Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ni__MO_381861218831_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5226424932479863
cohesive_energy=4.240930290808195
mass=58.6934
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=[2.02511922184332e-19, 2.80106938745586e-19, 3.3932979584476197e-19, 3.8767227142244395e-19, 4.2848451682032596e-19, 4.63586604694632e-19, 4.941481239881819e-19, 5.20942926015198e-19, 5.445590096003579e-19, 5.65409736315234e-19, 5.8382675672306395e-19, 6.00084043028262e-19, 6.1438667383998e-19, 6.26912490764592e-19, 6.378361310552039e-19, 6.472697470761959e-19, 6.55312673778876e-19, 6.620610417612839e-19, 6.675965620317539e-19, 6.7199293471545e-19, 6.75315849054366e-19, 6.77622983407326e-19, 6.789752204864219e-19, 6.794190234140399e-19, 6.78939972600474e-19, 6.77393872148664e-19, 6.74582052155994e-19, 6.702770035404359e-19, 6.641983453910399e-19, 6.560080184380319e-19, 6.453134894060819e-19, 6.316212878919179e-19, 6.14319382421352e-19, 5.92675578272646e-19, 5.65763817351348e-19, 5.32436941187514e-19, 4.91273819106786e-19, 4.40401506624018e-19, 3.77458395380694e-19, 2.993667040629e-19, 2.0207773231651798e-19, 8.016618962349719e-20, -7.37084564824968e-20, -2.69723231980632e-19, -5.22184612906548e-19, -8.518180357623419e-19, -1.2893228070320878e-18, -1.88206087019346e-18, -2.7055956818357997e-18, -3.88643190462648e-18, -5.650027834501979e-18, -8.43002859922074e-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: 0.01722430313630934
Energy: 0.017713629966813808
Energy: 1.6076027709795997
Energy: 0.19286944315178667
Energy: 0.017713629966813808
Energy: 1.8118780280615012
Energy: 0.19286944315178667
Energy: 1.8118780280627855
Energy: 1.6076027709815446
Energy: 0.1928694431524472
Energy: 0.0172243031356855
Energy: 0.017713629965529432
Energy: 0.19286944315112614
Energy: 1.8118780280692444
Energy: 0.017713629966813808
Energy: 1.8118780280685836

minimum gb energy = 0.0172243031356855 eV
minimum distance =  2.4119766673788 Angstroms
sigma value = 1


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

Energy: 2.8621253711502175
Energy: 1.6048059553730165
Energy: 1.696665856867442
Energy: 1.6959721825431864
Energy: 1.7695435557393122
Energy: 1.761585839158374
Energy: 1.68753771753057
Energy: 1.761585839155971
Energy: 1.6884336609820705
Energy: 1.6884952898718228
Energy: 1.6951270717830764
Energy: 1.6884952898750274
Energy: 1.6846486058789494
Energy: 1.7045932249294184
Energy: 1.68743850072225
Energy: 1.704593224923811
Energy: 1.7770549921418213
Energy: 1.704636511331002
Energy: 1.6885854098496904
Energy: 1.7046365113318032
Energy: 1.683831233614857
Energy: 1.9025662150275284
Energy: 1.6941364537375856
Energy: 1.9025662150251255
Energy: 1.6841174470324085
Energy: 1.885180090689895
Energy: 1.7774476488015396
Energy: 1.8851800906858893
Energy: 1.7817516186576694
Energy: 1.9739327966100622
Energy: 1.696153035567812
Energy: 1.9739327966140678
Energy: 1.687289979717892
Energy: 1.9723374087601462
Energy: 1.6866251507644052
Energy: 1.972337408759345
Energy: 1.7814173163377482
Energy: 1.8137618941134768
Energy: 1.7827339575867969
Energy: 1.8137618941158802
Energy: 1.770642537552982
Energy: 1.9716085527763385
Energy: 1.6875374322655996
Energy: 1.9716085527779408
Energy: 1.7803722327140226
Energy: 1.9692153758665567
Energy: 1.6959468637284902
Energy: 1.9692153758641535
Energy: 1.6837251876635133
Energy: 1.900541724623572
Energy: 1.7769323362032274
Energy: 1.9005417246187655
Energy: 1.6836352173826004
Energy: 1.8888209924752113
Energy: 1.7732271538830737
Energy: 1.8888209924696036
Energy: 1.77775181200354
Energy: 1.7049730335690967
Energy: 1.6878705892776882
Energy: 1.7049730335674944
Energy: 1.5976241022676965
Energy: 1.7109902855859283
Energy: 1.6874857546375395
Energy: 1.7109902855875305
Energy: 1.688505663773829
Energy: 1.6868086001612124
Energy: 1.5969616780866969
Energy: 1.6868086001580085
Energy: 1.6873707257912451
Energy: 1.6909483327922266
Energy: 1.7749020162948517
Energy: 1.690948332789022
Energy: 1.694716796343031
Energy: 1.6934048436653841
Energy: 1.6937567025513003
Energy: 1.6934048436653841
Energy: 1.692796469419593
Energy: 1.6908760345213316
Energy: 1.6843890454470323
Energy: 1.6908760345221328
Energy: 1.6899884482539902
Energy: 1.6891077880246443
Energy: 1.777433192978558
Energy: 1.6891077880270473
Energy: 1.6868240131268888
Energy: 1.6892395239646474
Energy: 1.6839041466705735
Energy: 1.6892395239582387
Energy: 1.7774154840420862
Energy: 1.8871582247100962
Energy: 1.6835385966453262
Energy: 1.8871582247124996
Energy: 1.6953634545691671
Energy: 1.8805426559386358
Energy: 1.6851529906746692
Energy: 1.8805426559378347
Energy: 1.6863314534120066
Energy: 1.9725402067280446
Energy: 1.6878691110434851
Energy: 1.9725402067232383
Energy: 1.7838452717422428
Energy: 1.9692696600063908
Energy: 1.7837437328367276
Energy: 1.9692696600103965
Energy: 1.6869644700262367
Energy: 1.9715181969395252
Energy: 1.770757024225674
Energy: 1.9715181969411273
Energy: 1.696781184281286
Energy: 1.9697786206596701
Energy: 1.7763117232300294
Energy: 1.969778620658068
Energy: 1.777221686858895
Energy: 1.8995028832571115
Energy: 1.6837059607061367
Energy: 1.8995028832579126
Energy: 1.7785957127892806
Energy: 1.8847744490107947
Energy: 1.683794420013463
Energy: 1.8847744490091924
Energy: 1.7029518411063622
Energy: 1.6915849164337977
Energy: 1.7781392724997043
Energy: 1.6915849164313945
Energy: 1.687163593345105
Energy: 1.6952042862216037
Energy: 1.5971126907834357
Energy: 1.6952042862183994
Energy: 1.5968293871357258
Energy: 1.686409490294612
Energy: 1.6865535663306344
Energy: 1.68640949029301

minimum gb energy = 1.5968293871357258 eV
minimum distance =  2.23771394169544 Angstroms
sigma value = 1


