model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Al__MO_140175748626_002
a1=[1, 0, 0]
a2=[0, 1, 0]
a3=[0, 0, 1]
species=Al
theta_min=0.0
theta_max=90.0
max_denominator=15
short_name=fcc
cutoff_distance=0.5
x_repeat=1
z_repeat=1
min_cell_height=10.0
offset_top=[0.0, 0.0, 0.0]
offset_bottom=[0.0, 0.0, 0.0]
a=4.032988503575325
cohesive_energy=2.9236454478732066
mass=26.981538


Isolated atom energy: 0.0 eV

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

Energy: 0.009059943999343751
Energy: 0.009059944004271177
Energy: 0.009059944002801348
Energy: 0.009059944000337635
Energy: 0.009059944000337635
Energy: 0.009059943999343751
Energy: 0.00905994399787392
Energy: 0.009059944000827578
Energy: 0.009059944000337635
Energy: 0.009059944000337635
Energy: 0.00905994399787392
Energy: 0.009059944000827578
Energy: 0.009059944000337635
Energy: 0.009059944000827578
Energy: 0.00905994400131752
Energy: 0.009059943999343751
Energy: 0.009059944000337635
Energy: 0.009059944002801348
Energy: 0.009059943999833694
Energy: 0.009059943998853808
Energy: 0.009059943998853808
Energy: 0.009059944000337635
Energy: 0.009059944002297407
Energy: 0.009059944000337635
Energy: 0.009059943999833694
Energy: 0.009059944003781234
Energy: 0.009059943999833694
Energy: 0.009059943997383978
Energy: 0.009059943999833694
Energy: 0.009059944000827578
   minimum gb energy = 0.009059943997383978 eV
   minimum distance = 2.85163475484824 Angstroms
   sigma value = 1

========================================
theta = 7.628149668580709
========================================

Energy: 0.6440494502843704
Energy: 0.6640452499009314
Energy: 0.6640452990792968
Energy: 0.5823614587973706
Energy: 0.6640447322967313
Energy: 0.6640449172587126
Energy: 0.5872949046589729
Energy: 0.6427512175276437
Energy: 0.6428039354167179
Energy: 0.5871814830124759
Energy: 0.5824865684532377
Energy: 0.5824932944159729
Energy: 0.5931977341183656
Energy: 0.6640451986195496
Energy: 0.6640453173969748
Energy: 0.5508909314660596
Energy: 0.6728475073609891
Energy: 0.672846316326076
Energy: 0.5874224331585784
Energy: 0.6640451655074566
Energy: 0.6640448029802251
Energy: 0.5874189419639682
Energy: 0.5848809955929836
Energy: 0.5848806609929196
Energy: 0.5931289586866791
Energy: 0.5847839609097798
Energy: 0.5854589521615757
Energy: 0.5872793796515948
Energy: 0.6728463126150918
Energy: 0.6728462777276009
   minimum gb energy = 0.5508909314660596 eV
   minimum distance = 2.52170983741606 Angstroms
   sigma value = 113

========================================
theta = 8.171233559949753
========================================

Energy: 0.674250059347731
Energy: 0.6964908741615208
Energy: 0.6964142298138376
Energy: 0.552324726242963
Energy: 0.6928440036225325
Energy: 0.6928447472175243
Energy: 0.6073804796942096
Energy: 0.696415850037213
Energy: 0.6964145444923507
Energy: 0.6095201114810854
Energy: 0.692843961837383
Energy: 0.6928439338720526
Energy: 0.575960616390609
Energy: 0.6964143263098901
Energy: 0.6964147581336626
Energy: 0.6211898033635767
Energy: 0.6928442499506752
Energy: 0.6928440477173683
Energy: 0.5785186217406268
Energy: 0.6964153738697956
Energy: 0.6964149903222939
Energy: 0.5829432066280704
Energy: 0.6928453909322962
Energy: 0.6928440373985573
Energy: 0.6094624279550287
Energy: 0.6964143027607612
Energy: 0.6964147765588434
Energy: 0.6009089303422641
Energy: 0.704775356909701
Energy: 0.7047760807468066
   minimum gb energy = 0.552324726242963 eV
   minimum distance = 2.5208850178198 Angstroms
   sigma value = 197

========================================
theta = 8.797410709991064
========================================

Energy: 0.7058133647274034
Energy: 0.7216426293425836
Energy: 0.7216426160462134
Energy: 0.6395370124972157
Energy: 0.7214553516495888
Energy: 0.721455428403946
Energy: 0.6436764453117942
Energy: 0.6398616372770329
Energy: 0.6398644860837177
Energy: 0.6400247129807366
Energy: 0.8688187361312509
Energy: 0.8688139079611149
Energy: 0.6472795170637572
Energy: 0.7229787035550228
Energy: 0.7229767611308555
Energy: 0.6026182908091194
Energy: 0.7327472103941405
Energy: 0.732746795812393
Energy: 0.6400212375106531
Energy: 0.6439307509832497
Energy: 0.6438765259415385
Energy: 0.6472396675195135
Energy: 0.7008392189736747
Energy: 0.7008324837487222
Energy: 0.6472567757006747
Energy: 0.6438758653872669
Energy: 0.6438794701289979
Energy: 0.6371912045400173
Energy: 0.7327468223601784
Energy: 0.7327472864413646
   minimum gb energy = 0.6026182908091194 eV
   minimum distance = 2.5205773205944 Angstroms
   sigma value = 169

========================================
theta = 9.527283381452357
========================================

Energy: 0.7414239378765477
Energy: 0.7614379779630343
Energy: 0.7614379749256688
Energy: 0.6746315426215863
Energy: 0.6711903118272208
Energy: 0.6711361803021559
Energy: 0.6671313624891181
Energy: 0.7549104605892142
Energy: 0.7549104402020621
Energy: 0.6680253550356442
Energy: 0.7614379711504218
Energy: 0.7614379975137433
Energy: 0.6841960985225676
Energy: 0.6791464732207562
Energy: 0.6791348505688543
Energy: 0.6832781212699971
Energy: 0.7562671765118032
Energy: 0.7562675473049867
Energy: 0.6834499022015507
Energy: 0.6796252043341121
Energy: 0.6588959607475492
Energy: 0.6615592975266166
Energy: 0.7614380372965548
Energy: 0.7614379694157836
Energy: 0.6746034829125378
Energy: 0.7532721723687957
Energy: 0.7532721485000908
Energy: 0.6792843745763743
Energy: 0.7477585570649196
Energy: 0.7477744560544716
   minimum gb energy = 0.6588959607475492 eV
   minimum distance = 2.51475530879953 Angstroms
   sigma value = 145

========================================
theta = 10.388857815469612
========================================

Energy: 0.7914141178378519
Energy: 0.8099934712425498
Energy: 0.809992448526965
Energy: 0.7253110842402922
Energy: 0.7916338481738683
Energy: 0.7916333379999559
Energy: 0.7144111595662922
Energy: 0.7920960596732319
Energy: 0.7920961367207352
Energy: 0.7078556136508511
Energy: 0.8099923970452784
Energy: 0.8099924225968399
Energy: 0.7139163034588455
Energy: 0.7171771969460726
Energy: 0.7172067840149434
Energy: 0.6532731179720537
Energy: 0.8110325127670301
Energy: 0.8110325943128662
Energy: 0.7139628582450182
Energy: 0.7075534287205202
Energy: 0.7075700898469043
Energy: 0.7139162537460999
Energy: 0.7098570394174237
Energy: 0.709857178154808
Energy: 0.6804022899323385
Energy: 0.7964773947431707
Energy: 0.7964774072447065
Energy: 0.7174995259754339
Energy: 0.7137768401832298
Energy: 0.7137525251175821
   minimum gb energy = 0.6532731179720537 eV
   minimum distance = 2.55780049210422 Angstroms
   sigma value = 61

========================================
theta = 11.421186274999284
========================================

Energy: 0.8192348635279855
Energy: 0.8425381277052971
Energy: 0.8425381276459933
Energy: 0.747914461966119
Energy: 0.8425381307565287
Energy: 0.8425381277846806
Energy: 0.7598046455190447
Energy: 0.851122787207411
Energy: 0.8511227885776804
Energy: 0.7480026011289692
Energy: 0.8123968520228886
Energy: 0.8124447750029643
Energy: 0.7594693011735476
Energy: 0.8085767750716529
Energy: 0.8085747184299112
Energy: 0.759471204667335
Energy: 0.856494013905742
Energy: 0.8564940139165285
Energy: 0.7480893142610339
Energy: 0.8564941091037183
Energy: 0.8564940245649838
Energy: 0.7606152750637493
Energy: 0.8457984253466306
Energy: 0.845798276540326
Energy: 0.7598046629678347
Energy: 0.7543569470631178
Energy: 0.7543590077636743
Energy: 0.7594692811439885
Energy: 0.8108340474226851
Energy: 0.8109816771837954
   minimum gb energy = 0.747914461966119 eV
   minimum distance = 2.50352658514709 Angstroms
   sigma value = 101

========================================
theta = 12.68038349181982
========================================

Energy: 0.8375515970263508
Energy: 0.8982907102194982
Energy: 0.8982947309072973
Energy: 0.7370576775593723
Energy: 0.8982908932446153
Energy: 0.8982923263635926
Energy: 0.7965024326305153
Energy: 0.8982895453555677
Energy: 0.8982935820047216
Energy: 0.7246159892590399
Energy: 0.8982938781836682
Energy: 0.8982898789408282
Energy: 0.7246142759567272
Energy: 0.8982926194656811
Energy: 0.8982914239909451
Energy: 0.7607107953499705
Energy: 0.8982948331782364
Energy: 0.8982914946856698
Energy: 0.8028686351968375
Energy: 0.8982938224108861
Energy: 0.8982944140671559
Energy: 0.7965152816331905
Energy: 0.898291629026114
Energy: 0.8982917699978344
Energy: 0.7370616131602774
Energy: 0.8982940100814533
Energy: 0.8982937738850781
Energy: 0.811766664058184
Energy: 0.8982904240989413
Energy: 0.8982918161680212
   minimum gb energy = 0.7246142759567272 eV
   minimum distance = 2.5093989983604 Angstroms
   sigma value = 81

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

Energy: 0.9002126495146096
Energy: 0.9547807463645583
Energy: 0.9547801465003336
Energy: 0.7774692611204262
Energy: 0.8212126592532526
Energy: 0.821237617404568
Energy: 0.7774742004583207
Energy: 0.863018012551549
Energy: 0.8632259336106048
Energy: 0.8642785184002036
Energy: 0.7825724343763149
Energy: 0.7825725126620162
Energy: 0.7877421120474984
Energy: 0.8786732460003435
Energy: 0.8786729339858448
Energy: 0.7877420865375083
Energy: 0.9562363883047792
Energy: 0.9562361670975926
Energy: 0.8255200498957835
Energy: 0.8278660224280485
Energy: 0.8278551535016873
Energy: 0.8642830570843371
Energy: 0.8256869972807792
Energy: 0.8256798458278761
Energy: 0.7774695585460246
Energy: 0.8212256999354559
Energy: 0.8212262108561934
Energy: 0.8767144690895733
Energy: 0.9474824857365504
Energy: 0.9474825411037147
   minimum gb energy = 0.7774692611204262 eV
   minimum distance = 2.49716669878059 Angstroms
   sigma value = 1

