy: 0.6951762327515528
Energy: 0.6851459154532326
Energy: 0.6874588368994744
Energy: 0.6851459154553714
Energy: 0.9527678777703249
Energy: 0.6884111811585794
Energy: 0.8236976197730513
Energy: 0.6884111811578665
Energy: 0.8282036963477734
Energy: 0.6843609240125884
Energy: 0.8511649065205618
Energy: 0.6843609240197177
Energy: 1.0131255944021649
Energy: 0.6858922899424336
Energy: 0.8235813674913866
Energy: 0.6858922899438594
Energy: 0.8277784082008786
Energy: 0.7397379288173398
Energy: 0.8240743293837777
Energy: 0.739737928815914
Energy: 0.8309871397358096
Energy: 0.6883016284435666
Energy: 0.8281949967445907
Energy: 0.6883016284506961
Energy: 0.6908223069165588
Energy: 0.6843223619535871
Energy: 0.8268894973168156
Energy: 0.6843223619514482
Energy: 0.8253845064520248
Energy: 0.6859562228570902
Energy: 0.8348048524642181
Energy: 0.6859562228535255
Energy: 0.6866026162577615
Energy: 0.684552077366941
Energy: 0.8334014956882042
Energy: 0.6845520773655152
Energy: 0.6846879369206874
Energy: 0.6842930632577068
Energy: 0.8264532337338978
Energy: 0.6842930632584199
Energy: 0.6852145686863012
Energy: 0.6881885603391714
Energy: 0.6957447291993472
Energy: 0.688188560343449
Energy: 0.8230009375566069
Energy: 0.6844827347164003
Energy: 0.9541485582820503
Energy: 0.6844827347185393
Energy: 0.8514488350490764
Energy: 0.7296434642512903
Energy: 0.8231689872808482
Energy: 0.7296434642512903
Energy: 0.9661304349995599
Energy: 0.7261566889009551
Energy: 1.0143615053666555
Energy: 0.7261566889002423
Energy: 0.8334791303148211
Energy: 0.6860591593002279
Energy: 0.8232291470945783
Energy: 0.6860591592980891
Energy: 0.8358893390447257
Energy: 0.6866929974179972
Energy: 0.6929162868960611
Energy: 0.6866929974122936
Energy: 0.9667229268917862
Energy: 0.6843452387186991
Energy: 0.685003973654484
Energy: 0.6843452387165603
Energy: 0.9522975598171097
Energy: 0.6859190118714994
Energy: 0.689876789807349
Energy: 0.6859190118643701

minimum gb energy = 0.6822233893617663 eV
minimum distance =  2.30094443020498 Angstroms
sigma value = 37


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

Energy: 1.179251895730038
Energy: 0.6261521130139825
Energy: 0.6250311392158114
Energy: 0.6252845402201077
Energy: 0.8601754362169649
Energy: 0.6243714088382776
Energy: 0.8568790063240703
Energy: 0.6243714088382776
Energy: 1.0873895169030148
Energy: 0.702467783032756
Energy: 0.8636686862485088
Energy: 0.702467783032756
Energy: 1.0863564255371492
Energy: 0.6252090230045051
Energy: 0.8608862029513201
Energy: 0.6252090230057317
Energy: 0.6337520086943274
Energy: 0.7046461082885938
Energy: 0.8595466115956254
Energy: 0.7046461082873672
Energy: 0.7589384387050758
Energy: 0.6250248717960794
Energy: 0.8572863599887434
Energy: 0.6250248717899465
Energy: 0.6245930445776873
Energy: 0.6231772789786469
Energy: 0.860149563803195
Energy: 0.6231772789798735
Energy: 0.6322683270397975
Energy: 0.6237955000518778
Energy: 0.8536541287839092
Energy: 0.6237955000518778
Energy: 0.6243584512149231
Energy: 0.6273459211497364
Energy: 0.8530011302364794
Energy: 0.6273459211485098
Energy: 0.6227387818511116
Energy: 0.624444850179535
Energy: 0.7564977670197683
Energy: 0.6244448501807616
Energy: 0.625031139179014
Energy: 0.6252845402201077
Energy: 1.179251895730038
Energy: 0.6261521126927568
Energy: 0.8568790063216172
Energy: 0.6243714088382776
Energy: 0.7563236843418382
Energy: 0.6243714088382776
Energy: 0.8636686862485088
Energy: 0.7024677830315295
Energy: 1.087389516905468
Energy: 0.7024677830315295
Energy: 0.8608862029525467
Energy: 0.6252090230032785
Energy: 1.0863564255371492
Energy: 0.6252090230032785
Energy: 0.8595466115956254
Energy: 0.7046461082861406
Energy: 0.6337520086931008
Energy: 0.7046461082873672
Energy: 0.7543504041578803
Energy: 0.6250248717887199
Energy: 0.8636193001069172
Energy: 0.6250248717960794
Energy: 0.8601495638203391
Energy: 0.6231772789786469
Energy: 0.6245930445789138
Energy: 0.6231772789786469
Energy: 0.8536541287851358
Energy: 0.6237955000506512
Energy: 0.6322683270397975
Energy: 0.6237955000506512
Energy: 0.8530011303799341
Energy: 0.6273459211497364
Energy: 0.6243584512161496
Energy: 0.627345921150963
Energy: 0.8614726539866622
Energy: 0.624444850179535
Energy: 0.6227387818511116
Energy: 0.624444850179535