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

Energy: 2.0244849905323377
Energy: 1.7136982443934161
Energy: 1.8194714546629907
Energy: 1.8167527599211575
Energy: 1.907125194138201
Energy: 1.8836279406142749
Energy: 1.8145355167424821
Energy: 1.8836279406106213
Energy: 1.8089948710024744
Energy: 1.80872039027787
Energy: 1.8166808138866957
Energy: 1.8087203902796967
Energy: 1.8073281701505917
Energy: 1.8082745630355712
Energy: 1.8152733157889165
Energy: 1.8082745630373978
Energy: 1.816316493926914
Energy: 1.8130464047145614
Energy: 1.8102610037795743
Energy: 1.813046404706341
Energy: 1.8070707127451968
Energy: 2.0557178306058006
Energy: 1.8158157589092059
Energy: 2.0557178306076276
Energy: 1.8053511125990913
Energy: 2.0383750894887167
Energy: 1.8157842362079348
Energy: 2.0383750895024173
Energy: 1.806389955886327
Energy: 2.0302139959504584
Energy: 1.8150271314592816
Energy: 2.030213995945892
Energy: 1.8196729305603758
Energy: 2.111552696929043
Energy: 1.7073447456406943
Energy: 2.1115526969308696
Energy: 1.8173830991306261
Energy: 2.1102142900082748
Energy: 1.9117637866596868
Energy: 2.1102142900091883
Energy: 1.905857772212173
Energy: 2.0543632227431643
Energy: 1.804817390585041
Energy: 2.054363222734944
Energy: 1.9064197086706467
Energy: 2.0342155404771107
Energy: 1.806564593523057
Energy: 2.0342155404780247
Energy: 1.8110621716961615
Energy: 1.8333541723587377
Energy: 1.9060470934487665
Energy: 1.8333541723642182
Energy: 1.8099141117020279
Energy: 1.8066389107572924
Energy: 1.704560838777542
Energy: 1.806638910751812
Energy: 1.7047618114087002
Energy: 1.8072535353925727
Energy: 1.8097245408247578
Energy: 1.807253535388006
Energy: 1.907320723284085
Energy: 1.8108848434528149
Energy: 1.814774518492262
Energy: 1.8108848434573819
Energy: 1.8156746845351204
Energy: 1.8071745250255296
Energy: 1.8168578817311896
Energy: 1.8071745250173092
Energy: 1.807798486117179
Energy: 1.8113471206181548
Energy: 1.81667970350775
Energy: 1.8113471206163283
Energy: 1.815661191851997
Energy: 1.8084753158261497
Energy: 1.811715377101617
Energy: 1.8084753158215827
Energy: 1.8062288323845967
Energy: 1.8080807241754233
Energy: 1.8105121233677253
Energy: 1.8080807241754233
Energy: 1.8045441003212752
Energy: 2.034202575156412
Energy: 1.8148212214664645
Energy: 2.034202575150019
Energy: 1.806251217547423
Energy: 2.035086919295619
Energy: 1.8151204550578275
Energy: 2.0350869192947054
Energy: 1.8167861097793625
Energy: 2.1115657117586517
Energy: 1.711265523444356
Energy: 2.1115657117586517
Energy: 1.8164500059272302
Energy: 2.109859831667367
Energy: 1.8107718845282923
Energy: 2.1098598316646267
Energy: 1.9025291814113305
Energy: 2.0536778719590827
Energy: 1.8048908769713214
Energy: 2.053677871952689
Energy: 1.9068160069776803
Energy: 2.0333159601401
Energy: 1.8047395006664306
Energy: 2.033315960136446
Energy: 1.8305330803656505
Energy: 1.813116011730573
Energy: 1.9061972906511695
Energy: 1.8131160117323997
Energy: 1.8112180026765388
Energy: 1.81194359379583
Energy: 1.7045800856625424
Energy: 1.8119435938013102
Energy: 1.7045507901725323
Energy: 1.8067863410018075
Energy: 1.8069441653256155
Energy: 1.806786341008201

minimum gb energy = 1.7045507901725323 eV
minimum distance =  2.23894216987956 Angstroms
sigma value = 25


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

Energy: 2.155708538578479
Energy: 1.841401584682744
Energy: 1.9604138814561296
Energy: 1.9591206498165001
Energy: 1.9513250696353424
Energy: 2.0226040821373283
Energy: 1.9583297738556702
Energy: 2.0226040821352047
Energy: 1.9481144897049336
Energy: 1.9485762270030447
Energy: 1.8592581304438516
Energy: 1.9485762270041063
Energy: 1.9468099260595313
Energy: 1.9556889513361784
Energy: 1.8584693253316178
Energy: 1.95568895133724
Energy: 1.8577632937382622
Energy: 1.9845012505575972
Energy: 1.9534099843540784
Energy: 1.9845012505586588
Energy: 1.8327602827749858
Energy: 2.234032421201081
Energy: 1.8617005868601912
Energy: 2.234032421201081
Energy: 1.945782320267674
Energy: 2.2064720263082687
Energy: 1.9445562734547797
Energy: 2.206472026309331
Energy: 1.945748121206323
Energy: 2.201418027411979
Energy: 1.8592681457147588
Energy: 2.201418027409855
Energy: 1.9460925236420636
Energy: 2.2048884117884073
Energy: 1.827610345379616
Energy: 2.2048884117873455
Energy: 1.8328428629533298
Energy: 2.237805262870835
Energy: 1.8600779116140629
Energy: 2.2378052628687115
Energy: 1.828067518118743
Energy: 1.9554025136189996
Energy: 1.9554847965109574
Energy: 1.955402513616876
Energy: 1.8280978904223637
Energy: 1.954370233125204
Energy: 1.8597455090118542
Energy: 1.9543702331241424
Energy: 1.946384959086006
Energy: 1.946222461428804
Energy: 1.82863296739696
Energy: 1.9462224614277421
Energy: 1.957824687247677
Energy: 1.8332518757625857
Energy: 1.949459945621243
Energy: 1.8332518757604623
Energy: 1.8591687973660282
Energy: 1.9464293808278708
Energy: 1.9583932154533867
Energy: 1.9464293808278708
Energy: 1.9475881372487156
Energy: 1.8338694744810171
Energy: 1.947630818878668
Energy: 1.833869474482079
Energy: 1.9545537417434027
Energy: 1.944677214149102
Energy: 1.8582614447375467
Energy: 1.944677214149102
Energy: 1.9555653687909813
Energy: 1.9456382736356834
Energy: 1.8326425381844156
Energy: 1.9456382736378068
Energy: 1.9443498464134863
Energy: 2.2095053705207715
Energy: 1.9451718604491388
Energy: 2.2095053705207715
Energy: 1.860817578867513
Energy: 2.239705251636577
Energy: 1.944463428840978
Energy: 2.2397052516333913
Energy: 1.8275889515575117
Energy: 2.2359491777927576
Energy: 1.9461506244443136
Energy: 2.235949177794881
Energy: 1.827840611533687
Energy: 2.2370854184007487
Energy: 1.8325485058236308
Energy: 2.23708541840181
Energy: 1.9554934826783257
Energy: 1.984862780535274
Energy: 1.8279784378190589
Energy: 1.9848627805331505
Energy: 1.859045765166151
Energy: 1.954113580711324
Energy: 1.8277967185005906
Energy: 1.9541135807102619
Energy: 1.8280145191975812
Energy: 1.9460974170773413
Energy: 1.9469005190947215
Energy: 1.9460974170762793

minimum gb energy = 1.8275889515575117 eV
minimum distance =  2.23907706661483 Angstroms
sigma value = 9