========================================
theta = 15.18928673718289
========================================

Energy: 0.8915462475135866
Energy: 0.9889762465886924
Energy: 0.9889738646670742
Energy: 0.8736476383664706
Energy: 0.8943681915821072
Energy: 0.894364660188351
Energy: 0.8986507839904082
Energy: 0.9333496472635309
Energy: 0.9332140207999281
Energy: 0.8438860690711817
Energy: 0.9889757948787591
Energy: 0.9889778823642127
Energy: 0.897012227976598
Energy: 0.8922858818485292
Energy: 0.8923370079051464
Energy: 0.8484617183248448
Energy: 0.9613149765274096
Energy: 0.961368162963781
Energy: 0.8758270322302389
Energy: 0.9889740777320888
Energy: 0.9889741190070982
Energy: 0.8969856197988677
Energy: 0.897096423778656
Energy: 0.8972508605793512
Energy: 0.8018303410240533
Energy: 0.994857034614085
Energy: 0.9948570285405045
Energy: 0.9062414472931152
Energy: 0.9541783253347009
Energy: 0.9541546865683336
   minimum gb energy = 0.8018303410240533 eV
   minimum distance = 2.48948195856803 Angstroms
   sigma value = 229

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

Energy: 0.9162864033527174
Energy: 1.0202943057364702
Energy: 1.0202943988658548
Energy: 0.932461962792367
Energy: 0.93056043995824
Energy: 0.9306216649569458
Energy: 0.9180994428416884
Energy: 1.0202942602256269
Energy: 1.0202943490204872
Energy: 0.9183194450596012
Energy: 1.0202942874698606
Energy: 1.0202947838806142
Energy: 0.9252612850474538
Energy: 0.9522609015415903
Energy: 0.9522605634453929
Energy: 0.8715732471400557
Energy: 1.0202942568404567
Energy: 1.0202942094489915
Energy: 0.9182768934215866
Energy: 0.9252644707816815
Energy: 0.9252908097333952
Energy: 0.8247707831429244
Energy: 1.0202943573677525
Energy: 1.0202942760724798
Energy: 0.9181087438103611
Energy: 0.8331466038787613
Energy: 0.8331483093005456
Energy: 0.9325510847702795
Energy: 0.9832541892290223
Energy: 0.9832855480374232
   minimum gb energy = 0.8247707831429244 eV
   minimum distance = 2.49596695869332 Angstroms
   sigma value = 25

========================================
theta = 17.49232452511042
========================================

Energy: 0.905186632458629
Energy: 1.0450694752021439
Energy: 1.0451517018114063
Energy: 0.8611148451608827
Energy: 1.0514974403541748
Energy: 1.0513279339052244
Energy: 0.8570940796369789
Energy: 1.0705091842137269
Energy: 1.0705090352898692
Energy: 0.915545992882348
Energy: 1.0513833009261724
Energy: 1.0513914962845212
Energy: 0.9654671934240849
Energy: 1.045072472627488
Energy: 1.0450820555077587
Energy: 0.9403042564456602
Energy: 1.0515410103179472
Energy: 1.0512800542544414
Energy: 0.9103564695530222
Energy: 1.0449839242505985
Energy: 1.0449845165361722
Energy: 0.9589404848174898
Energy: 0.9669735064700374
Energy: 0.9670038977925075
Energy: 0.9438479228297698
Energy: 1.060907756138437
Energy: 1.060943903782312
Energy: 0.94063586263236
Energy: 0.9951930097367244
Energy: 0.9952153489022332
   minimum gb energy = 0.8570940796369789 eV
   minimum distance = 2.49773876290277 Angstroms
   sigma value = 173

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

Energy: 1.0314945835755998
Energy: 1.1042232699808603
Energy: 1.1042232721605767
Energy: 0.9953054821380019
Energy: 0.9953064582147658
Energy: 0.9953060681591125
Energy: 1.0114577683281285
Energy: 1.0760359915933255
Energy: 1.076004366161869
Energy: 0.945776685026037
Energy: 1.1041712754701205
Energy: 1.1041712808546527
Energy: 0.9953054741810375
Energy: 0.9953054504048856
Energy: 0.995305314687092
Energy: 0.9953522686529408
Energy: 0.9989394329218229
Energy: 0.9990779166212894
Energy: 0.8861789124321823
Energy: 1.0683395164661944
Energy: 1.0684129172016639
Energy: 0.9486667442220218
Energy: 1.0621916448058195
Energy: 1.0621965604675783
Energy: 0.9447718149085704
Energy: 0.9953053364390047
Energy: 0.9953055073765034
Energy: 0.9955365927472285
Energy: 0.9456270610223264
Energy: 0.9456058039856131
   minimum gb energy = 0.8861789124321823 eV
   minimum distance = 2.52410994959774 Angstroms
   sigma value = 9

========================================
theta = 20.609692937532067
========================================

Energy: 1.1009734331333731
Energy: 1.1543593694979986
Energy: 1.154236988511992
Energy: 0.9816855033764199
Energy: 1.2022951152007162
Energy: 1.2020482090151783
Energy: 1.0531329395132265
Energy: 1.0484890911356044
Energy: 1.048600933416114
Energy: 1.0355855009911525
Energy: 1.1075625781301124
Energy: 1.1074385068027086
Energy: 1.0434948080004214
Energy: 1.0516585522047437
Energy: 1.0514497062229753
Energy: 1.0227319664691001
Energy: 1.0435011970874974
Energy: 1.0435068561265142
Energy: 1.0366328169940124
Energy: 1.0006486312696508
Energy: 1.000644430737347
Energy: 1.024254738008109
Energy: 1.0366328031539844
Energy: 1.036633959269892
Energy: 1.0435561000308937
Energy: 0.9706627769118177
Energy: 0.9706635148955258
Energy: 0.9789645264576311
Energy: 1.0435782508761768
Energy: 1.0435668858710359
   minimum gb energy = 0.9706627769118177 eV
   minimum distance = 2.53341821494764 Angstroms
   sigma value = 31

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

Energy: 1.1191798840039608
Energy: 1.0822284615547408
Energy: 1.08222678218108
Energy: 0.9536959865935626
Energy: 1.0737087010719466
Energy: 1.0737086989140696
Energy: 1.1100616636459317
Energy: 1.1622453920403166
Energy: 1.1623639826253498
Energy: 1.0853024499610018
Energy: 0.9784900422580195
Energy: 0.9784900771817685
Energy: 1.085302453024896
Energy: 1.0188274473219163
Energy: 1.0188274539036901
Energy: 1.0188274428854567
Energy: 1.073708699995896
Energy: 1.07370869887737
Energy: 0.9536959110374523
Energy: 1.1098360580377198
Energy: 1.1098403015851224
Energy: 0.953696281954188
Energy: 1.0188317738214612
Energy: 1.0188274527214074
Energy: 1.0414360804249976
Energy: 1.0277305477799856
Energy: 1.0277305330999522
Energy: 1.0415375560686573
Energy: 1.0277305502266465
Energy: 1.0277305337992588
   minimum gb energy = 0.9536959110374523 eV
   minimum distance = 2.52444951422197 Angstroms
   sigma value = 25

========================================
theta = 24.189514154024202
========================================

Energy: 1.1420849658917258
Energy: 1.1046211261985397
Energy: 1.1042581094577146
Energy: 1.0919802452908536
Energy: 1.0305136993565023
Energy: 1.030532122536464
Energy: 1.0921033399805145
Energy: 1.0305147186155201
Energy: 1.0305176224305954
Energy: 1.0967575405609973
Energy: 1.1043121407126557
Energy: 1.1046809936337376
Energy: 1.0920077402635104
Energy: 1.0522072109167004
Energy: 1.0523007004559974
Energy: 1.0925773829920373
Energy: 1.0576581768148028
Energy: 1.0570961805220331
Energy: 1.0495695091509647
Energy: 1.1047202905276212
Energy: 1.1044177343268953
Energy: 1.0967762256677107
Energy: 1.0717280009853904
Energy: 1.0710649025634604
Energy: 1.0921670110816937
Energy: 1.0700198678519954
Energy: 1.0700308419735332
Energy: 0.9930002459496206
Energy: 1.1042584486457472
Energy: 1.1045296359802197
   minimum gb energy = 0.9930002459496206 eV
   minimum distance = 2.5330301496229 Angstroms
   sigma value = 205

========================================
theta = 25.057615418303023
========================================

Energy: 1.126286937852658
Energy: 1.1033341451000205
Energy: 1.1033626057535295
Energy: 1.0446986875934006
Energy: 1.0905275029541281
Energy: 1.0904538716473036
Energy: 1.022895862818627
Energy: 1.0543469886352244
Energy: 1.0544329313469196
Energy: 1.0904491448570508
Energy: 1.0418098544802943
Energy: 1.0417798660104447
Energy: 1.0499887245666593
Energy: 1.0103175876113466
Energy: 1.0102857918135912
Energy: 1.1308361723117863
Energy: 1.0903608721099436
Energy: 1.0904895184839252
Energy: 1.1028344829303052
Energy: 1.090419271857189
Energy: 1.0905307867024114
Energy: 1.0340523202307286
Energy: 1.0904375999144478
Energy: 1.0904200299771079
Energy: 1.104491007548832
Energy: 1.0967203115814397
Energy: 1.0966967183311218
Energy: 1.0102756910396116
Energy: 1.0705580069423717
Energy: 1.0705849707176054
   minimum gb energy = 1.0102756910396116 eV
   minimum distance = 2.49448423823864 Angstroms
   sigma value = 85

========================================
theta = 25.98923358383301
========================================

Energy: 1.146960516924638
Energy: 1.095916961513954
Energy: 1.095907285859829
Energy: 1.0753992998869621
Energy: 1.09591642746199
Energy: 1.0959179620264745
Energy: 1.075469456685504
Energy: 1.0917178201546052
Energy: 1.091717897374131
Energy: 1.0756528074083018
Energy: 1.0799300624640928
Energy: 1.0799641300718803
Energy: 1.0230713731648362
Energy: 1.0915524172910318
Energy: 1.0913868825807167
Energy: 1.0556479370949439
Energy: 1.1606033832499896
Energy: 1.1606373754711508
Energy: 1.0776973254573678
Energy: 1.0845782171607312
Energy: 1.0845789592260642
Energy: 1.049015021944681
Energy: 1.079610053734372
Energy: 1.079678810786502
Energy: 1.0512855095975653
Energy: 1.0917242095159978
Energy: 1.0917182277430098
Energy: 1.0152251935918577
Energy: 1.0917203412008551
Energy: 1.0917235772402851
   minimum gb energy = 1.0152251935918577 eV
   minimum distance = 2.55004514713477 Angstroms
   sigma value = 89