minimum gb energy = 0.6227387818511116 eV
minimum distance =  2.31517893940914 Angstroms
sigma value = 25


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

Energy: 1.4322944660054384
Energy: 0.5588884864152318
Energy: 0.7988133426664432
Energy: 0.5627551774126589
Energy: 0.951269408797476
Energy: 0.5566952303955784
Energy: 0.7486429261950754
Energy: 0.5566952303965362
Energy: 1.2678419637830343
Energy: 0.5555691827193472
Energy: 0.7516621413969258
Energy: 0.5555691827183893
Energy: 0.973176732207905
Energy: 0.5619239766902873
Energy: 0.7480157377500986
Energy: 0.561923976692203
Energy: 0.9479383882928046
Energy: 0.6212353529588419
Energy: 0.950144676778278
Energy: 0.6212353529588419
Energy: 0.9407377605771573
Energy: 0.6182586368498737
Energy: 1.10685264390317
Energy: 0.6182586368498737
Energy: 0.9439486672493914
Energy: 0.6209573088986733
Energy: 0.9486455156737131
Energy: 0.620957308899631
Energy: 0.7477283280115063
Energy: 0.5613620278497014
Energy: 1.1017228945688333
Energy: 0.5613620278497014
Energy: 0.7515466522986745
Energy: 0.5557754181246884
Energy: 1.1047201421218893
Energy: 0.5557754181237307
Energy: 0.7525037898500243
Energy: 0.5564456774842584
Energy: 1.1052499317194842
Energy: 0.5564456774833006
Energy: 0.5565737483672148
Energy: 0.5606646866316811
Energy: 1.203146449777042
Energy: 0.5606646866316811
Energy: 0.5592915555932347
Energy: 0.5562841785609743
Energy: 0.9513109370065005
Energy: 0.5562841785600167
Energy: 0.5574867034337506
Energy: 0.5553523754132873
Energy: 0.9395824096931226
Energy: 0.5553523754132873
Energy: 0.5688367866730005
Energy: 0.5628662917695677
Energy: 0.9381191007181645
Energy: 0.5628662917695677
Energy: 0.7519441513449909
Energy: 0.555339148508241
Energy: 0.948841842992437
Energy: 0.5553391485091987
Energy: 0.7524482356513338
Energy: 0.5568454448822934
Energy: 0.9433498143939409
Energy: 0.5568454448832076
Energy: 0.9482452176872334
Energy: 0.5582843260718412
Energy: 0.9408377484484496
Energy: 0.5582843260727991
Energy: 0.7642807998466569
Energy: 0.6223734778174448
Energy: 0.9480510760593929
Energy: 0.6223734778184026
Energy: 1.1039785203205066
Energy: 0.6189867348236201
Energy: 0.9434571496854814
Energy: 0.6189867348217479
Energy: 0.9495236991689063
Energy: 0.6187498004526362
Energy: 0.941190889526705
Energy: 0.6187498004535941
Energy: 1.2042410192759987
Energy: 0.5596789534625964
Energy: 0.7540255956921337
Energy: 0.5596789534625964
Energy: 0.9500459712549927
Energy: 0.5547342294987561
Energy: 0.5561628858166014
Energy: 0.5547342294987561
Energy: 1.1014324787531466
Energy: 0.5585593253510724
Energy: 0.747771048260224
Energy: 0.5585593253510724
Energy: 1.1002103797951996
Energy: 0.5575728943982825
Energy: 0.5627085071587439
Energy: 0.5575728943982825
Energy: 0.9491816626189736
Energy: 0.5550759787027637
Energy: 0.5556617865574723
Energy: 0.5550759787018059
Energy: 1.2605980753865502
Energy: 0.5571007075097562
Energy: 0.560947762380771
Energy: 0.557100707510714

minimum gb energy = 0.5547342294987561 eV
minimum distance =  2.31449465887101 Angstroms
sigma value = 41