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

Energy: 2.8967276265616153
Energy: 1.985197212329532
Energy: 2.124497138339588
Energy: 2.1054984439401943
Energy: 2.240614169472132
Energy: 2.1775419898174584
Energy: 2.123654112329689
Energy: 2.177541989816192
Energy: 2.105073253646931
Energy: 2.106701799068418
Energy: 2.1250500223050555
Energy: 2.1067017990671513
Energy: 2.105291278188935
Energy: 2.179262857682315
Energy: 2.1216064396324303
Energy: 2.179262857682315
Energy: 2.116325255963856
Energy: 2.122760488651788
Energy: 2.120305402306863
Energy: 2.1227604886492544
Energy: 2.10304545415548
Energy: 2.2449377996785485
Energy: 2.1221668642972173
Energy: 2.244937799677282
Energy: 2.233961772379664
Energy: 2.44802041195597
Energy: 2.121544505916213
Energy: 2.4480204119610365
Energy: 2.1220462808093994
Energy: 2.4086756392713267
Energy: 2.123354291337308
Energy: 2.4086756392713267
Energy: 2.122366896889666
Energy: 2.1658852875936847
Energy: 1.9646904053987952
Energy: 2.165885287591152
Energy: 2.121837289134146
Energy: 2.12278403300928
Energy: 1.9645763763115331
Energy: 2.1227840330118135
Energy: 1.963927028005437
Energy: 2.1053046344926454
Energy: 2.105021953607984
Energy: 2.1053046344888457
Energy: 2.2416511213079326
Energy: 2.102603936752077
Energy: 2.1236844568583613
Energy: 2.102603936749544
Energy: 2.123896605883948
Energy: 2.105274142026283
Energy: 2.1250689003638996
Energy: 2.10527414202755
Energy: 2.1047661472369636
Energy: 2.102378913544549
Energy: 2.1063134647994786
Energy: 2.102378913544549
Energy: 2.1164962073382037
Energy: 2.101476933806358
Energy: 2.1218048690366897
Energy: 2.101476933806358
Energy: 2.102684805133111
Energy: 2.125271124682284
Energy: 2.1207993111377323
Energy: 2.125271124686084
Energy: 2.233348017081726
Energy: 2.453471316765285
Energy: 2.1216870238492467
Energy: 2.4534713167678186
Energy: 2.23315747065827
Energy: 2.4536374331663744
Energy: 2.1221370387214886
Energy: 2.453637433168908
Energy: 2.1228911683362477
Energy: 2.124394784120954
Energy: 1.9645509924590674
Energy: 2.124394784123487
Energy: 2.1218714981129225
Energy: 2.122140525414461
Energy: 1.9646689079120987
Energy: 2.1221405254131946
Energy: 1.9633383281782677
Energy: 2.1052788461183716
Energy: 2.103859291744148
Energy: 2.105278846117105

minimum gb energy = 1.9633383281782677 eV
minimum distance =  2.23686499389855 Angstroms
sigma value = 25


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

Energy: 2.60525862891007
Energy: 2.1392210235020954
Energy: 2.322480143215325
Energy: 2.2910187918919176
Energy: 2.2953604180413327
Energy: 2.2754596662892577
Energy: 2.3123348586862993
Energy: 2.2754596662892577
Energy: 2.2916940366154144
Energy: 2.291439143992032
Energy: 2.311530418090956
Energy: 2.2914391439951647
Energy: 2.2896829868257895
Energy: 2.2767320415339087
Energy: 2.1735185056848914
Energy: 2.276732041535475
Energy: 2.1652251283972164
Energy: 2.1758002196223343
Energy: 2.1766387393706434
Energy: 2.1758002198212005
Energy: 2.1247675159766
Energy: 2.4342592781509893
Energy: 2.1702594261732187
Energy: 2.4342592781494226
Energy: 2.11647842062155
Energy: 2.3760345862486543
Energy: 2.173842339836002
Energy: 2.376034586243955
Energy: 2.116324182225735
Energy: 2.278649887503305
Energy: 2.173182118620183
Energy: 2.278649887501739
Energy: 2.2901149499622284
Energy: 2.290035669548054
Energy: 2.449997460274115
Energy: 2.290035669548054
Energy: 2.3128465110125456
Energy: 2.1263817294936174
Energy: 2.4439549722418117
Energy: 2.1263817294936174
Energy: 2.311139453970497
Energy: 2.2909256260862714
Energy: 2.312135484014213
Energy: 2.2909256260862714
Energy: 2.2885507596312213
Energy: 2.1264699825559736
Energy: 2.291332836923923
Energy: 2.1264699825544073
Energy: 2.1711819008250144
Energy: 2.435264781808885
Energy: 2.1654444233857024
Energy: 2.4352647818073185
Energy: 2.1732280584327848
Energy: 2.176287253323328
Energy: 2.1271645544104927
Energy: 2.176287253323328
Energy: 2.1730403801831124
Energy: 2.40933690300459
Energy: 2.116677736918131
Energy: 2.40933690300459
Energy: 2.1721507429149622
Energy: 2.4093503151447955
Energy: 2.116886800486239
Energy: 2.4093503151510616
Energy: 2.4465063680880923
Energy: 2.289458206346278
Energy: 2.2881079696677133
Energy: 2.289458206347845

minimum gb energy = 2.116324182225735 eV
minimum distance =  2.23541711943273 Angstroms
sigma value = 17


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

Energy: 3.437839914637267
Energy: 2.3710696711152663
Energy: 2.5151612663252365
Energy: 2.512379010054327
Energy: 2.1768313773290346
Energy: 2.217227129662525
Energy: 2.3926133478288767
Energy: 2.217227129662525
Energy: 2.268149229556331
Energy: 2.2677295618411732
Energy: 2.4931934498120922
Energy: 2.2677295618420605
Energy: 2.2682091941457454
Energy: 2.4494916790458223
Energy: 2.2652275799222323
Energy: 2.449491679044935
Energy: 2.2683106723587
Energy: 2.3889225334336146
Energy: 2.1807998224239187
Energy: 2.3889225334353887
Energy: 2.265714743833976
Energy: 2.3051937358388113
Energy: 2.267690424717495
Energy: 2.305193735840585
Energy: 2.34682119432341
Energy: 2.2648475190086352
Energy: 2.2668817124780833
Energy: 2.2648475190086352
Energy: 2.583944410945694
Energy: 2.264259108538559
Energy: 2.221166303599249
Energy: 2.2642591085367845
Energy: 2.4971014744041984
Energy: 2.469567054239287
Energy: 2.5055454839424556
Energy: 2.4695670542401746
Energy: 2.4697045445865498
Energy: 2.469573996181016
Energy: 2.3896832999582784
Energy: 2.4695739961845646
Energy: 2.263814934454076
Energy: 2.185269376981703
Energy: 2.2127704909125505
Energy: 2.1852693769843645
Energy: 2.4706954846616447
Energy: 2.2176312253384878
Energy: 2.2173825266688785
Energy: 2.217631225341149
Energy: 2.3471380902430607
Energy: 2.2171652156051063
Energy: 2.217718470513181
Energy: 2.2171652155838144
Energy: 2.3476838941416363
Energy: 2.2182935715085708
Energy: 2.215182484618144
Energy: 2.218293571510345
Energy: 2.469048854256543
Energy: 2.4680030353414297
Energy: 2.5883348094005276
Energy: 2.468003035342317
Energy: 2.492096966183277
Energy: 2.468187442104114
Energy: 2.5891954222751226
Energy: 2.4681874421058887
Energy: 2.471228831857715
Energy: 2.264860194814226
Energy: 2.268674250480597
Energy: 2.2648601948133384
Energy: 2.471290187914158
Energy: 2.264770777077742
Energy: 2.263453459961083
Energy: 2.2647707770759675
Energy: 2.266690243168046
Energy: 2.3888179407296297
Energy: 2.2694798087175916
Energy: 2.388817940731404
Energy: 2.1827530449671695
Energy: 2.3041825213500067
Energy: 2.269341673646808
Energy: 2.3041825213535554
Energy: 2.266203408706364
Energy: 2.2666932175172283
Energy: 2.5843627638214817
Energy: 2.2666932175154537
Energy: 2.2688018690567247
Energy: 2.288387802613037
Energy: 2.347519218355532
Energy: 2.288387802611263
Energy: 2.390442448160714
Energy: 2.4698494128148716
Energy: 2.3904922964161157
Energy: 2.4698494128130974
Energy: 2.497002798073059
Energy: 2.4696890903330795
Energy: 2.469823698644672
Energy: 2.469689090325982
Energy: 2.2173080846970894
Energy: 2.2172795459789714
Energy: 2.4704005778967897
Energy: 2.217279545978084
Energy: 2.217847663543739
Energy: 2.2174242531867154
Energy: 2.264725949504825
Energy: 2.2174242531876023
Energy: 2.2119559098621604
Energy: 2.2173096947389834
Energy: 2.3502290666175174
Energy: 2.217309694738096
Energy: 2.2206144640288605
Energy: 2.217050976845071
Energy: 2.348607034803957
Energy: 2.217050976845958
Energy: 2.2172309349469113
Energy: 2.2164165620652296
Energy: 2.3470757224508065
Energy: 2.2164165620634555
Energy: 2.5917522375645694
Energy: 2.470154215586906
Energy: 2.4689300448227707
Energy: 2.4701542155895675

minimum gb energy = 2.1768313773290346 eV
minimum distance =  2.23816546903322 Angstroms
sigma value = 53