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

Energy: 1.0453661892582176
Energy: 1.0704228124649382
Energy: 1.0704905383582985
Energy: 1.1072059651090242
Energy: 1.0292051812019622
Energy: 1.0292052240921477
Energy: 1.1999583160823295
Energy: 1.040148537899898
Energy: 1.0401687309727181
Energy: 1.029205921505141
Energy: 1.036556490008037
Energy: 1.036555441845306
Energy: 1.1167253154300434
Energy: 1.0292051907463875
Energy: 1.0292053122054439
Energy: 1.0292051053578388
Energy: 1.0839520409994308
Energy: 1.0839446041979588
Energy: 1.1167167443939794
Energy: 1.280791628432294
Energy: 1.2807916225049585
Energy: 1.0292052195027006
Energy: 1.0839596646959977
Energy: 1.0839560370520807
Energy: 1.029206427793147
Energy: 1.0401485743120622
Energy: 1.0401515010967106
Energy: 1.0365553514504184
Energy: 1.0292055542945264
Energy: 1.0292086507070974
   minimum gb energy = 1.0292051053578388 eV
   minimum distance = 2.55294924463149 Angstroms
   sigma value = 17

========================================
theta = 29.86283435627511
========================================

Energy: 1.1414453136065068
Energy: 1.0977113679030408
Energy: 1.0981560054537898
Energy: 1.0626885399299393
Energy: 1.0915536121239136
Energy: 1.0914667806011098
Energy: 1.1009639286409134
Energy: 1.1007983854053098
Energy: 1.100567283941901
Energy: 1.129767960687999
Energy: 1.1018687419886264
Energy: 1.101362223032695
Energy: 1.0895538934917752
Energy: 1.0974221790730512
Energy: 1.0974188033182157
Energy: 1.1436014847570182
Energy: 1.1207570187835632
Energy: 1.120917794909599
Energy: 1.0894219055799017
Energy: 1.0983428756864342
Energy: 1.0983415273548196
Energy: 1.052970599953341
Energy: 1.0688300993862123
Energy: 1.0688111419433024
Energy: 1.1466113575901038
Energy: 1.11646725495059
Energy: 1.116757658522755
Energy: 1.0994914298912952
Energy: 1.1013629327087517
Energy: 1.1014659247328016
   minimum gb energy = 1.052970599953341 eV
   minimum distance = 2.55709711669 Angstroms
   sigma value = 241

========================================
theta = 30.510237406115554
========================================

Energy: 1.1456069807479432
Energy: 1.0868675442377391
Energy: 1.0868607638309324
Energy: 1.0991554056877408
Energy: 1.1094045725095756
Energy: 1.10951970206732
Energy: 1.1897068356720757
Energy: 1.1156861993423595
Energy: 1.1153841940580884
Energy: 1.0992447844518
Energy: 1.08686034306465
Energy: 1.0868602893411523
Energy: 1.0637680614597216
Energy: 1.0868635498326318
Energy: 1.0874935714234752
Energy: 1.1934294777472856
Energy: 1.1731494664149882
Energy: 1.1739754678093681
Energy: 1.1097155930936775
Energy: 1.2110647868480482
Energy: 1.2110423023407486
Energy: 1.099277539666532
Energy: 1.086893403348424
Energy: 1.0868770200267117
Energy: 1.0630813254270277
Energy: 1.109418537152711
Energy: 1.109844494009963
Energy: 1.167794015025597
Energy: 1.0797818426418075
Energy: 1.079777370232386
   minimum gb energy = 1.0630813254270277 eV
   minimum distance = 2.54919519087297 Angstroms
   sigma value = 65

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

Energy: 1.1256698329527892
Energy: 1.080372351961122
Energy: 1.080343243672274
Energy: 1.0584752298809754
Energy: 1.1314674770650879
Energy: 1.1314181300492834
Energy: 1.0584692684050827
Energy: 1.1039153512653137
Energy: 1.1038705432572389
Energy: 1.1161534609363684
Energy: 1.0584689773718108
Energy: 1.0584689393025664
Energy: 1.2540852098082937
Energy: 1.0641786464105274
Energy: 1.0641826740311966
Energy: 1.221228827789904
Energy: 1.1223874571212806
Energy: 1.122385311843864
Energy: 1.0584693345443625
Energy: 1.1038884575579462
Energy: 1.103865332059852
Energy: 1.0979369055510786
Energy: 1.0584716614331804
Energy: 1.0584691912917368
Energy: 1.0641790974839118
Energy: 1.0803195181855596
Energy: 1.0803856528158178
Energy: 1.0584688956018768
Energy: 1.1637913603854093
Energy: 1.1637046870708034
   minimum gb energy = 1.0584688956018768 eV
   minimum distance = 2.56263073124915 Angstroms
   sigma value = 53

========================================
theta = 33.39848846798724
========================================

Energy: 1.13475122319439
Energy: 1.0792208184187364
Energy: 1.0792220154686705
Energy: 1.2631803852751469
Energy: 1.1412608818718857
Energy: 1.1412630895267615
Energy: 1.1042854930399189
Energy: 1.1431591682544278
Energy: 1.1434341036395985
Energy: 1.0579613062161304
Energy: 1.229335192594232
Energy: 1.2293352034167047
Energy: 1.2403154578284203
Energy: 1.1188615380480793
Energy: 1.1188620636561644
Energy: 1.0576226059162268
Energy: 1.2296556717653824
Energy: 1.2296490608960444
Energy: 1.1042429687691586
Energy: 1.0630448633488896
Energy: 1.0628955535171207
Energy: 1.1936956183621776
Energy: 1.1412602870303563
Energy: 1.1412730555555706
Energy: 1.0723885268974238
Energy: 1.0793650166771835
Energy: 1.0795235191016397
Energy: 1.2129911508222324
Energy: 1.135987456784658
Energy: 1.136146297518771
   minimum gb energy = 1.0576226059162268 eV
   minimum distance = 2.55588521333295 Angstroms
   sigma value = 109

========================================
theta = 34.20545793810475
========================================

Energy: 1.1680825339209004
Energy: 1.1189297557569289
Energy: 1.11985968596272
Energy: 1.0692482374336327
Energy: 1.111646421994662
Energy: 1.1112385491091945
Energy: 1.0985106166036698
Energy: 1.1426953062992464
Energy: 1.1420202824302712
Energy: 1.095552044059516
Energy: 1.102771783481383
Energy: 1.1027372217769604
Energy: 1.2412446116615448
Energy: 1.1644728738195145
Energy: 1.1639862616192433
Energy: 1.0955519275243042
Energy: 1.1027203289373042
Energy: 1.1027215495284364
Energy: 1.0983104042476568
Energy: 1.142027650543525
Energy: 1.1420289991672512
Energy: 1.069634775558253
Energy: 1.11122541845449
Energy: 1.111718438013779
Energy: 1.1093770711337627
Energy: 1.1197642045329232
Energy: 1.1188282892417853
Energy: 1.0693922069958173
Energy: 1.1116404243118454
Energy: 1.111202802805986
   minimum gb energy = 1.0692482374336327 eV
   minimum distance = 2.54554369302105 Angstroms
   sigma value = 185

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

Energy: 1.0396975218452351
Energy: 1.0396981940882317
Energy: 1.0396972466256336
Energy: 1.152796995797515
Energy: 1.056048139962295
Energy: 1.0560480774681762
Energy: 1.0499488814465807
Energy: 1.0666163075888269
Energy: 1.0666132784198434
Energy: 1.1799066195402763
Energy: 1.056048147680626
Energy: 1.0560485296118614
Energy: 1.0397012021190324
Energy: 1.0396973502932918
Energy: 1.0396973485582304
Energy: 1.1527967491360342
Energy: 1.056049174616099
Energy: 1.056048533026208
Energy: 1.0396978831774917
Energy: 1.066618879205721
Energy: 1.066609267725147
Energy: 1.179925306463432
Energy: 1.1052638004719368
Energy: 1.105263797789939
Energy: 1.0396995136813736
Energy: 1.0396985721232326
Energy: 1.039713728361679
Energy: 1.152796453354019
Energy: 1.105089304585885
Energy: 1.1052173563950276
   minimum gb energy = 1.0396972466256336 eV
   minimum distance = 2.5365946188275 Angstroms
   sigma value = 9

========================================
theta = 39.30764811610662
========================================

Energy: 1.1793477232811032
Energy: 1.1135697332290746
Energy: 1.1134127160289813
Energy: 1.2712407153780323
Energy: 1.1528648610384529
Energy: 1.152883348415413
Energy: 1.1033242786527542
Energy: 1.1459535569906083
Energy: 1.1462092183237693
Energy: 1.112554276209967
Energy: 1.1367229098107134
Energy: 1.1359406382821935
Energy: 1.113687261150982
Energy: 1.1895817973353837
Energy: 1.189729870663888
Energy: 1.104680147883479
Energy: 1.1412428250313653
Energy: 1.1410209045405504
Energy: 1.3079458967027742
Energy: 1.1550521529153717
Energy: 1.155013948014551
Energy: 1.1366983805878152
Energy: 1.16208296034279
Energy: 1.161721049844216
Energy: 1.2766945765805717
Energy: 1.1268867923047479
Energy: 1.127180188855072
Energy: 1.114307628400271
Energy: 1.1282445272145882
Energy: 1.1279280788605468
   minimum gb energy = 1.1033242786527542 eV
   minimum distance = 2.53999463710749 Angstroms
   sigma value = 221

========================================
theta = 39.96621304379996
========================================

Energy: 1.1845130079494781
Energy: 1.139418263634974
Energy: 1.1392607754837556
Energy: 1.0957567430680468
Energy: 1.1476939212350055
Energy: 1.1477049871400467
Energy: 1.0753582552903163
Energy: 1.1457486178157577
Energy: 1.1471005985712457
Energy: 1.0738260010939586
Energy: 1.174269536894642
Energy: 1.174270506785193
Energy: 1.1266251864213006
Energy: 1.1434650848188304
Energy: 1.1434176237118583
Energy: 1.185862020328321
Energy: 1.1324267724163437
Energy: 1.132344651766304
Energy: 1.3184102751026805
Energy: 1.090034054169935
Energy: 1.0899927808319942
Energy: 1.2324341052699563
Energy: 1.0888608250631564
Energy: 1.0888601822930506
Energy: 1.229026867837369
Energy: 1.1518890500704528
Energy: 1.1520136974682453
Energy: 1.1927873174519121
Energy: 1.1830045731281815
Energy: 1.1818988823581829
   minimum gb energy = 1.0738260010939586 eV
   minimum distance = 2.55190494074506 Angstroms
   sigma value = 137