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

Energy: 1.5924407857653893
Energy: 0.5074688911154888
Energy: 0.7574469010446823
Energy: 0.5156959418943351
Energy: 1.1218360405242083
Energy: 0.5068378478277374
Energy: 0.6668139085570821
Energy: 0.506837847829308
Energy: 1.1199452900079816
Energy: 0.5051674846276887
Energy: 0.6718374542838972
Energy: 0.5051674846284738
Energy: 1.1224086144306518
Energy: 0.5083942105930497
Energy: 0.8396260594353582
Energy: 0.5083942105875531
Energy: 1.1199390005683127
Energy: 0.5045023064115125
Energy: 0.9762561873477175
Energy: 0.5045023064099421
Energy: 1.1148969172284222
Energy: 0.5064732848852441
Energy: 0.9729974479663143
Energy: 0.5064732848852441
Energy: 1.1193714971213629
Energy: 0.5602401143381471
Energy: 1.1183429152128261
Energy: 0.5602401143389324
Energy: 0.980345204455891
Energy: 0.558751272150303
Energy: 0.9769872971452032
Energy: 0.5587512721518734
Energy: 0.8312103160285694
Energy: 0.5580445682235794
Energy: 1.2524143651914612
Energy: 0.5580445682235794
Energy: 0.8297291648547863
Energy: 0.5048370869968465
Energy: 1.1205400759709596
Energy: 0.5048370869968465
Energy: 0.6765592627628187
Energy: 0.5106675000374835
Energy: 1.3981779529880047
Energy: 0.5106675000359131
Energy: 0.6697635156912296
Energy: 0.5043287876040481
Energy: 1.1196537276786533
Energy: 0.5043287876040481
Energy: 0.6678652311830625
Energy: 0.5077284302300127
Energy: 1.1188190328603598
Energy: 0.5077284302300127
Energy: 0.5140952367675576
Energy: 0.508613730882833
Energy: 1.1182512311743753
Energy: 0.5086137308820476
Energy: 0.507187480849775
Energy: 0.5064939065816939
Energy: 1.1201525374265922
Energy: 0.5064939065816939
Energy: 0.5109511562569795
Energy: 0.5068661189272298
Energy: 1.1170956761892263
Energy: 0.5068661189272298
Energy: 0.6739140409224624
Energy: 0.5094865435925521
Energy: 1.1137995159026743
Energy: 0.5094865435933373
Energy: 0.6746868217803426
Energy: 0.5042324689022265
Energy: 1.1196403375458885
Energy: 0.5042324689014414
Energy: 0.668272826998957
Energy: 0.5086369445682412
Energy: 1.1170978702813221
Energy: 0.5086369445698117
Energy: 0.9727807139174885
Energy: 0.5073128422513149
Energy: 1.115158437068798
Energy: 0.5073128422497444
Energy: 1.0250834685764196
Energy: 0.557207974947048
Energy: 1.1185529235676372
Energy: 0.5572079749446922
Energy: 0.9734294761749573
Energy: 0.5097353450329019
Energy: 1.1206154600449176
Energy: 0.5097353450336871
Energy: 1.2536396135244754
Energy: 0.5568709192476454
Energy: 1.1130123664644094
Energy: 0.5568709192468602
Energy: 0.9781234522657847
Energy: 0.5099909266920952
Energy: 0.9728046287762881
Energy: 0.5099909266905246
Energy: 1.117855116235027
Energy: 0.5586569649693108
Energy: 0.8422990166264345
Energy: 0.5586569649708814
Energy: 1.2533459436550072
Energy: 0.5068888902563693
Energy: 0.9731824409517267
Energy: 0.5068888902563693
Energy: 1.2585122688272385
Energy: 0.5089941310662407
Energy: 0.6691126289842946
Energy: 0.5089941310670258
Energy: 1.1191773130951195
Energy: 0.5044751627631742
Energy: 0.6735463922298867
Energy: 0.5044751627631742
Energy: 1.2561049633199686
Energy: 0.5087921864367746
Energy: 0.6729229729547225
Energy: 0.5087921864367746
Energy: 1.2530356281745991
Energy: 0.5073267586977989
Energy: 0.5078660675000586
Energy: 0.5073267586985842
Energy: 1.120381246600223
Energy: 0.5058858810884483
Energy: 0.5066411186196673
Energy: 0.5058858810892337
Energy: 1.1186559003375909
Energy: 0.5069952842420211
Energy: 0.5142972306874414
Energy: 0.5069952842467327