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

Energy: 3.1683068942021833
Energy: 2.164122784466651
Energy: 2.395532916439845
Energy: 2.392314002396464
Energy: 2.6148684687848807
Energy: 2.2806628164045972
Energy: 2.391009829988446
Energy: 2.280662816402555
Energy: 2.3907738386569575
Energy: 2.3909248959172698
Energy: 2.4088873008599605
Energy: 2.390924895913184
Energy: 2.390634846408584
Energy: 2.285325526173474
Energy: 2.3871465768791995
Energy: 2.2853255261673464
Energy: 2.4211598948061526
Energy: 2.283710821165433
Energy: 2.148117408398524
Energy: 2.2837108211674755
Energy: 2.3873951653598007
Energy: 2.288584535750957
Energy: 2.15131508059335
Energy: 2.2885845357489143
Energy: 2.609089495610173
Energy: 2.389964380910931
Energy: 2.3907642937137545
Energy: 2.389964380908889
Energy: 2.6089225376850864
Energy: 2.3880256934152038
Energy: 2.384643428023518
Energy: 2.3880256934152038
Energy: 2.3949972022987778
Energy: 2.3930820771804293
Energy: 2.413731953514801
Energy: 2.3930820771763446
Energy: 2.387087572323246
Energy: 2.389533115715584
Energy: 2.393757007632016
Energy: 2.389533115715584
Energy: 2.4187493658338988
Energy: 2.2945799824714266
Energy: 2.1500775142161
Energy: 2.2945799824714266
Energy: 2.390987176651506
Energy: 2.2830947017705587
Energy: 2.1405029486198224
Energy: 2.283094701768517
Energy: 2.6089730214326434
Energy: 2.387797480893382
Energy: 2.3862302926544867
Energy: 2.387797480893382

minimum gb energy = 2.1405029486198224 eV
minimum distance =  2.22821518741571 Angstroms
sigma value = 9


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

Energy: 3.0379425462299046
Energy: 2.4313298612749765
Energy: 2.6493191710685076
Energy: 2.5450624829984574
Energy: 2.3449535068771374
Energy: 2.260284936720538
Energy: 2.5702055057316437
Energy: 2.2602849367258293
Energy: 2.254291006817333
Energy: 2.257190067086223
Energy: 2.5423813993518602
Energy: 2.2571900670847107
Energy: 2.2595522034576847
Energy: 2.26280447844568
Energy: 2.6823967932411046
Energy: 2.262804478453171
Energy: 2.26159957707279
Energy: 2.25972801656208
Energy: 2.678151434345842
Energy: 2.2597280165666156
Energy: 2.2597466221881484
Energy: 2.260294201089804
Energy: 2.6785582479203893
Energy: 2.2602942010890477
Energy: 2.589817157807095
Energy: 2.5436612162493293
Energy: 2.572183040016823
Energy: 2.543661216250085
Energy: 2.5709944222497456
Energy: 2.5423717676850455
Energy: 2.544421775679917
Energy: 2.542371767687313
Energy: 2.3268674372035862
Energy: 2.4301968854617737
Energy: 2.3598878007814763
Energy: 2.4301968854647975
Energy: 2.2762572716613128
Energy: 2.3663450737138283
Energy: 2.5478590315204808
Energy: 2.3663450737138283
Energy: 2.3211217189013644
Energy: 2.3213203038342622
Energy: 2.4989540444863523
Energy: 2.32132030383653
Energy: 2.3577290820098926
Energy: 2.3255371829100815
Energy: 2.6794837913288463
Energy: 2.325537182913105
Energy: 2.568536693225661
Energy: 2.321846151540749
Energy: 2.36934547069299
Energy: 2.3218461515422613
Energy: 2.5893266132299364
Energy: 2.323490159112297
Energy: 2.325260626409482
Energy: 2.323490159113053
Energy: 2.5421786906526154
Energy: 2.328164442951844
Energy: 2.3285918346633965
Energy: 2.3281644429510884
Energy: 2.404459085330967
Energy: 2.4605045305921034
Energy: 2.3303989703763466
Energy: 2.4605045305951276
Energy: 2.5471639104899904
Energy: 2.4456169471745506
Energy: 2.327893601884146
Energy: 2.445616947172283
Energy: 2.542804668018626
Energy: 2.5465310569191018
Energy: 2.682202107996415
Energy: 2.5465310569191018
Energy: 2.569577079132633
Energy: 2.363480691922933
Energy: 2.346430765979534
Energy: 2.363480691921421
Energy: 2.5429313805760705
Energy: 2.2559127525077187
Energy: 2.2545985666241504
Energy: 2.2559127525077187
Energy: 2.6839277235453256
Energy: 2.2615881316483217
Energy: 2.263638629374976
Energy: 2.261588131646054
Energy: 2.678099680368095
Energy: 2.258846896445644
Energy: 2.260023118653132
Energy: 2.258846896444133
Energy: 2.6783597402285917
Energy: 2.2615959326652915
Energy: 2.2595458776058353
Energy: 2.2615959326690707
Energy: 2.5737196053870477
Energy: 2.543164328022402
Energy: 2.5709227584278334
Energy: 2.543164328023158
Energy: 2.545426211602118
Energy: 2.542489434806916
Energy: 2.570575519020254
Energy: 2.542489434806916
Energy: 2.3568176079593424
Energy: 2.4568559849029454
Energy: 2.3246294721069343
Energy: 2.456855984899922
Energy: 2.5440722109067946
Energy: 2.363843938158773
Energy: 2.275779165743944
Energy: 2.363843938156505
Energy: 2.4974753699462418
Energy: 2.3224123052505243
Energy: 2.3227354137538696
Energy: 2.3224123052512806
Energy: 2.6791050443979905
Energy: 2.3274975521882375
Energy: 2.352554616335386
Energy: 2.327497552191261
Energy: 2.3713512277405586
Energy: 2.32199608061756
Energy: 2.5682550295326894
Energy: 2.3219960806145368
Energy: 2.3275397978957586
Energy: 2.32501797034922
Energy: 2.5430416102240043
Energy: 2.3250179703477083
Energy: 2.328242854435677
Energy: 2.3298339845855645
Energy: 2.543363546059877
Energy: 2.3298339845855645
Energy: 2.352931936533233
Energy: 2.588674040059846
Energy: 2.404359187072037
Energy: 2.58867404005909
Energy: 2.325565983144253
Energy: 2.44906757841788
Energy: 2.4119226728776275
Energy: 2.449067578418636
Energy: 2.682110228164694
Energy: 2.5453359995255487
Energy: 2.5425419443256048
Energy: 2.545335999524793

minimum gb energy = 2.254291006817333 eV
minimum distance =  2.21183252019769 Angstroms
sigma value = 73