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

Energy: 1.1135562555388452
Energy: 1.175672366944598
Energy: 1.1758168457696963
Energy: 1.2571829282168798
Energy: 1.0869584931919072
Energy: 1.0865059274901543
Energy: 1.1636087066496108
Energy: 1.2193854989867976
Energy: 1.2198378466280326
Energy: 1.0863086024290889
Energy: 1.143492886019337
Energy: 1.1434484993895788
Energy: 1.1635641194899553
Energy: 1.1707327180814222
Energy: 1.1706190420852984
Energy: 1.0863909334725494
Energy: 1.219652401459158
Energy: 1.21966252717963
Energy: 1.318138730141253
Energy: 1.2053701443177731
Energy: 1.205280863867805
Energy: 1.0863212878663793
Energy: 1.1933407204415902
Energy: 1.193341798060296
Energy: 1.1974589718554394
Energy: 1.1352123733129094
Energy: 1.1352667432105492
Energy: 1.0864062166605855
Energy: 1.135191931887163
Energy: 1.1352503645440422
   minimum gb energy = 1.0863086024290889 eV
   minimum distance = 2.5535472340553 Angstroms
   sigma value = 73

========================================
theta = 42.075022050843636
========================================

Energy: 1.1811736732060223
Energy: 1.1442868201216934
Energy: 1.1442552672798902
Energy: 1.125416177926531
Energy: 1.1699564050341573
Energy: 1.1699163729349704
Energy: 1.1250166370983707
Energy: 1.128473778817596
Energy: 1.1284712392053862
Energy: 1.088094786182967
Energy: 1.144257829247384
Energy: 1.1442620652874307
Energy: 1.1477800326165255
Energy: 1.2119605836348477
Energy: 1.2118772721534787
Energy: 1.0924619802775282
Energy: 1.0981701887687558
Energy: 1.097478467151773
Energy: 1.094961062939809
Energy: 1.1442485966138496
Energy: 1.1442958052844137
Energy: 1.1125954899069284
Energy: 1.2771487981997642
Energy: 1.2773940670113373
Energy: 1.1169760158283863
Energy: 1.0983040386535519
Energy: 1.098213233856398
Energy: 1.0944401380747442
Energy: 1.121022838252929
Energy: 1.1210227177413832
   minimum gb energy = 1.088094786182967 eV
   minimum distance = 2.54389797097892 Angstroms
   sigma value = 97

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

Energy: 1.140321467612392
Energy: 1.1368553214196757
Energy: 1.136852538850685
Energy: 1.085693190644281
Energy: 1.174825212155333
Energy: 1.1748260678229532
Energy: 1.1004737528482647
Energy: 1.1693448274750509
Energy: 1.1685711481020733
Energy: 1.0872153916624403
Energy: 1.0856019307885951
Energy: 1.0856029060594927
Energy: 1.2734441561006502
Energy: 1.08561942635429
Energy: 1.0856380818025757
Energy: 1.2023511193808982
Energy: 1.1218676443289797
Energy: 1.1215803152385202
Energy: 1.1641914578619685
Energy: 1.0910968282462923
Energy: 1.0918751607442503
Energy: 1.1330167759294931
Energy: 1.0855994839542538
Energy: 1.0855994157429205
Energy: 1.140260180073667
Energy: 1.1695841118591004
Energy: 1.1695850740677667
Energy: 1.0765232376532736
Energy: 1.1817714502158867
Energy: 1.1817729539062574
   minimum gb energy = 1.0765232376532736 eV
   minimum distance = 2.52819288519962 Angstroms
   sigma value = 7

========================================
theta = 45.23972989608085
========================================

Energy: 1.1110559046939927
Energy: 1.0970019013060381
Energy: 1.0968871639768296
Energy: 1.0949898657512511
Energy: 1.150134684397152
Energy: 1.1505106306935333
Energy: 1.281002534887333
Energy: 1.0959210554854708
Energy: 1.0950953216453077
Energy: 1.0952511321702072
Energy: 1.198769196236212
Energy: 1.1993186846451354
Energy: 1.0949886519483638
Energy: 1.1074529249615803
Energy: 1.1080228121510494
Energy: 1.0958191944027773
Energy: 1.2158496569361241
Energy: 1.215850889420817
Energy: 1.0909003565094626
Energy: 1.1011692536315312
Energy: 1.1011591868499147
Energy: 1.266486452207642
Energy: 1.1006755831411275
Energy: 1.1016374591158953
Energy: 1.0909554409476836
Energy: 1.101158148372668
Energy: 1.1011617485820793
Energy: 1.0953463470485172
Energy: 1.1432406374999593
Energy: 1.1431007617997657
   minimum gb energy = 1.0909003565094626 eV
   minimum distance = 2.52055963181795 Angstroms
   sigma value = 169

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

Energy: 1.1479840799535748
Energy: 1.1000351795544605
Energy: 1.1000283002807567
Energy: 1.0942054877411198
Energy: 1.1350903759036084
Energy: 1.1350722687201278
Energy: 1.1863228541737296
Energy: 1.1089981172385015
Energy: 1.1088103116175845
Energy: 1.0949956007253854
Energy: 1.1505493508337747
Energy: 1.1507710381604879
Energy: 1.1057248082559796
Energy: 1.111919137172577
Energy: 1.1122483464133492
Energy: 1.2746296585698067
Energy: 1.1090600791745269
Energy: 1.1095145352101088
Energy: 1.099124830916424
Energy: 1.161855446560545
Energy: 1.161971349403845
Energy: 1.0950406941640045
Energy: 1.0966116634052172
Energy: 1.0964817989483666
Energy: 1.269586935561429
Energy: 1.0994562882234424
Energy: 1.099383056744006
Energy: 1.0994202245075693
Energy: 1.1487716762545612
Energy: 1.1485342413134112
   minimum gb energy = 1.0942054877411198 eV
   minimum distance = 2.51416124001574 Angstroms
   sigma value = 29

========================================
theta = 47.92497794915637
========================================

Energy: 1.1297548423088952
Energy: 1.1075491264248538
Energy: 1.1076972237334395
Energy: 1.098296473579504
Energy: 1.1730496243386865
Energy: 1.1732699074927408
Energy: 1.1292765886705158
Energy: 1.1015050024471604
Energy: 1.1017911664562372
Energy: 1.1078232972263165
Energy: 1.1631894618021317
Energy: 1.163251673520827
Energy: 1.1018389183790533
Energy: 1.1118316128942818
Energy: 1.112013098439555
Energy: 1.1252447671845636
Energy: 1.1079730015603428
Energy: 1.1079513422266787
Energy: 1.1075975035171945
Energy: 1.1119090284873683
Energy: 1.1118212779441448
Energy: 1.1014945487914782
Energy: 1.1148898262845126
Energy: 1.1147876401923447
Energy: 1.1035229033144494
Energy: 1.107529219250711
Energy: 1.1075410397683414
Energy: 1.3401081582754344
Energy: 1.1575052201509257
Energy: 1.157697774135041
   minimum gb energy = 1.098296473579504 eV
   minimum distance = 2.51340914995333 Angstroms
   sigma value = 97

========================================
theta = 48.88790956083307
========================================

Energy: 1.1216947344070944
Energy: 1.104511057304767
Energy: 1.1040885996229564
Energy: 1.0972417541776927
Energy: 1.1888101608311537
Energy: 1.1888082453589173
Energy: 1.0927409628740956
Energy: 1.103906738026571
Energy: 1.1038109445967363
Energy: 1.088971414031665
Energy: 1.1644828383450665
Energy: 1.1646343680604572
Energy: 1.2563050971632095
Energy: 1.0997340357985408
Energy: 1.0990437749380615
Energy: 1.1739786545810085
Energy: 1.1116710165019947
Energy: 1.111553670164417
Energy: 1.0980098829757083
Energy: 1.111377995483615
Energy: 1.1109576239867556
Energy: 1.0972465455511975
Energy: 1.1061209922056994
Energy: 1.106128376565815
Energy: 1.092809440443227
Energy: 1.240253746468408
Energy: 1.240254501905867
Energy: 1.0976702591879233
Energy: 1.1056103867704647
Energy: 1.1065351237594572
   minimum gb energy = 1.088971414031665 eV
   minimum distance = 2.52661126688894 Angstroms
   sigma value = 73

========================================
theta = 49.55028113766384
========================================

Energy: 1.1185802187079854
Energy: 1.107284171889521
Energy: 1.1077725070445112
Energy: 1.2746212301689577
Energy: 1.1010590272359209
Energy: 1.1007942654718268
Energy: 1.0965709277201572
Energy: 1.1726181590968612
Energy: 1.1725200344895874
Energy: 1.226929898086884
Energy: 1.099219056736194
Energy: 1.0992167894359306
Energy: 1.094924802164716
Energy: 1.1776157668901834
Energy: 1.1775634360236524
Energy: 1.1083960334935925
Energy: 1.1003199453505004
Energy: 1.100363017512653
Energy: 1.0913248191290854
Energy: 1.2081127815612749
Energy: 1.207985474452467
Energy: 1.09122516552599
Energy: 1.1090689793398438
Energy: 1.1084276270997928
Energy: 1.0947200805492108
Energy: 1.1076430990184134
Energy: 1.1083826760672881
Energy: 1.0973161952579944
Energy: 1.1008192510140538
Energy: 1.1010114907048307
   minimum gb energy = 1.09122516552599 eV
   minimum distance = 2.51474497146018 Angstroms
   sigma value = 205

========================================
theta = 50.033786956200046
========================================

Energy: 1.1241104685832288
Energy: 1.1088491218956842
Energy: 1.1088471318677595
Energy: 1.104172115627885
Energy: 1.1087793706655538
Energy: 1.1090298898751012
Energy: 1.0976583995239615
Energy: 1.1698230016863376
Energy: 1.1700361246965287
Energy: 1.0937065429710962
Energy: 1.0982107346393257
Energy: 1.0982015484347516
Energy: 1.0892418002181121
Energy: 1.0982142785159237
Energy: 1.0985865230192458
Energy: 1.0985279735329718
Energy: 1.0983145986713616
Energy: 1.0984135943320292
Energy: 1.1261707972882677
Energy: 1.098315232652891
Energy: 1.0984468228790247
Energy: 1.1731933885613803
Energy: 1.1086627208117785
Energy: 1.1086051478568795
Energy: 1.0929231855030985
Energy: 1.1091129439067073
Energy: 1.1086754758950375
Energy: 1.0987991225660572
Energy: 1.0984242294889144
Energy: 1.0984887092065938
   minimum gb energy = 1.0892418002181121 eV
   minimum distance = 2.51953242343813 Angstroms
   sigma value = 137