minimum gb energy = 0.5042324689014414 eV
minimum distance =  2.3190091274486 Angstroms
sigma value = 15


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

Energy: 1.3684192006504678
Energy: 0.4716465317745999
Energy: 0.7243972016300472
Energy: 0.4766835075428823
Energy: 1.2454506987577656
Energy: 0.4689311430345078
Energy: 0.6059062478472572
Energy: 0.46893114303583816
Energy: 1.4755634686666868
Energy: 0.4684925255295894
Energy: 0.6100423932994863
Energy: 0.46849252552759385
Energy: 1.2466710988039262
Energy: 0.4713303148694975
Energy: 0.7587226787860182
Energy: 0.4713303148694975
Energy: 1.2416430031146193
Energy: 0.46581534703964994
Energy: 0.8745678377220458
Energy: 0.4658153470403152
Energy: 1.240605200423839
Energy: 0.4663239931649485
Energy: 0.8701350376556326
Energy: 0.46632399319355244
Energy: 0.9968096466265568
Energy: 0.472961456919942
Energy: 1.1161181026052467
Energy: 0.47296145691927677
Energy: 1.1197520264055176
Energy: 0.5132182951646133
Energy: 0.8755759247777823
Energy: 0.5132182951633432
Energy: 0.9953414782881888
Energy: 0.5107736350268139
Energy: 1.1150181361240075
Energy: 0.5107736350248183
Energy: 0.994590405629859
Energy: 0.6191926928957799
Energy: 1.2441129073895258
Energy: 0.6191926928944496
Energy: 0.8760353402392344
Energy: 0.47066329487579994
Energy: 1.2101561084746792
Energy: 0.47066329487779557
Energy: 0.7518918558969316
Energy: 0.4659702462393551
Energy: 1.354229222502287
Energy: 0.4659702462426812
Energy: 0.8707861511015876
Energy: 0.46646414548907733
Energy: 1.3564821329164314
Energy: 0.46646414548907733
Energy: 0.6137057378121368
Energy: 0.4709551531069907
Energy: 1.1255158152830318
Energy: 0.47095515310765584
Energy: 0.6090697696517067
Energy: 0.4669806388562378
Energy: 1.2409891261308168
Energy: 0.46698063885490737
Energy: 0.6113880258012178
Energy: 0.4704283694479068
Energy: 1.3567435476289935
Energy: 0.4704283694479068
Energy: 0.47422349961323007
Energy: 0.47033484897862865
Energy: 1.3625714648809901
Energy: 0.4703348489772982
Energy: 0.4664347405238826
Energy: 0.46659166742564223
Energy: 1.2401025257855156
Energy: 0.46659166742697267
Energy: 0.4719486990789764
Energy: 0.4697927396880332
Energy: 1.2425945269167116
Energy: 0.46979273968603763
Energy: 0.6123857986518039
Energy: 0.47154335008596643
Energy: 1.243734433845758
Energy: 0.47154335008530124
Energy: 0.6076046734522355
Energy: 0.4673734689835703
Energy: 1.240363007787341
Energy: 0.4673734689795791
Energy: 0.6137907810308547
Energy: 0.4705128712655483
Energy: 1.2468008430399962
Energy: 0.47051287126488306
Energy: 0.8697698721803733
Energy: 0.4669203670284774
Energy: 1.2375178681621752
Energy: 0.4669203670284774
Energy: 0.8776986864685926
Energy: 0.46586221704716024
Energy: 1.2412889583483329
Energy: 0.46586221704782543
Energy: 0.8767853269908815
Energy: 0.4703169123743556
Energy: 1.0489671455116545
Energy: 0.4703169123736904
Energy: 1.1184099834635883
Energy: 0.6213544117436052
Energy: 1.2444617755248546
Energy: 0.6213544117422748
Energy: 0.8722813934747561
Energy: 0.5111474017151938
Energy: 1.1160249531429733
Energy: 0.5111474017118678
Energy: 1.120781457070395
Energy: 0.5138099629072049
Energy: 1.003051855375906
Energy: 0.5138099629072049
Energy: 1.1207061098016424
Energy: 0.46865059210159477
Energy: 1.116597932181145
Energy: 0.46865059210558596
Energy: 1.117008705293433
Energy: 0.4670311791479642
Energy: 0.8707942750597731
Energy: 0.4670311791486294
Energy: 1.240401574148539
Energy: 0.46583710650314253
Energy: 0.7517350333174436
Energy: 0.4658371065044729
Energy: 1.1239301351457185
Energy: 0.4724256014739177
Energy: 0.876709361907675
Energy: 0.47242560147524815
Energy: 1.3570739671645868
Energy: 0.4686214470423538
Energy: 0.6115251835920021
Energy: 0.4686214470410234
Energy: 1.3533736882008949
Energy: 0.4684111493589678
Energy: 0.61011087945241
Energy: 0.46841114936029826
Energy: 1.236379190399292
Energy: 0.4698322583521807
Energy: 0.47547317838029857
Energy: 0.4698322583521807
Energy: 1.2428893834551573
Energy: 0.4700154053749453
Energy: 0.46810316257404794
Energy: 0.47001540537561054
Energy: 1.2500114157597124
Energy: 0.47023928861141906
Energy: 0.469450973980451
Energy: 0.47023928861141906