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

Energy: 2.895046886590277
Energy: 2.264420681317293
Energy: 2.4395987112836672
Energy: 2.4384496088090923
Energy: 2.4664487801103188
Energy: 2.269050317463141
Energy: 2.4709116634750017
Energy: 2.269050317463141
Energy: 2.255524102641002
Energy: 2.2585499284460453
Energy: 2.4328172467822236
Energy: 2.258549928448444
Energy: 2.258641255348519
Energy: 2.260498370728389
Energy: 2.633710582146774
Energy: 2.260498370728389
Energy: 2.2655454813101
Energy: 2.2655586229687716
Energy: 2.6303567921770097
Energy: 2.2655586229699707
Energy: 2.269291933419021
Energy: 2.2671828732140575
Energy: 2.630315736042848
Energy: 2.2671828732140575
Energy: 2.4589728425621513
Energy: 2.438887418819799
Energy: 2.4746312292891384
Energy: 2.438887418819799
Energy: 2.4628997019017347
Energy: 2.4368542661432246
Energy: 2.4356239879535058
Energy: 2.4368542661420256
Energy: 2.437797668626268
Energy: 2.4382306514007985
Energy: 2.4465121016558693
Energy: 2.438230651392403
Energy: 2.288720438928683
Energy: 2.439262564851212
Energy: 2.4401280088102753
Energy: 2.43926256485361
Energy: 2.433030887614687
Energy: 2.4370571367455613
Energy: 2.6306930840233713
Energy: 2.4370571367455613
Energy: 2.474405826606162
Energy: 2.438650831749463
Energy: 2.6340184796830206
Energy: 2.438650831749463
Energy: 2.4316561447548195
Energy: 2.268039610209757
Energy: 2.2696070219394913
Energy: 2.2680396102085574
Energy: 2.432851447096137
Energy: 2.26388921462938
Energy: 2.260680657784564
Energy: 2.2638892146305793
Energy: 2.6330205461394436
Energy: 2.25790610290403
Energy: 2.2553048347482085
Energy: 2.25790610290403
Energy: 2.6310006627386153
Energy: 2.2596684108543763
Energy: 2.256286971022427
Energy: 2.259668410853177
Energy: 2.630345119747941
Energy: 2.26885549236228
Energy: 2.2704561882694843
Energy: 2.2688554923610806
Energy: 2.473454834240741
Energy: 2.439075358387057
Energy: 2.635058627710902
Energy: 2.4390753583882563
Energy: 2.4370260666202497
Energy: 2.4398151458384234
Energy: 2.463909100193701
Energy: 2.439815145839623
Energy: 2.4387823076609974
Energy: 2.423431030930059
Energy: 2.4409549463645144
Energy: 2.42343103092886
Energy: 2.436008792198656
Energy: 2.4383710819073343
Energy: 2.235660113758606
Energy: 2.4383710819312943
Energy: 2.634426110644026
Energy: 2.4364252853227137
Energy: 2.438138114905088
Energy: 2.4364252853215147

minimum gb energy = 2.235660113758606 eV
minimum distance =  2.21179885200567 Angstroms
sigma value = 7


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

Energy: 2.612629187188998
Energy: 2.294390527113376
Energy: 2.434221408619805
Energy: 2.4331829328689225
Energy: 2.4291293807795253
Energy: 2.4311371903521786
Energy: 2.4639220448974304
Energy: 2.431137190351331
Energy: 2.269517465579624
Energy: 2.273375394796619
Energy: 2.4301492362224297
Energy: 2.273375394785594
Energy: 2.276472627959542
Energy: 2.278654649327031
Energy: 2.707700993460795
Energy: 2.278654649322791
Energy: 2.267734855012172
Energy: 2.269258891169283
Energy: 2.583280210380154
Energy: 2.269258891166739
Energy: 2.300813713225847
Energy: 2.27004343039078
Energy: 2.583274417858671
Energy: 2.270043430391628
Energy: 2.5670180511458094
Energy: 2.271189315199622
Energy: 2.298499839244009
Energy: 2.2711893151979257
Energy: 2.46216763431734
Energy: 2.2688135067200226
Energy: 2.270029351863115
Energy: 2.2688135067217186
Energy: 2.56783851813824
Energy: 2.296971538527849
Energy: 2.297968805244825
Energy: 2.296971538529545
Energy: 2.5843223735946705
Energy: 2.610207013003697
Energy: 2.2680873469213707
Energy: 2.6102070129918244
Energy: 2.470208580886454
Energy: 2.4280969595242055
Energy: 2.448073217070392
Energy: 2.4280969595309903
Energy: 2.4328845907409873
Energy: 2.434640223310203
Energy: 2.5691648463802705
Energy: 2.434640223307659
Energy: 2.4316896139113555
Energy: 2.435398182192065
Energy: 2.434750887005359
Energy: 2.435398182188673
Energy: 2.433669320608323
Energy: 2.4004399625378854
Energy: 2.274145605393932
Energy: 2.400439962538733
Energy: 2.431818533986968
Energy: 2.435899543889539
Energy: 2.2748012881893227
Energy: 2.435899543892931
Energy: 2.549524987964362
Energy: 2.434372778222338
Energy: 2.4318524160692028
Energy: 2.4343727782214906
Energy: 2.672670447392722
Energy: 2.427845816750249
Energy: 2.465218258125559
Energy: 2.4278458167536408
Energy: 2.270415115496064
Energy: 2.5488408979100385
Energy: 2.4319764584339496
Energy: 2.5488408977684522
Energy: 2.292271450971381
Energy: 2.2966590090119547
Energy: 2.567699255495668
Energy: 2.2966590090178913
Energy: 2.2697521327017482
Energy: 2.268754531503465
Energy: 2.5505847582272234
Energy: 2.268754531508554
Energy: 2.2979458266846255
Energy: 2.2712459766872386
Energy: 2.583722921739024
Energy: 2.2712459766940225
Energy: 2.5709091535509216
Energy: 2.2696622817014167
Energy: 2.2980742688206535
Energy: 2.2696622817014167
Energy: 2.5736317409600256
Energy: 2.2693846468352263
Energy: 2.267468168984812
Energy: 2.269384646830986
Energy: 2.5691398154464014
Energy: 2.2791909074958263
Energy: 2.2776584493847296
Energy: 2.27919090748989
Energy: 2.584650672840281
Energy: 2.273537172830617
Energy: 2.2696748403475526
Energy: 2.273537172824681
Energy: 2.5866610243257044
Energy: 2.430647495715467
Energy: 2.2725036485882173
Energy: 2.4306474957163147
Energy: 2.431700092803387
Energy: 2.4343521969262345
Energy: 3.3946211294195545
Energy: 2.4343521969152095
Energy: 2.4277917846281767
Energy: 2.431330831932676
Energy: 2.430462667213731
Energy: 2.431330831928436
Energy: 2.4361949552181326
Energy: 2.4053723775808646
Energy: 2.4352482574584537
Energy: 2.4053723775825606
Energy: 2.427575578370647
Energy: 2.4312050590046517
Energy: 2.2742803341061952
Energy: 2.431205059000411
Energy: 2.5521724218216533
Energy: 2.429268402138277
Energy: 2.4353185360435097
Energy: 2.4292684021357323

minimum gb energy = 2.267468168984812 eV
minimum distance =  2.20240806139287 Angstroms
sigma value = 29


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

Energy: 2.2052010480851423
Energy: 2.205662165736946
Energy: 2.2199429612721646
Energy: 2.3373521976257976
Energy: 2.1854394079891684
Energy: 2.341495254094046
Energy: 2.219932538160932
Energy: 2.34149525409316
Energy: 2.20847942622606
Energy: 2.3586272448882206
Energy: 2.192779021180611
Energy: 2.358627244888483
Energy: 2.1890377333504287
Energy: 2.2073085625378392
Energy: 2.205704476493646
Energy: 2.2073085625381346
Energy: 2.205166725444651
Energy: 2.2082989404247755
Energy: 2.1902529398900517
Energy: 2.2082989404247755
Energy: 2.2051625190733612
Energy: 2.34786475640136
Energy: 2.188642954950002
Energy: 2.3478647563999164
Energy: 2.1918333766657034
Energy: 2.35686934505547
Energy: 2.206645698920239
Energy: 2.356869345056619
Energy: 2.2098548603314967
Energy: 2.2099692450714814
Energy: 2.185721233124497
Energy: 2.209969245071186
Energy: 2.1849714909905655
Energy: 2.210484556057379
Energy: 2.2111330360625
Energy: 2.2104845560568216

minimum gb energy = 2.1849714909905655 eV
minimum distance =  2.20654722957698 Angstroms
sigma value = 5