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

Energy: 1.0859926475401367
Energy: 1.053092960095592
Energy: 1.053092956732629
Energy: 1.0590105126604206
Energy: 1.0859914192243227
Energy: 1.0859914810925675
Energy: 1.053092367378032
Energy: 1.0860390956294992
Energy: 1.0860379010238959
Energy: 1.0859916593486558
Energy: 1.0584463710652163
Energy: 1.0584463576652752
Energy: 1.085992405829478
Energy: 1.0859915621977474
Energy: 1.0859923143466113
Energy: 1.0859919227303894
Energy: 1.0860413405111322
Energy: 1.0860378119304461
Energy: 1.058984277189844
Energy: 1.1532561405463722
Energy: 1.1532565214855415
Energy: 1.0859919420144517
Energy: 1.0859915064065644
Energy: 1.0859915470513433
Energy: 1.0859914444726873
Energy: 1.0859944282609264
Energy: 1.0859921052311607
Energy: 1.05845505460354
Energy: 1.1532562823960049
Energy: 1.1532551910437139
   minimum gb energy = 1.053092367378032 eV
   minimum distance = 2.52551893629596 Angstroms
   sigma value = 5

========================================
theta = 56.144973871705915
========================================

Energy: 1.0779967771638297
Energy: 1.074596004113443
Energy: 1.0746084430983878
Energy: 1.0579193401487583
Energy: 1.1367608493588321
Energy: 1.1366748329654683
Energy: 1.0478363817191654
Energy: 1.04747549491847
Energy: 1.0474591177683177
Energy: 1.0454578765279072
Energy: 1.047702763519835
Energy: 1.0473953372578404
Energy: 1.1481132144834716
Energy: 1.0405883628717894
Energy: 1.0404875846581905
Energy: 1.196482915523961
Energy: 1.0437524906914728
Energy: 1.043971759964753
Energy: 1.0399821802426035
Energy: 1.0708389128935962
Energy: 1.0705033609771166
Energy: 1.0402328014310118
Energy: 1.0620725342652415
Energy: 1.061897548800714
Energy: 1.0405846748748446
Energy: 1.0642791660620234
Energy: 1.064249067520645
Energy: 1.0400410545558363
Energy: 1.0553134770316064
Energy: 1.055310497711709
   minimum gb energy = 1.0399821802426035 eV
   minimum distance = 2.52778178681226 Angstroms
   sigma value = 289

========================================
theta = 56.60151153201276
========================================

Energy: 1.0667788957002928
Energy: 1.0739941646643127
Energy: 1.0737685766996579
Energy: 1.0437822891412123
Energy: 1.0466193102403585
Energy: 1.0465907728889938
Energy: 1.0503786993379782
Energy: 1.0378209885540066
Energy: 1.0377991583151989
Energy: 1.0313572476604784
Energy: 1.0654887320753998
Energy: 1.0651895715321125
Energy: 1.0309078093774366
Energy: 1.1392600588919266
Energy: 1.1392716490594172
Energy: 1.2277084194402892
Energy: 1.055199920574166
Energy: 1.055272639880258
Energy: 1.0360978819866786
Energy: 1.0533722699792694
Energy: 1.053383040726896
Energy: 1.0364602943080914
Energy: 1.0572330784133193
Energy: 1.057108929701101
Energy: 1.0308208340555836
Energy: 1.0533827987247864
Energy: 1.0534451555116457
Energy: 1.1205265516854885
Energy: 1.0451730407827395
Energy: 1.045224038652308
   minimum gb energy = 1.0308208340555836 eV
   minimum distance = 2.53748436342015 Angstroms
   sigma value = 109

========================================
theta = 57.22091933193044
========================================

Energy: 1.0601117573757473
Energy: 1.064541072874687
Energy: 1.064418898692697
Energy: 1.0160388502120032
Energy: 1.0302731447942286
Energy: 1.0303655873120838
Energy: 1.014332902445918
Energy: 1.0332956390880432
Energy: 1.033294260263133
Energy: 1.0435131382793088
Energy: 1.0767950242208217
Energy: 1.0768291033032353
Energy: 1.0208824594398882
Energy: 1.0435325653072685
Energy: 1.0434578622030461
Energy: 1.0564541773753833
Energy: 1.0303972498819594
Energy: 1.0302882215639362
Energy: 1.0365391172976839
Energy: 1.0473346707489832
Energy: 1.0473375468163721
Energy: 1.0162635082830973
Energy: 1.1561189560642366
Energy: 1.1561222417649164
Energy: 1.1437771406593698
Energy: 1.0434946436057793
Energy: 1.0434545107759932
Energy: 1.025249062929913
Energy: 1.038158064597228
Energy: 1.038128069559791
   minimum gb energy = 1.014332902445918 eV
   minimum distance = 2.54854114749675 Angstroms
   sigma value = 157

========================================
theta = 58.10920819815429
========================================

Energy: 1.0516550670325062
Energy: 1.047287001848198
Energy: 1.0472809985253926
Energy: 1.0095775865648908
Energy: 1.0359557834603825
Energy: 1.0359687921445369
Energy: 1.01577630061695
Energy: 1.0358738269398167
Energy: 1.0358958230176074
Energy: 1.0095006415970376
Energy: 1.0581773259220522
Energy: 1.0581971548362725
Energy: 1.1678304099881633
Energy: 1.0282547679640053
Energy: 1.028436162332324
Energy: 1.0808385704393557
Energy: 1.0053445147554307
Energy: 1.0059673961037237
Energy: 1.0396223977587844
Energy: 1.0162595476921736
Energy: 1.0161603448933871
Energy: 1.0015410507932494
Energy: 1.0282483118731789
Energy: 1.0282525437869432
Energy: 1.0094997009669135
Energy: 1.0360797580554306
Energy: 1.035888883785813
Energy: 1.0221183985037274
Energy: 1.0436770959954953
Energy: 1.0441520280576508
   minimum gb energy = 1.0015410507932494 eV
   minimum distance = 2.52720019494085 Angstroms
   sigma value = 53

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

Energy: 1.031180658737983
Energy: 1.0251235210564202
Energy: 1.0250751622709167
Energy: 0.9967739892116392
Energy: 1.0103042916149139
Energy: 1.010409952581207
Energy: 0.9987740835321058
Energy: 1.0190721740992992
Energy: 1.0189875599959106
Energy: 1.0602436055931455
Energy: 0.9845456215488135
Energy: 0.9843438698396793
Energy: 0.9804879100088417
Energy: 1.0024068420680488
Energy: 1.0023378449803024
Energy: 1.0981220963641039
Energy: 1.0019756307254115
Energy: 1.0024613269779377
Energy: 0.9803816826416637
Energy: 1.00238760303828
Energy: 1.0023704881422115
Energy: 1.021309061417909
Energy: 1.0125523603937967
Energy: 1.0125431059095211
Energy: 0.9846960274218787
Energy: 1.086533081714626
Energy: 1.0864118858798884
Energy: 1.2352126396483145
Energy: 0.9956016675598737
Energy: 0.9956798757035615
   minimum gb energy = 0.9803816826416637 eV
   minimum distance = 2.54273375889691 Angstroms
   sigma value = 1

========================================
theta = 60.512874327058526
========================================

Energy: 1.0333842049234316
Energy: 0.9960477136466633
Energy: 0.9961816285475384
Energy: 0.9847755419987563
Energy: 1.0044766571538977
Energy: 1.0040015241721885
Energy: 0.9640569139160281
Energy: 1.0037660157361143
Energy: 1.0037730701254222
Energy: 0.9956141746484624
Energy: 0.9909507909450163
Energy: 0.9912166995070828
Energy: 1.0676209668877483
Energy: 0.9742105552900759
Energy: 0.9740687093941696
Energy: 0.9640075487076828
Energy: 1.0204996229792118
Energy: 1.0204311542479483
Energy: 1.1039068554384304
Energy: 0.9815705400907603
Energy: 0.981781428055714
Energy: 0.9639694981129407
Energy: 1.0223382532345247
Energy: 1.0222212694536945
Energy: 0.9568113588462037
Energy: 0.9956275735611856
Energy: 0.9956299687212229
Energy: 1.014231025324147
Energy: 0.9984599224116107
Energy: 0.9981271039510208
   minimum gb energy = 0.9568113588462037 eV
   minimum distance = 2.50872392870377 Angstroms
   sigma value = 3

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

Energy: 0.9914071377047953
Energy: 0.9389839764771019
Energy: 0.9389782195748447
Energy: 0.9173501125296345
Energy: 1.030878536112493
Energy: 1.0308774751281264
Energy: 0.9169618684346904
Energy: 1.0318838999189444
Energy: 1.031791080508589
Energy: 0.9169421787937553
Energy: 0.9390069915368404
Energy: 0.9389589323126439
Energy: 0.9913102816249932
Energy: 0.9823795011950853
Energy: 0.9823444237580289
Energy: 0.9394404705444152
Energy: 0.9389885720125215
Energy: 0.9389598850979719
Energy: 0.9522884336039591
Energy: 0.9390052904679429
Energy: 0.9391180306728831
Energy: 0.99132494121624
Energy: 0.9389795623112459
Energy: 0.9389465115040169
Energy: 0.9173712658774507
Energy: 1.0288867801828223
Energy: 1.02888460653875
Energy: 0.9169692483387542
Energy: 1.031903874253906
Energy: 1.0317120479038466
   minimum gb energy = 0.9169421787937553 eV
   minimum distance = 2.52027303924556 Angstroms
   sigma value = 17

========================================
theta = 63.2150044924978
========================================

Energy: 1.043810371510127
Energy: 0.95342286038161
Energy: 0.9534124990554818
Energy: 0.9261123396136519
Energy: 1.0825311295375437
Energy: 1.0825781637949055
Energy: 0.9246701214383186
Energy: 0.9609431473890703
Energy: 0.9612408779092537
Energy: 1.0604115605817879
Energy: 0.9528378121617536
Energy: 0.9528032248726057
Energy: 1.0929485842937483
Energy: 0.9316665292457805
Energy: 0.9316447979810469
Energy: 0.9323837350969171
Energy: 0.9743750533812868
Energy: 0.9744811651929334
Energy: 1.026869284896195
Energy: 0.9455475417106514
Energy: 0.9455774783811709
Energy: 0.9247345826425875
Energy: 0.9677337102815549
Energy: 0.9678668035863672
Energy: 0.9262188111527667
Energy: 0.9384719282954386
Energy: 0.9384123119804884
Energy: 0.9331294877656595
Energy: 0.955105698529409
Energy: 0.9549201583721043
   minimum gb energy = 0.9246701214383186 eV
   minimum distance = 2.51607884039398 Angstroms
   sigma value = 233

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

Energy: 0.9632444090339871
Energy: 0.9157242479852726
Energy: 0.9157139769783732
Energy: 0.9065926366272157
Energy: 0.9632560442461398
Energy: 0.9632632482380576
Energy: 0.9390717715321725
Energy: 0.9335425497870127
Energy: 0.9331502270941328
Energy: 0.927772592784839
Energy: 0.9222567340725256
Energy: 0.9220893040217465
Energy: 0.9156046428932683
Energy: 0.9500476788074602
Energy: 0.950260559774849
Energy: 0.928999264814796
Energy: 0.9390418149650929
Energy: 0.939095673853796
Energy: 0.9157062556791806
Energy: 0.9501063295851769
Energy: 0.9502349473689587
Energy: 1.1111997460650687
Energy: 0.9278649216560375
Energy: 0.9278642828709722
Energy: 0.9065745274804151
Energy: 0.9391065734387101
Energy: 0.938983023092096
Energy: 0.9064684804833527
Energy: 0.9157156797488809
Energy: 0.9156899040407697
   minimum gb energy = 0.9064684804833527 eV
   minimum distance = 2.52814450443396 Angstroms
   sigma value = 89