minimum gb energy = 0.46581534703964994 eV
minimum distance =  2.31213565089048 Angstroms
sigma value = 85


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

Energy: 1.4714894636824576
Energy: 0.4231669369513343
Energy: 0.4220091108655747
Energy: 0.43889603417493905
Energy: 1.317889983364632
Energy: 0.42184033516017644
Energy: 0.5438098012684537
Energy: 0.4218403351595995
Energy: 1.3101649974871326
Energy: 0.42120294702465766
Energy: 0.5475603136477123
Energy: 0.42120294702465766
Energy: 1.0938344445254715
Energy: 0.42385164823424876
Energy: 0.7754629805143519
Energy: 0.42385164823482574
Energy: 1.3163768663067652
Energy: 0.4200287253499363
Energy: 0.7785309301842287
Energy: 0.42002872534878244
Energy: 1.0980468705960706
Energy: 0.4207871138070757
Energy: 0.7752883203860284
Energy: 0.42078711380592176
Energy: 1.095267447889529
Energy: 0.42117091520474775
Energy: 0.9950951123920219
Energy: 0.42117091520417077
Energy: 1.205753430893738
Energy: 0.420991425551663
Energy: 0.775827264684808
Energy: 0.42099142555050917
Energy: 1.097288665487411
Energy: 0.4211237489715602
Energy: 0.9904552565780352
Energy: 0.4211237489542783
Energy: 1.0970372460184967
Energy: 0.4941124874933678
Energy: 1.2039653853175418
Energy: 0.49411248749279085
Energy: 0.991299311060062
Energy: 0.4209863268081791
Energy: 1.0595100429704418
Energy: 0.42098632680933296
Energy: 0.8819196350365336
Energy: 0.4208291088639701
Energy: 1.204078667517212
Energy: 0.42082910886166236
Energy: 0.9905547355779516
Energy: 0.4201796229866154
Energy: 1.2040841769607
Energy: 0.4201796229866154
Energy: 0.7754982855301289
Energy: 0.42200181898960865
Energy: 0.9875080299321057
Energy: 0.4220018189901856
Energy: 0.6638805993014935
Energy: 0.42002189158154907
Energy: 1.3153373653939655
Energy: 0.420021891582126
Energy: 0.7776732536516716
Energy: 0.4221320948467935
Energy: 1.2013038868598345
Energy: 0.4221320948473704
Energy: 0.5447971439931617
Energy: 0.42504565590240706
Energy: 1.2013309867549518
Energy: 0.42504565590240706
Energy: 0.5428224799126438
Energy: 0.41999678795629397
Energy: 1.3149414448838286
Energy: 0.41999678795629397
Energy: 0.5436929329418203
Energy: 0.42043349492821414
Energy: 1.3085631435142409
Energy: 0.42043349492821414
Energy: 0.4230881784805338
Energy: 0.4243118222309076
Energy: 1.3086873022555643
Energy: 0.4243118222309076
Energy: 0.42114228119560737
Energy: 0.4203173780492408
Energy: 1.3159639405628516
Energy: 0.4203173780486638
Energy: 0.42425206492526774
Energy: 0.4216854173169286
Energy: 1.3063528950658805
Energy: 0.4216854173175056
Energy: 0.5469736985301942
Energy: 0.422452451406601
Energy: 1.3093005278254553
Energy: 0.4224524514071779
Energy: 0.5448484115286423
Energy: 0.420113211468994
Energy: 1.3171594976235768
Energy: 0.4201132114695709
Energy: 0.5437908914079919
Energy: 0.4206099642569928
Energy: 1.093740172679178
Energy: 0.42060996425641595