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

Energy: 2.7073577258108545
Energy: 2.0546040383639053
Energy: 2.4500126334338783
Energy: 2.086494311667294
Energy: 2.299430074024471
Energy: 2.0842455843928285
Energy: 2.4862398654667603
Energy: 2.084245584388022
Energy: 2.4869059981716073
Energy: 2.2371112673682867
Energy: 2.4941523981379166
Energy: 2.2371112673666844
Energy: 2.313257210126053
Energy: 2.431088547104548
Energy: 2.4780375175276976
Energy: 2.431088547110155
Energy: 2.281828583837633
Energy: 2.083718856064449
Energy: 2.310491600736161
Energy: 2.0837188560628466
Energy: 2.0857301818716962
Energy: 2.0837882094803866
Energy: 2.3115296307675255
Energy: 2.0837882094803866
Energy: 2.0836648798246964
Energy: 2.083669806483963
Energy: 2.479221162800841
Energy: 2.083669806482361
Energy: 2.0867950853312074
Energy: 2.086587723918029
Energy: 2.6442974146252873
Energy: 2.0865877239204322
Energy: 2.437668350902094
Energy: 2.141838667842448
Energy: 2.652685001251002
Energy: 2.1418386678488566
Energy: 2.639548744053062
Energy: 2.0536844249828574
Energy: 2.0552019992664756
Energy: 2.053684424994874
Energy: 2.435265522023519
Energy: 2.049084689130818
Energy: 2.0488614677917756
Energy: 2.04908468913242
Energy: 2.642058921391853
Energy: 2.0509469142379335
Energy: 2.051680633895373
Energy: 2.0509469142427403
Energy: 2.6421752005797168
Energy: 2.0500069594857164
Energy: 2.0798746250220903
Energy: 2.050006959483313
Energy: 2.2745318834657025
Energy: 2.158151185734369
Energy: 2.638533248131355
Energy: 2.1581511857415783
Energy: 2.237832303822234
Energy: 2.0307524376236663
Energy: 2.638721063695415
Energy: 2.0307524376300745
Energy: 2.2335196755121784
Energy: 2.026167999714432
Energy: 2.1258956420598807
Energy: 2.026167999712029
Energy: 2.229493614540236
Energy: 2.0311850445037263
Energy: 2.125136716716624
Energy: 2.031185044509334
Energy: 2.6261197069185793
Energy: 2.0258904615040376
Energy: 2.12673843942793
Energy: 2.025890461516855
Energy: 2.618148066766055
Energy: 2.1855155070903947
Energy: 2.1310768763992
Energy: 2.1855155070935983
Energy: 2.619520469941406
Energy: 2.1006521357365857
Energy: 2.31647850744035
Energy: 2.1006521357365857
Energy: 2.3162140255597357
Energy: 2.099101754256219
Energy: 2.1279108225888494
Energy: 2.0991017542610257
Energy: 2.31098012462432
Energy: 2.0975758690804174
Energy: 2.09895975359336
Energy: 2.0975758690884283
Energy: 2.775014041754974
Energy: 2.097938764752465
Energy: 2.0981460702321333
Energy: 2.0979387647564702
Energy: 2.6437969422994083
Energy: 2.101821598923766
Energy: 2.102871629381219
Energy: 2.1018215989245674
Energy: 2.6435987586810676
Energy: 2.0400469341961815
Energy: 2.133815239339818
Energy: 2.0400469341865684
Energy: 2.039515684171817
Energy: 2.0373506551649414
Energy: 2.639511128230625
Energy: 2.037350655170549
Energy: 2.0359695801023623
Energy: 2.0359243006878613
Energy: 2.1348115912097887
Energy: 2.035924300682254
Energy: 2.0363243401865483
Energy: 2.035832112566725
Energy: 2.272373586412297
Energy: 2.035832112563521
Energy: 2.2288931420388978
Energy: 2.037175080207495
Energy: 2.642003486240583
Energy: 2.0371750802050914
Energy: 2.638454271559437
Energy: 2.139185083527495
Energy: 2.1343863008097523
Energy: 2.1391850835266935
Energy: 2.638564387011466
Energy: 2.083417284046127
Energy: 2.0848880792753084
Energy: 2.083417284047729
Energy: 2.4782138434481924
Energy: 2.0828798149553465
Energy: 2.0836736668893323
Energy: 2.082879814963358
Energy: 2.1038751600284438
Energy: 2.0830343865670247
Energy: 2.085034349642818
Energy: 2.0830343865606165

minimum gb energy = 2.0258904615040376 eV
minimum distance =  2.1847390533873 Angstroms
sigma value = 1


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

Energy: 3.089784617732035
Energy: 1.9071569036289004
Energy: 2.348873964590531
Energy: 1.9665205001514627
Energy: 2.0220273603440884
Energy: 1.9668597845948812
Energy: 2.5239609336924804
Energy: 1.9668597845982043
Energy: 2.5258925885361836
Energy: 2.1633070803779004
Energy: 2.532867568653235
Energy: 2.1633070803790084
Energy: 2.015985721660068
Energy: 2.1644126791014915
Energy: 2.5112769465427465
Energy: 2.164412679100384
Energy: 1.9650971995532074
Energy: 1.9629958576650113
Energy: 2.522877870033522
Energy: 1.9629958576650113
Energy: 1.961730077255007
Energy: 1.9637558550721053
Energy: 2.5194790901665356
Energy: 1.9637558550754284
Energy: 1.9600534715434923
Energy: 1.9619618740491231
Energy: 2.513329628603008
Energy: 1.961961874052446
Energy: 1.966610095336945
Energy: 1.9683166913281305
Energy: 2.994283416185419
Energy: 1.9683166913236996
Energy: 2.518543464425718
Energy: 2.0488178719410084
Energy: 2.9949803562381874
Energy: 2.048817871942116
Energy: 2.521605447519784
Energy: 1.9681318478575887
Energy: 1.9664503339950095
Energy: 1.968131847863127
Energy: 2.5153482395194313
Energy: 1.9615971346060053
Energy: 1.9593471340084103
Energy: 1.9615971346071133
Energy: 2.9928264318753173
Energy: 1.9650789171626937
Energy: 1.962994849714215
Energy: 1.9650789171626937
Energy: 2.992405183564708
Energy: 1.9628373576153435
Energy: 1.9638475717045794
Energy: 1.9628373576142357
Energy: 1.9694140253985566
Energy: 2.1665786445796535
Energy: 2.5306468164702576
Energy: 2.1665786445818687
Energy: 2.0203369611248667
Energy: 2.1628094040805874
Energy: 2.5265427251861508
Energy: 2.1628094040861257
Energy: 2.0240699868237675
Energy: 1.9659845213926486
Energy: 2.5122243318467197
Energy: 1.9659845213893257
Energy: 1.9635896157850803
Energy: 1.9638721062677535
Energy: 2.5306124952529325
Energy: 1.963872106266646
Energy: 1.9648441488287398
Energy: 1.9674526996535366
Energy: 2.5126136613361743
Energy: 1.9674526996568598
Energy: 1.960156021933778
Energy: 1.9619069260674842
Energy: 2.99519292966106
Energy: 1.9619069260652688
Energy: 1.965647417640619
Energy: 1.9697951332930888
Energy: 2.994501089720703
Energy: 1.9697951332953039
Energy: 2.524491334462466
Energy: 2.0493875611578365
Energy: 2.5114279272474427
Energy: 2.049387561158944
Energy: 2.527379835075733
Energy: 1.9663947353129096
Energy: 1.9660433801665884
Energy: 1.9663947353184477
Energy: 1.9675645176424212
Energy: 1.9639238897916114
Energy: 1.963060295934318
Energy: 1.963923889783858
Energy: 2.9924658874088883
Energy: 1.9629883304261098
Energy: 1.9611988298694019
Energy: 1.9629883304227869

minimum gb energy = 1.9071569036289004 eV
minimum distance =  2.19539050949157 Angstroms
sigma value = 17