========================================
theta = 64.94238458169698
========================================

Energy: 1.0229460612906336
Energy: 0.9120827562590286
Energy: 0.9120197943598635
Energy: 0.9073497575713714
Energy: 0.9384458234257512
Energy: 0.9384874828233045
Energy: 0.9258761515738771
Energy: 0.9194357217630521
Energy: 0.9192897134346083
Energy: 0.8873931347609143
Energy: 0.9119612918771879
Energy: 0.9120661459418425
Energy: 0.9042349777204701
Energy: 0.9861524096954299
Energy: 0.9862183846667665
Energy: 1.0175899863065259
Energy: 0.9025573668046915
Energy: 0.9026200205607005
Energy: 0.9002144685371972
Energy: 0.90782675083958
Energy: 0.9078201051576588
Energy: 0.9272172531242707
Energy: 0.9126427648011395
Energy: 0.9125577031808182
Energy: 0.9003688038261884
Energy: 0.9078563609281299
Energy: 0.9080841978538053
Energy: 1.02207167020954
Energy: 0.9170449875494104
Energy: 0.9170446800250236
   minimum gb energy = 0.8873931347609143 eV
   minimum distance = 2.53313222515205 Angstroms
   sigma value = 85

========================================
theta = 65.4704525442152
========================================

Energy: 0.9940773556111726
Energy: 0.919741387365859
Energy: 0.9197664716601676
Energy: 0.8897149178610777
Energy: 0.9120007483768773
Energy: 0.9120585156758826
Energy: 0.8834081831532294
Energy: 0.91206944377577
Energy: 0.9119695390158188
Energy: 0.9157030849542575
Energy: 0.9045972309435052
Energy: 0.9047718193158802
Energy: 0.9017762185628883
Energy: 0.9052128544436463
Energy: 0.9051582695219861
Energy: 0.8860429885969825
Energy: 0.9140319266076331
Energy: 0.9141352713866178
Energy: 0.9098915848248763
Energy: 0.9710489499830068
Energy: 0.9710681176140997
Energy: 0.8949502193354258
Energy: 0.9319684967705456
Energy: 0.9319684333849297
Energy: 0.8785845723193687
Energy: 0.9297945707579295
Energy: 0.9297469370330985
Energy: 0.9933620229599608
Energy: 0.9025945484738923
Energy: 0.9026110241414057
   minimum gb energy = 0.8785845723193687 eV
   minimum distance = 2.52944063939962 Angstroms
   sigma value = 69

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

Energy: 0.8537416756469142
Energy: 0.8537408991544628
Energy: 0.8537410445430492
Energy: 0.8853606166309702
Energy: 0.8537408315395476
Energy: 0.8537413756108745
Energy: 0.8363385583652556
Energy: 0.8853606088655733
Energy: 0.8853606063665802
Energy: 0.8537418274253145
Energy: 0.8853606169469239
Energy: 0.8853606068927764
Energy: 0.8537410437106054
Energy: 0.8853606140509735
Energy: 0.8853606088897534
Energy: 0.8363375319665229
Energy: 0.8581343508612527
Energy: 0.8581349051412174
Energy: 0.8537407715381322
Energy: 0.8537413626938238
Energy: 0.8537405891616628
Energy: 0.853743601360535
Energy: 1.0003632297306897
Energy: 1.0003688516567797
Energy: 0.8537408565442022
Energy: 0.885360604700326
Energy: 0.8853606082593366
Energy: 0.8537411610443761
Energy: 0.8853606391913897
Energy: 0.8853607236837029
   minimum gb energy = 0.8363375319665229 eV
   minimum distance = 2.54801090591317 Angstroms
   sigma value = 13

========================================
theta = 69.39030706246794
========================================

Energy: 1.0651942487065746
Energy: 0.8614370989972909
Energy: 0.8614496017239155
Energy: 0.8119050446752325
Energy: 0.8562354319691331
Energy: 0.8562669058139324
Energy: 0.8397661253205283
Energy: 1.0057731173014517
Energy: 1.0057731786070474
Energy: 0.8118655228477438
Energy: 0.8316825902116535
Energy: 0.8316917716861868
Energy: 0.8214886716193626
Energy: 0.8371081868200896
Energy: 0.8371250712804459
Energy: 0.8118538336926876
Energy: 0.8316597428181483
Energy: 0.8316738476072107
Energy: 0.805668170057073
Energy: 0.8316821987882552
Energy: 0.8316872738992855
Energy: 0.8416456821846816
Energy: 0.8186419335159865
Energy: 0.8186457112275751
Energy: 0.9380550404985676
Energy: 0.8316910052071202
Energy: 0.8316766340152931
Energy: 0.9562718158928388
Energy: 0.8213907858751867
Energy: 0.8214051694285538
   minimum gb energy = 0.805668170057073 eV
   minimum distance = 2.54127912675542 Angstroms
   sigma value = 125

========================================
theta = 69.98404039711733
========================================

Energy: 0.8600392995626113
Energy: 1.1598425578244063
Energy: 1.1598407147191685
Energy: 0.794669282682133
Energy: 0.8388058503757794
Energy: 0.8388058088218229
Energy: 0.8215640687276379
Energy: 0.8248790914168775
Energy: 0.8248793604273726
Energy: 0.7963419951172028
Energy: 0.9059797287788258
Energy: 0.9059871149313463
Energy: 0.939580849680723
Energy: 0.8112808413372978
Energy: 0.8113226426235683
Energy: 0.8215707433086845
Energy: 0.8295449528258947
Energy: 0.8295450324194152
Energy: 0.7963639742147824
Energy: 0.811280903197351
Energy: 0.8112869982966435
Energy: 0.9594718726700849
Energy: 0.8160459082522563
Energy: 0.8160813401409851
Energy: 0.8127937490884592
Energy: 1.010239331237463
Energy: 1.0102378640501868
Energy: 0.7963438213556722
Energy: 0.8388058079430322
Energy: 0.8388058562619201
   minimum gb energy = 0.794669282682133 eV
   minimum distance = 2.53816868618785 Angstroms
   sigma value = 37

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

Energy: 0.9171777552580311
Energy: 0.9489065074637822
Energy: 0.9489065370358705
Energy: 0.7635704504084547
Energy: 0.794950215713578
Energy: 0.794950973993126
Energy: 0.757944194646466
Energy: 0.7975023410231097
Energy: 0.7974989442869003
Energy: 0.7915878292355274
Energy: 0.7915871688072088
Energy: 0.7915868898735304
Energy: 0.8777228610337355
Energy: 0.7975029498895324
Energy: 0.7974955333246124
Energy: 0.7637014714505685
Energy: 0.7974997256939178
Energy: 0.7974984366634743
Energy: 0.7831215785192345
Energy: 0.8496850329525383
Energy: 0.8496866586695275
Energy: 1.0805631155226316
Energy: 0.7989442738768795
Energy: 0.7989442978946915
Energy: 0.8777401989819684
Energy: 0.7883381945325125
Energy: 0.7883451778233104
Energy: 0.7831163962588761
Energy: 0.8405149711246613
Energy: 0.8405146125513606
   minimum gb energy = 0.757944194646466 eV
   minimum distance = 2.55534567734471 Angstroms
   sigma value = 37

========================================
theta = 72.05474677020722
========================================

Energy: 1.0431105255791102
Energy: 1.1069598835561028
Energy: 1.1069257462223439
Energy: 0.7369300471131469
Energy: 0.7790434042222163
Energy: 0.7790445905029639
Energy: 0.7564636154008102
Energy: 0.7707905514132589
Energy: 0.7707903276313486
Energy: 0.7575981224956992
Energy: 0.7815632039159228
Energy: 0.7815621079988299
Energy: 0.744933192049476
Energy: 0.7707895742471298
Energy: 0.7707899815739994
Energy: 1.014637167920114
Energy: 0.7827383564125685
Energy: 0.7827273994097682
Energy: 0.7564578981384074
Energy: 0.7845098847025189
Energy: 0.7845100649848267
Energy: 1.0640849858783255
Energy: 0.7610288037854301
Energy: 0.7610267299584312
Energy: 0.7564800953008897
Energy: 0.7949342166945542
Energy: 0.7949328963238005
Energy: 0.756465900541581
Energy: 0.83032270676153
Energy: 0.8303221340836745
   minimum gb energy = 0.7369300471131469 eV
   minimum distance = 2.54713377676243 Angstroms
   sigma value = 185

========================================
theta = 72.50767547488958
========================================

Energy: 0.9646316540822752
Energy: 0.7499002858080261
Energy: 0.7499015498201428
Energy: 0.7326685625234581
Energy: 0.7669114238084367
Energy: 0.7669205755659835
Energy: 0.9378417458556266
Energy: 0.7653498507784963
Energy: 0.7653579264003614
Energy: 0.7493853034291147
Energy: 0.9219165716930843
Energy: 0.9219172061019191
Energy: 0.7431470439522095
Energy: 0.7498587319367335
Energy: 0.74985323318035
Energy: 0.7493933775290084
Energy: 0.7574482009336501
Energy: 0.757446610940096
Energy: 0.7426957733208434
Energy: 0.757444870610716
Energy: 0.7574461907479914
Energy: 0.9406340464541777
Energy: 0.7579665875325624
Energy: 0.7579670930344014
Energy: 0.7497543528682472
Energy: 0.7579567469419939
Energy: 0.7579572635692043
Energy: 0.9378507603263512
Energy: 0.7653495742216414
Energy: 0.765353644554229
   minimum gb energy = 0.7326685625234581 eV
   minimum distance = 2.53481676752264 Angstroms
   sigma value = 173

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

Energy: 0.9291814081484712
Energy: 0.7113264210195284
Energy: 0.7113301130814014
Energy: 0.7363821759527591
Energy: 0.8612147910592199
Energy: 0.861215911457599
Energy: 0.7121473283963826
Energy: 0.8012701544056877
Energy: 0.8012701496498918
Energy: 0.7208938460272472
Energy: 0.8289123662191445
Energy: 0.828922431941671
Energy: 0.6996509421956477
Energy: 0.8177411803691639
Energy: 0.8177414822104871
Energy: 0.720894710390023
Energy: 0.7472771735892133
Energy: 0.7472765114025983
Energy: 0.8814083645380699
Energy: 0.8296864851271538
Energy: 0.829684583285368
Energy: 0.9291835656860247
Energy: 0.7472767735258139
Energy: 0.7472766183778006
Energy: 0.8814078387865115
Energy: 0.747283369338395
Energy: 0.7472765241707936
Energy: 0.7121473595455604
Energy: 0.7472765266343951
Energy: 0.7472765400143081
   minimum gb energy = 0.6996509421956477 eV
   minimum distance = 2.55825321631953 Angstroms
   sigma value = 25