Energy: 0.7749646266908926
Energy: 0.4205146100608093
Energy: 1.310594986393364
Energy: 0.42051461006138624
Energy: 0.7770510652944498
Energy: 0.42041226035288604
Energy: 1.3103149686239435
Energy: 0.4204122603523091
Energy: 0.7754870068777483
Energy: 0.42269805450954384
Energy: 1.0958651584606893
Energy: 0.4226980545112746
Energy: 0.9908227123959115
Energy: 0.42019910839335706
Energy: 1.3185558787707106
Energy: 0.42019910839278013
Energy: 0.9922026604121539
Energy: 0.4211947665726857
Energy: 1.0979407364070777
Energy: 0.4211947665917246
Energy: 1.1049916088201372
Energy: 0.49291409529202584
Energy: 0.8800039626797006
Energy: 0.49291409529144886
Energy: 0.9893679719560768
Energy: 0.49263274452309525
Energy: 1.1044671175059337
Energy: 0.49263274451847977
Energy: 1.2060863209127528
Energy: 0.42108807059895426
Energy: 0.882649690097767
Energy: 0.4210880705960695
Energy: 1.3155950477232443
Energy: 0.4202155118522605
Energy: 0.884086265889949
Energy: 0.42021551185110667
Energy: 1.0564479989132496
Energy: 0.4235938466716548
Energy: 0.7753704850583042
Energy: 0.4235938466722317
Energy: 1.3152636856229485
Energy: 0.42022065379603396
Energy: 0.7783125046968115
Energy: 0.42022065379144474
Energy: 1.3114568781596116
Energy: 0.42064575464404536
Energy: 0.775092414687955
Energy: 0.4206457546446223
Energy: 1.201503620734436
Energy: 0.4202557534068294
Energy: 0.5439981824172408
Energy: 0.42025575340625243
Energy: 1.316877122168194
Energy: 0.4200110616581945
Energy: 0.544987459760035
Energy: 0.42001106165877145
Energy: 1.309199535149736
Energy: 0.42292186530915077
Energy: 0.5478632238367325
Energy: 0.42292186530915077
Energy: 1.1998473616650107
Energy: 0.4244843786779861
Energy: 0.42024506758903163
Energy: 0.4244843786774092
Energy: 1.3157721478742719
Energy: 0.42017818969829474
Energy: 0.4206139332808538
Energy: 0.42017818969829474
Energy: 1.3060704707644626
Energy: 0.42032058676125444
Energy: 0.422886863059946
Energy: 0.42032058676125444

minimum gb energy = 0.41999678795629397 eV
minimum distance =  2.31776740177944 Angstroms
sigma value = 113


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

Energy: 0.015465009520239643
Energy: 0.3782866119497332
Energy: 1.1908242661614807
Energy: 0.01695691655760191
Energy: 0.9042923256633721
Energy: 0.10389356886635025
Energy: 0.9059235289753669
Energy: 0.10389356886679375
Energy: 0.016486908503067815
Energy: 0.10263890688518278
Energy: 0.9048048741035954
Energy: 0.10263890688476389
Energy: 0.017463143345222018
Energy: 0.10462828588044279
Energy: 0.9023983688103059
Energy: 0.10462828588002392
Energy: 0.9048595986104611
Energy: 0.10379995837304053
Energy: 0.9052354267075835
Energy: 0.10379995837259699
Energy: 0.01629610164629034
Energy: 0.10234759024398964
Energy: 0.9044569269526834
Energy: 0.10234759024529556

minimum gb energy = 0.015465009520239643 eV
minimum distance =  2.52279861508739 Angstroms
sigma value = 1