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

Energy: 2.1004472674005727
Energy: 1.8797942059574044
Energy: 2.3304631289630913
Energy: 1.9231170964845536
Energy: 1.9555438453041545
Energy: 1.9220747395519409
Energy: 2.2781125819932964
Energy: 1.922074739555364
Energy: 2.5844344279102986
Energy: 1.9154113877904884
Energy: 2.2786096011604307
Energy: 1.915411387785696
Energy: 2.5730948040083956
Energy: 2.011653012677949
Energy: 2.2651655837662963
Energy: 2.0116530126786336
Energy: 2.2301471875594583
Energy: 1.8799920229318878
Energy: 2.3568895841875026
Energy: 1.8799920229305187
Energy: 1.8804017141731388
Energy: 1.879871726500542
Energy: 2.351882727807135
Energy: 1.879871726500542
Energy: 1.8798911481024316
Energy: 1.8789779493179537
Energy: 1.954250294162763
Energy: 1.8789779493186385
Energy: 1.8813796977947217
Energy: 1.8804490225250732
Energy: 2.1249354942180823
Energy: 1.8804490225298653
Energy: 2.5821786461160086
Energy: 1.879449882902584
Energy: 2.273155432028687
Energy: 1.8794498829039532
Energy: 2.281141888765569
Energy: 2.010362333804195
Energy: 2.2699115380054793
Energy: 2.0103623338062486
Energy: 2.579328952915183
Energy: 1.9150149402692007
Energy: 1.94791708254598
Energy: 1.9150149402692007
Energy: 2.3456811718504738
Energy: 1.91581988703209
Energy: 2.26740921164347
Energy: 1.9158198870286671
Energy: 2.361681721397375
Energy: 1.914526663304393
Energy: 1.9156309704639634
Energy: 1.9145266632996008
Energy: 1.9193933364486275
Energy: 1.9156687039755367
Energy: 1.9179554241130676
Energy: 1.9156687039762215
Energy: 2.592331667356384
Energy: 1.9208166095244916
Energy: 1.9236857703994013
Energy: 1.9208166095272297
Energy: 2.111658173112315
Energy: 1.917635504261062
Energy: 1.919929345422825
Energy: 1.9176355042617466
Energy: 1.9182583055741866
Energy: 1.9180357393545098
Energy: 2.34874257606555
Energy: 1.9180357393572482
Energy: 1.915475013859879
Energy: 1.914635620109969
Energy: 2.58486349813478
Energy: 1.9146356201079149
Energy: 1.9205353191517018
Energy: 1.9196852754813916
Energy: 2.2706431779770675
Energy: 1.9196852754779685
Energy: 1.9192955225129547
Energy: 1.9156658402729065
Energy: 2.126187677995462
Energy: 1.9156658402681142
Energy: 2.2802339752365115
Energy: 1.9189741277117809
Energy: 2.2338353800028203
Energy: 1.9189741277090426
Energy: 2.276821425088583
Energy: 2.3368546954340985
Energy: 2.5851948815361427
Energy: 2.3368546954286216
Energy: 2.2660682188711396
Energy: 2.010358562344037
Energy: 2.5953634868576145
Energy: 2.0103585623447215
Energy: 2.363913681279185
Energy: 1.880103191350329
Energy: 2.2302838684032786
Energy: 1.880103191348275
Energy: 2.593150120303103
Energy: 1.8796482145157014
Energy: 1.8802532749654377
Energy: 1.8796482145204938
Energy: 2.267962066308555
Energy: 1.8791946446241377
Energy: 1.8796616595216453
Energy: 1.8791946446227683
Energy: 2.1276394668010696
Energy: 1.8793904023442904
Energy: 1.8819279359299408
Energy: 1.8793904023415522
Energy: 1.9592914565022543
Energy: 1.8795325480143037
Energy: 2.5848795879720328
Energy: 1.8795325480177267
Energy: 2.2743546588867836
Energy: 2.012791964736959
Energy: 2.2789121402563883
Energy: 2.01279196473559
Energy: 1.949330142778774
Energy: 1.9151960241894366
Energy: 2.5759511940995106
Energy: 1.9151960241921748
Energy: 2.264969465020992
Energy: 1.9149774267859991
Energy: 2.3517008667375334
Energy: 1.9149774267859991
Energy: 1.9156606091858566
Energy: 1.9149514681976694
Energy: 2.355019525123866
Energy: 1.9149514681990385
Energy: 1.9157560263668003
Energy: 1.9143626292316487
Energy: 2.2644819481264453
Energy: 1.9143626292316487
Energy: 1.9235926718858545
Energy: 1.923240918613703
Energy: 2.572197210280099
Energy: 1.9232409186157564
Energy: 2.2717287753054105
Energy: 1.969815878294491
Energy: 1.8825639456153436
Energy: 1.969815878296545
Energy: 2.3493914960544533
Energy: 1.9164823413230463
Energy: 1.9194661798374264
Energy: 1.9164823413196235
Energy: 2.5806126644423544
Energy: 1.9139078758339947
Energy: 1.9142731966523954
Energy: 1.9139078758312567
Energy: 2.2759573280023018
Energy: 1.9169087810394665
Energy: 1.9183996574746658
Energy: 1.9169087810394665

minimum gb energy = 1.8789779493179537 eV
minimum distance =  2.19177833625695 Angstroms
sigma value = 89


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

Energy: 4.10435453727052
Energy: 1.7367786418409668
Energy: 1.7513510770809624
Energy: 1.745729255020823
Energy: 1.7436310240581667
Energy: 1.9011402783224294
Energy: 1.7542451516091333
Energy: 1.901140278320638
Energy: 1.7425476454390019
Energy: 1.8998861183593467
Energy: 1.7497533558680431
Energy: 1.8998861183575553
Energy: 1.7373767776713454
Energy: 1.8949528730153256
Energy: 1.7437767186039783
Energy: 1.8949528730153256
Energy: 1.7424333835903376
Energy: 1.7446556824919008
Energy: 1.7399109168699873
Energy: 1.7446556824936923
Energy: 1.7429118620580237
Energy: 1.7432899378090245
Energy: 1.7472522273271858
Energy: 1.7432899378090245
Energy: 1.7415405881105894
Energy: 1.7412613108308097
Energy: 1.7455078297052646
Energy: 1.741261310832601
Energy: 1.7420420760267061
Energy: 1.7429527104853433
Energy: 1.7381995993111672
Energy: 1.7429527104853433
Energy: 1.7493149406645716
Energy: 1.7410824621635077
Energy: 1.7513601944159798
Energy: 1.7410824621635077
Energy: 1.7485780447003128
Energy: 1.8939283301930117
Energy: 1.7490659156007642
Energy: 1.893928330194803
Energy: 1.7456288964863718
Energy: 1.8922704868737639
Energy: 1.7343098832770458
Energy: 1.8922704868755553
Energy: 1.7387313220224538
Energy: 1.7410519394363393
Energy: 1.7464096981903814
Energy: 1.7410519394363393
Energy: 1.739538417527144
Energy: 1.7439365371940914
Energy: 1.7424485614641578
Energy: 1.7439365371940914
Energy: 1.7446870231751568
Energy: 1.7400360919812932
Energy: 1.7396987705170954
Energy: 1.740036091979502
Energy: 1.7477852878966924
Energy: 1.7450403484816515
Energy: 1.7432368421805478
Energy: 1.7450403484816515

minimum gb energy = 1.7343098832770458 eV
minimum distance =  2.21271982348929 Angstroms
sigma value = 13