========================================
theta = 75.13718405765499
========================================

Energy: 0.929309234426001
Energy: 0.6915978621373148
Energy: 0.6915976550028652
Energy: 0.6765728379293924
Energy: 0.7065892688167453
Energy: 0.7066014482953681
Energy: 0.6908876014500779
Energy: 0.6915867678931273
Energy: 0.6915869406922184
Energy: 0.6652369670524618
Energy: 0.6915242006889213
Energy: 0.6915242686707783
Energy: 0.6818151547300062
Energy: 0.7143553761913654
Energy: 0.7143825268243488
Energy: 0.7065990664615216
Energy: 0.6915246671179404
Energy: 0.6915241054073248
Energy: 0.6652294587869321
Energy: 0.7036109103650982
Energy: 0.7036041300309662
Energy: 0.9459696817736066
Energy: 0.6863038677951002
Energy: 0.6863034558444598
Energy: 0.6724821822555237
Energy: 0.6988079303648583
Energy: 0.6988108178828505
Energy: 0.6812550436967852
Energy: 0.8550741851729572
Energy: 0.8550645012852444
   minimum gb energy = 0.6652294587869321 eV
   minimum distance = 2.53165659549706 Angstroms
   sigma value = 269

========================================
theta = 75.74996730219641
========================================

Energy: 1.0059446328708066
Energy: 0.6786212396720609
Energy: 0.6786219736409863
Energy: 0.6590038298286082
Energy: 0.7066009870351839
Energy: 0.7066140256883091
Energy: 0.6328979148468675
Energy: 0.6792063333258013
Energy: 0.6792049871729664
Energy: 0.6817062094815524
Energy: 0.6921627574953382
Energy: 0.6921523419459428
Energy: 0.6817063282794706
Energy: 0.6925343452071725
Energy: 0.6925570150054489
Energy: 0.6590067739566958
Energy: 0.7066149587648257
Energy: 0.7066074483554553
Energy: 0.6434023663806216
Energy: 0.6633414429412544
Energy: 0.6633415142369501
Energy: 0.9938219930592461
Energy: 0.6921803149426099
Energy: 0.6921495563801005
Energy: 0.6594009067409345
Energy: 0.7773803529484262
Energy: 0.7773804877345047
Energy: 0.6590057703827885
Energy: 0.7066076364287422
Energy: 0.7066098777369849
   minimum gb energy = 0.6328979148468675 eV
   minimum distance = 2.55347331866396 Angstroms
   sigma value = 65

========================================
theta = 76.31445317473812
========================================

Energy: 1.0590557673543406
Energy: 0.6535679954850269
Energy: 0.6535679552335802
Energy: 0.6244995251633811
Energy: 0.6631251181383305
Energy: 0.6631212489943182
Energy: 0.6556709305825336
Energy: 0.8754902489215659
Energy: 0.875471930080652
Energy: 0.6405407907484952
Energy: 0.6450424258425147
Energy: 0.6450456620806794
Energy: 0.6450496005258013
Energy: 0.8162630305322883
Energy: 0.8162454167384853
Energy: 0.8554270487997824
Energy: 0.6490174085847421
Energy: 0.6490176892162998
Energy: 0.6450512347163304
Energy: 0.8129282737237616
Energy: 0.8129356001632339
Energy: 1.0807766543669155
Energy: 0.6490175701150489
Energy: 0.6490172180056025
Energy: 0.6450508552870207
Energy: 0.663563292822142
Energy: 0.663562492656167
Energy: 0.8386062523737227
Energy: 0.6490167453332275
Energy: 0.6490176803088394
   minimum gb energy = 0.6244995251633811 eV
   minimum distance = 2.54823657505594 Angstroms
   sigma value = 79

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

Energy: 0.6614827152862407
Energy: 0.6241534156168629
Energy: 0.6241534534034708
Energy: 0.6228878908826228
Energy: 0.6410123987562866
Energy: 0.6410111068502211
Energy: 0.61177584795289
Energy: 0.6241534656213402
Energy: 0.6241535311096797
Energy: 0.6228881339338104
Energy: 0.6614818590134841
Energy: 0.6614838045583636
Energy: 0.6241534452500223
Energy: 0.6880038089286773
Energy: 0.6880037302132933
Energy: 0.5983989747190942
Energy: 0.6228881940208727
Energy: 0.6228879760169239
Energy: 0.624153464409865
Energy: 0.6241533745757873
Energy: 0.6241534225780574
Energy: 0.661494491061246
Energy: 0.6614388306342196
Energy: 0.6614374138381103
Energy: 0.6228873412394955
Energy: 0.6241533808754792
Energy: 0.6241534086602682
Energy: 0.5983905399268837
Energy: 0.6228880014464468
Energy: 0.6228882880831943
   minimum gb energy = 0.5983905399268837 eV
   minimum distance = 2.55545570192154 Angstroms
   sigma value = 41

========================================
theta = 78.57881372500071
========================================

Energy: 0.8716812444104537
Energy: 0.6017284530027746
Energy: 0.601738483561087
Energy: 0.5677072077841071
Energy: 0.6085659134356928
Energy: 0.6085900439464552
Energy: 0.5603706680842747
Energy: 0.6085940476684185
Energy: 0.6085941456740547
Energy: 0.8323814072782563
Energy: 0.6010170120897977
Energy: 0.6010317709168571
Energy: 0.8357488128108337
Energy: 0.6010131593256209
Energy: 0.6010305147701148
Energy: 0.5866331127200433
Energy: 0.6014950057000459
Energy: 0.6015295731206575
Energy: 0.5808875841675464
Energy: 0.6678441499284898
Energy: 0.6677460124668441
Energy: 1.0843898806452354
Energy: 0.6087825326558848
Energy: 0.6087943361141358
Energy: 0.5697860041250451
Energy: 0.5790861879989847
Energy: 0.5790861664442891
Energy: 0.5603780205043377
Energy: 0.5942480415624879
Energy: 0.5942563157215991
   minimum gb energy = 0.5603706680842747 eV
   minimum distance = 2.55257277580902 Angstroms
   sigma value = 101

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

Energy: 1.0107457737280108
Energy: 0.5417131585504125
Energy: 0.5417131760082656
Energy: 0.5536454389169807
Energy: 0.5515860071563254
Energy: 0.5515866294975064
Energy: 0.5408147867137649
Energy: 0.6176188745981446
Energy: 0.6176308528999734
Energy: 0.532332721569806
Energy: 0.5638574782346755
Energy: 0.5638753629961822
Energy: 0.5408148610200978
Energy: 0.5638530070094565
Energy: 0.563883325871776
Energy: 0.540814842837005
Energy: 0.5638595180579212
Energy: 0.5638574704900988
Energy: 0.5408147975319348
Energy: 0.5638679804143979
Energy: 0.563864180191548
Energy: 1.0046562761609101
Energy: 0.5638587750869337
Energy: 0.5638578982936923
Energy: 0.9873799419848847
Energy: 0.5638681048392516
Energy: 0.563858803482138
Energy: 0.5414934511793383
Energy: 0.5842863681135292
Energy: 0.5842992164717585
   minimum gb energy = 0.532332721569806 eV
   minimum distance = 2.56164661433263 Angstroms
   sigma value = 15

========================================
theta = 80.47271661854764
========================================

Energy: 0.9628698406133414
Energy: 0.5291871811768907
Energy: 0.5291827067011826
Energy: 0.7134081682581819
Energy: 0.5403570785671752
Energy: 0.5403932487649127
Energy: 0.5103677603669737
Energy: 0.5403836551062362
Energy: 0.5403710950092439
Energy: 0.5287486583062295
Energy: 0.5404127447477004
Energy: 0.540365462883314
Energy: 0.9380574189271256
Energy: 0.5234746026992688
Energy: 0.5234734831942254
Energy: 0.5183059876243071
Energy: 0.5838130272611356
Energy: 0.583822922210412
Energy: 0.5029750897432229
Energy: 0.5404194351207076
Energy: 0.5403751888190677
Energy: 0.7448138027203504
Energy: 0.539612513923541
Energy: 0.5395715269209119
Energy: 0.518307125501164
Energy: 0.5891174405822636
Energy: 0.5890790380901648
Energy: 0.49608705440183243
Energy: 0.5403737158918247
Energy: 0.540372015397291
   minimum gb energy = 0.49608705440183243 eV
   minimum distance = 2.55528388037801 Angstroms
   sigma value = 145

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

Energy: 0.8994461645139079
Energy: 0.5017229444949377
Energy: 0.5017176249703995
Energy: 0.49698857438035177
Energy: 0.5164138842026376
Energy: 0.5164057254241574
Energy: 0.48221065925495654
Energy: 0.49698361769719235
Energy: 0.4969869585613164
Energy: 0.4695583415596907
Energy: 0.49741591791417084
Energy: 0.49741595105914405
Energy: 0.48221050168013285
Energy: 0.4969802704149987
Energy: 0.4969888428090069
Energy: 0.48221053228703026
Energy: 0.5164187291019172
Energy: 0.5163997738191579
Energy: 0.4969854704517142
Energy: 0.5062406306718581
Energy: 0.5062356527615992
Energy: 0.895745757716116
Energy: 0.5164389483815949
Energy: 0.5164426717553876
Energy: 0.7399331657500462
Energy: 0.5062537348155732
Energy: 0.5062450710746668
Energy: 0.479483993609189
Energy: 0.4822104712089141
Energy: 0.48221087151871145
   minimum gb energy = 0.4695583415596907 eV
   minimum distance = 2.55303593580232 Angstroms
   sigma value = 85

========================================
theta = 81.82876644005026
========================================

Energy: 0.6345443233795919
Energy: 0.48228156054371063
Energy: 0.4822854283178302
Energy: 0.4664795176198736
Energy: 0.4876089928816612
Energy: 0.4875482825008634
Energy: 0.46468585546119306
Energy: 0.4853212795709284
Energy: 0.4853467080997325
Energy: 0.7045809100979374
Energy: 0.4969594231597848
Energy: 0.4969470321872444
Energy: 0.7045844430422623
Energy: 0.4872020868541804
Energy: 0.4872048152412713
Energy: 0.46216299015078455
Energy: 0.4872020883871313
Energy: 0.487202699431977
Energy: 0.5067389325031867
Energy: 0.48720505901132977
Energy: 0.48718067281256083
Energy: 0.4898013902087956
Energy: 0.4830580871368036
Energy: 0.48309488379302673
Energy: 0.6790277382958639
Energy: 0.4792183641281637
Energy: 0.4792173148239784
Energy: 0.4513486208589368
Energy: 0.48966697103317813
Energy: 0.4896518765461304
   minimum gb energy = 0.4513486208589368 eV
   minimum distance = 2.55700940149906 Angstroms
   sigma value = 197

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

Energy: 0.8372575813363878
Energy: 0.4616574211420806
Energy: 0.461656739699859
Energy: 0.4819986673920952
Energy: 0.4827517262381421
Energy: 0.4827538445401773
Energy: 0.4317189690800007
Energy: 0.5117279144110034
Energy: 0.5117654142799788
Energy: 0.4317190676598896
Energy: 0.48199377551129124
Energy: 0.4819972455918267
Energy: 0.6276304900262397
Energy: 0.4827421194486555
Energy: 0.48274746147766595
Energy: 0.4317190232592106
Energy: 0.48200305220305073
Energy: 0.48199419604313054
Energy: 0.7857133439485576
Energy: 0.4967818332623331
Energy: 0.496788181111017
Energy: 0.831599317860407
Energy: 0.48199333517267223
Energy: 0.48199735026353396
Energy: 0.48199453114893526
Energy: 0.4547271761354398
Energy: 0.4547272110749818
Energy: 0.4552890185125869
Energy: 0.482736492305511
Energy: 0.48275917048799405
   minimum gb energy = 0.4317189690800007 eV
   minimum distance = 2.56708850622866 Angstroms
   sigma value = 113

========================================
theta = 83.2670786731404
========================================

Energy: 0.6120708815484484
Energy: 0.44194042556944074
Energy: 0.4419400188275805
Energy: 0.4106213820886598
Energy: 0.4309915523539465
Energy: 0.43099330212193043
Energy: 0.4106213048896296
Energy: 0.45358046134324326
Energy: 0.45356658650544407
Energy: 0.4106210780919406
Energy: 0.4535598857959821
Energy: 0.4535719951259356
Energy: 0.3941706132160046
Energy: 0.4536199496640125
Energy: 0.4535853396339736
Energy: 0.4213941432049052
Energy: 0.4314544220808993
Energy: 0.43146234923833837
Energy: 0.8916833443380225
Energy: 0.4421795462049562
Energy: 0.44219617718735443
Energy: 0.4535966904805539
Energy: 0.4535609666610642
Energy: 0.45356079619875783
Energy: 0.7235634180372694
Energy: 0.4535677005624004
Energy: 0.45356033943839963
Energy: 0.5876387155037937
Energy: 0.43099219582323045
Energy: 0.43099191861151387
   minimum gb energy = 0.3941706132160046 eV
   minimum distance = 2.56440058536405 Angstroms
   sigma value = 145

========================================
theta = 83.97442499163331
========================================

Energy: 0.42970239807870486
Energy: 0.4619290131802103
Energy: 0.4619493004420147
Energy: 0.8233702588201997
Energy: 0.4092134713350901
Energy: 0.4092182890076301
Energy: 0.3761848763800089
Energy: 0.40921552286516666
Energy: 0.4092301632177471
Energy: 0.39204530281639255
Energy: 0.409618594983797
Energy: 0.4096008053765396
Energy: 0.37618459003783605
Energy: 0.4281026479793974
Energy: 0.4280993927345993
Energy: 0.5381843323324388
Energy: 0.4092250781653716
Energy: 0.40923596530344025
Energy: 0.40921657275242784
Energy: 0.4092163911102341
Energy: 0.40923125572411134
Energy: 0.42809867180754857
Energy: 0.418587801884204
Energy: 0.41861498791298113
Energy: 0.38372226954709554
Energy: 0.3917234998320033
Energy: 0.3917244152843886
Energy: 0.3917213898065654
Energy: 0.4281188984557853
Energy: 0.4281014534989403
   minimum gb energy = 0.37618459003783605 eV
   minimum distance = 2.56490162050016 Angstroms
   sigma value = 181

========================================
theta = 84.54737801218748
========================================

Energy: 0.4113688545386979
Energy: 0.38756815023552027
Energy: 0.38757834855014495
Energy: 0.5585816358397456
Energy: 0.3973552757599317
Energy: 0.39741959238897984
Energy: 0.3642553153065694
Energy: 0.43185612887369207
Energy: 0.43186559375444394
Energy: 0.36059125062776926
Energy: 0.38182468449705115
Energy: 0.3818375121206312
Energy: 0.36058976217337924
Energy: 0.3893953423813474
Energy: 0.3894304256741963
Energy: 0.3641493043492084
Energy: 0.39736414022246874
Energy: 0.39736660783418515
Energy: 0.5585603775732345
Energy: 0.38938982688520973
Energy: 0.3895037534700327
Energy: 0.40181480261040753
Energy: 0.38941473733599186
Energy: 0.3894186743518952
Energy: 0.5585818180147928
Energy: 0.3894340977031067
Energy: 0.3894369476260511
Energy: 0.4128418396375051
Energy: 0.3893987814342172
Energy: 0.38942350243910356
   minimum gb energy = 0.36058976217337924 eV
   minimum distance = 2.56298520649064 Angstroms
   sigma value = 55

========================================
theta = 85.02089415600169
========================================

Energy: 0.3863314549430593
Energy: 0.36175063577819494
Energy: 0.36174656954332923
Energy: 0.5787493720217961
Energy: 0.36491661462501823
Energy: 0.36491035504845576
Energy: 0.5609610756938896
Energy: 0.34636619657031453
Energy: 0.3463581579740157
Energy: 0.32576098761996775
Energy: 0.3714525013966689
Energy: 0.37143154305197545
Energy: 0.346550886367106
Energy: 0.35868359321448967
Energy: 0.35869036924433556
Energy: 0.33530703517719357
Energy: 0.35849536069684235
Energy: 0.3584826556003586
Energy: 0.3397343861242574
Energy: 0.34072496074920394
Energy: 0.34072644263539653
Energy: 0.37142913206248546
Energy: 0.3714533423786788
Energy: 0.3714408247846521
Energy: 0.5803319455743168
Energy: 0.3995381220899058
Energy: 0.39958414893819294
Energy: 0.3353072243173655
Energy: 0.37144105309451564
Energy: 0.37143104755787165
   minimum gb energy = 0.32576098761996775 eV
   minimum distance = 2.56240435993757 Angstroms
   sigma value = 265

========================================
theta = 85.41877991472295
========================================

Energy: 0.35674820717905786
Energy: 0.34051729953222815
Energy: 0.3405108469232494
Energy: 0.32423647218525803
Energy: 0.328247984722566
Energy: 0.32824610735785525
Energy: 0.3234824921468588
Energy: 0.3385411462571489
Energy: 0.3385614499904011
Energy: 0.3008089635707257
Energy: 0.3439170996650142
Energy: 0.3439243068744755
Energy: 0.3233475720119645
Energy: 0.3385606423352593
Energy: 0.33855480366777907
Energy: 0.3144840576146905
Energy: 0.3439150126306828
Energy: 0.3439128588682689
Energy: 0.5375664547957175
Energy: 0.3495519893001941
Energy: 0.34954158663962726
Energy: 0.3554417573904985
Energy: 0.3439184255040415
Energy: 0.3439167912517744
Energy: 0.33326914278258063
Energy: 0.34960972222836284
Energy: 0.349540085538425
Energy: 0.31875043115053414
Energy: 0.3439263751558337
Energy: 0.3439138061080626
   minimum gb energy = 0.3008089635707257 eV
   minimum distance = 2.56118131453198 Angstroms
   sigma value = 39

========================================
theta = 85.7578072066771
========================================

Energy: 0.34464033015366996
Energy: 0.33021358192046557
Energy: 0.3302547098427475
Energy: 0.46563687028986567
Energy: 0.3258906978189113
Energy: 0.3258875370059454
Energy: 0.4089996796974943
Energy: 0.32121030844518966
Energy: 0.3212153718561453
Energy: 0.3334799775663053
Energy: 0.3236387192646508
Energy: 0.3236358518267714
Energy: 0.2967443035657304
Energy: 0.33063103055674825
Energy: 0.3306328991771438
Energy: 0.3062768393296822
Energy: 0.3954213535735324
Energy: 0.3954115694749978
Energy: 0.4656479177438701
Energy: 0.32121280929187823
Energy: 0.32124286537778096
Energy: 0.3331491856111517
Energy: 0.32120258545817015
Energy: 0.3212180209681032
Energy: 0.3168998152523577
Energy: 0.30817092604637036
Energy: 0.3081720212038104
Energy: 0.4429070365638564
Energy: 0.3212173163892932
Energy: 0.32122635087514856
   minimum gb energy = 0.2967443035657304 eV
   minimum distance = 2.56077260185921 Angstroms
   sigma value = 91

========================================
theta = 86.05013197823605
========================================

Energy: 0.32824436758077924
Energy: 0.3083502600412462
Energy: 0.30835502172678925
Energy: 0.48686200321887896
Energy: 0.31011778144012225
Energy: 0.3101101182364315
Energy: 0.28783527278320076
Energy: 0.3142659408265481
Energy: 0.31426946081473084
Energy: 0.2817113390188591
Energy: 0.318462916263219
Energy: 0.31847378613932564
Energy: 0.27657445436081995
Energy: 0.3101120341836371
Energy: 0.31011963238487
Energy: 0.36689411425328095
Energy: 0.29481105950396325
Energy: 0.2948110735053396
Energy: 0.2947198405516891
Energy: 0.3021743620356762
Energy: 0.30218200114233906
Energy: 0.31847626894716796
Energy: 0.31428207201675434
Energy: 0.314251819642659
Energy: 0.3021844230816767
Energy: 0.31850355995231483
Energy: 0.31848683107540693
Energy: 0.2947191289114834
Energy: 0.5533928743632328
Energy: 0.5533531400153483
   minimum gb energy = 0.27657445436081995 eV
   minimum distance = 2.52843088088473 Angstroms
   sigma value = 105

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

Energy: 0.010250856611734182
Energy: 0.010250856610348412
Energy: 0.010250856598846536
Energy: 0.010250856597104428
Energy: 0.16876966615351674
Energy: 0.16876966615282385
Energy: 0.010250856602687094
Energy: 0.16876966615213096
Energy: 0.1687696661524675
Energy: 0.010250856603379977
Energy: 0.16876966615316039
Energy: 0.16876966615282385
Energy: 0.010250856604765747
Energy: 0.16876966615387307
Energy: 0.16876966615108174
Energy: 0.010250856603023639
Energy: 0.16876966615561517
Energy: 0.16876966615456596
Energy: 0.010250856607557077
Energy: 0.1687696661566446
Energy: 0.16876966615387307
Energy: 0.010250856600944984
Energy: 0.010250856602330752
Energy: 0.010250856600232304
Energy: 0.010250856603379977
Energy: 0.1687696661507254
Energy: 0.16876966615525882
Energy: 0.010250856598490196
Energy: 0.1687696661514381
Energy: 0.16876966615316039
   minimum gb energy = 0.010250856597104428 eV
   minimum distance = 2.83525973832013 Angstroms
   sigma value = 1