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

Energy: 3.563027452783377
Energy: 1.58088415495486
Energy: 2.0712946492214943
Energy: 1.6049668089832538
Energy: 1.6080182300431574
Energy: 1.5958655700591733
Energy: 1.9950479865245367
Energy: 1.5958655700531668
Energy: 1.6077855257048523
Energy: 1.594816612556333
Energy: 1.9963692755839342
Energy: 1.594816612560087
Energy: 2.3850948621203156
Energy: 1.59285400562706
Energy: 1.9927140140608595
Energy: 1.5928540056375708
Energy: 1.9970188151379322
Energy: 1.5934422568461841
Energy: 1.9971749669666243
Energy: 1.5934422568454332
Energy: 1.9944739297784422
Energy: 1.5982855158989075
Energy: 1.992332582201304
Energy: 1.598285515899658
Energy: 1.9958552843905955
Energy: 1.5950874918187172
Energy: 1.9901311018589762
Energy: 1.5950874918314126
Energy: 1.9947866279483832
Energy: 1.5960022388773076
Energy: 1.9928732002947978
Energy: 1.5960022388675474
Energy: 1.5938191654237828
Energy: 1.5927779896366694
Energy: 1.9981605930366257
Energy: 1.5927779896178997
Energy: 1.5937597041777245
Energy: 1.59355026407271
Energy: 1.997488111023339
Energy: 1.5935502640794672
Energy: 1.5966267071561682
Energy: 1.5930793107665444
Energy: 1.608621204639975
Energy: 1.5930793107642918
Energy: 1.9922284041483085
Energy: 1.6824587696667972
Energy: 1.9960373949983394
Energy: 1.6824587696607907
Energy: 2.000330116217838
Energy: 1.6792700828180764
Energy: 1.9904735155474254
Energy: 1.67927008280231
Energy: 1.993550806704701
Energy: 1.6800031475001462
Energy: 2.385371047869339
Energy: 1.68000314751366
Energy: 1.994231952625825
Energy: 1.5940935243951606
Energy: 1.9948086179981745
Energy: 1.5940935243786432
Energy: 2.002751180885687
Energy: 1.599542628380772
Energy: 1.6002802849848345
Energy: 1.5995426283732643
Energy: 1.9893761193898036
Energy: 1.5953305116567904
Energy: 1.5989030238404667
Energy: 1.5953305116522853
Energy: 1.6188027601209674
Energy: 1.5965446270285728
Energy: 1.5997257601450037
Energy: 1.5965446270285728
Energy: 2.3637540788987494
Energy: 1.5938049764005664
Energy: 1.9884577624336082
Energy: 1.5938049763953108
Energy: 1.9969495354842348
Energy: 1.5932532039331793
Energy: 1.998807534631796
Energy: 1.5932532039211662
Energy: 2.577565447796371
Energy: 1.5935312901764833
Energy: 1.9892191760081397
Energy: 1.593531290181739
Energy: 1.9951341619442804
Energy: 1.595281795806371
Energy: 1.9906549570669065
Energy: 1.5952817958228886
Energy: 1.990636811193912
Energy: 1.5936099172364877
Energy: 1.9989381111357432
Energy: 1.5936099172184683
Energy: 1.6066052132691195
Energy: 1.593437314519591
Energy: 1.9939096094874742
Energy: 1.5934373145278498
Energy: 1.9899750000153933
Energy: 1.593762764166503
Energy: 1.9947027437819145
Energy: 1.5937627641657524
Energy: 1.5944594518872537
Energy: 1.59360621781563
Energy: 2.0011106530802825
Energy: 1.5936062178223869
Energy: 1.5932770458467806
Energy: 1.5931604125057137
Energy: 1.9945599797616267
Energy: 1.593160412497455
Energy: 1.5958643335135558
Energy: 1.592591439327545
Energy: 1.6183822013708034
Energy: 1.5925914393260434
Energy: 1.988680002093889
Energy: 1.5943703658175208
Energy: 2.3643906210092385
Energy: 1.5943703658190223
Energy: 1.998923980439238
Energy: 1.6798380153390269
Energy: 1.9885370060568273
Energy: 1.6798380153337713
Energy: 1.9939371151600063
Energy: 1.6812962516708017
Energy: 2.3660715435325224
Energy: 1.6812962516768082
Energy: 2.0017645856361654
Energy: 1.5971305482431797
Energy: 1.9888393187629723
Energy: 1.5971305482326688
Energy: 1.9940204844704084
Energy: 1.5934409094461461
Energy: 1.596015332251693
Energy: 1.5934409094529032
Energy: 2.351192848284284
Energy: 1.593581522996711
Energy: 1.5946037077350117
Energy: 1.5935815229959605
Energy: 2.3646626281892664
Energy: 1.5942228145943023
Energy: 1.595829612599656
Energy: 1.5942228145988069

minimum gb energy = 1.58088415495486 eV
minimum distance =  2.21061900783983 Angstroms
sigma value = 37


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

Energy: 2.5147789820317437
Energy: 1.440415289872014
Energy: 1.45959847806516
Energy: 1.460226681466368
Energy: 1.7796806708497375
Energy: 1.4589725560519915
Energy: 1.4618157819277855
Energy: 1.4589725560519915
Energy: 1.7814350594154233
Energy: 1.4584692089991391
Energy: 1.4642719413011531
Energy: 1.458469209000431
Energy: 1.8027302304003976
Energy: 1.624142332013983
Energy: 1.4723983437217767
Energy: 1.624142332016566
Energy: 2.1222923876620836
Energy: 1.4299441886229312
Energy: 1.788911425411098
Energy: 1.4299441886216395
Energy: 1.7797163240640983
Energy: 1.4316493936158692
Energy: 1.7788399837099573
Energy: 1.431649393617161
Energy: 1.7849110584472039
Energy: 1.4337746689787612
Energy: 1.4404171051638714
Energy: 1.4337746689813446
Energy: 1.7888798040479046
Energy: 1.4384996373197532
Energy: 1.7923424134126227
Energy: 1.4384996373184613
Energy: 1.7811183416391683
Energy: 1.4288757705502169
Energy: 1.7892161410095024
Energy: 1.4288757705515087
Energy: 1.7802115553269915
Energy: 1.4296631569118103
Energy: 1.4367259921026652
Energy: 1.4296631569079354
Energy: 1.7978981530889675
Energy: 1.7967978000972602
Energy: 3.1088396498587128
Energy: 1.7967978000985518
Energy: 1.7829043564013844
Energy: 1.429247928368713
Energy: 1.4362800482201572
Energy: 1.4292479283700046
Energy: 1.7820469581337515
Energy: 1.428686518311053
Energy: 1.794387565799282
Energy: 1.4286865183148987
Energy: 1.7910708391328332
Energy: 1.6033899977491923
Energy: 1.8026811815247956
Energy: 1.6033899977491923
Energy: 1.788911425411098
Energy: 1.5976800768221358
Energy: 1.4412529100007583
Energy: 1.5976800768221358
Energy: 1.7788399839410864
Energy: 1.5979137081289752
Energy: 1.7801220970182663
Energy: 1.5979137081263919
Energy: 2.122708453217982
Energy: 1.5981030485364138
Energy: 1.784818149828552
Energy: 1.5981030485415515
Energy: 1.7923424134100392
Energy: 1.4622641804464183
Energy: 1.4704188196712928
Energy: 1.46226418044771
Energy: 1.7892161410133776
Energy: 1.458588084882767
Energy: 1.4606986206884471
Energy: 1.458588084887934
Energy: 1.7796026704541084
Energy: 1.4600434852276354
Energy: 1.4586926734395864
Energy: 1.4600434852276354

minimum gb energy = 1.428686518311053 eV
minimum distance =  2.21229676217717 Angstroms
sigma value = 25


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

Energy: 2.4249716101963523
Energy: 1.2364770150672166
Energy: 1.7509339783934947
Energy: 1.237469705820514
Energy: 2.312517342545747
Energy: 1.2332377296242343
Energy: 1.775265090581857
Energy: 1.233237729622217
Energy: 2.3104402535146904
Energy: 1.2363327685715706
Energy: 1.7792295886158978
Energy: 1.2363327685715706
Energy: 2.3273946651477475
Energy: 1.2374269790671386
Energy: 1.7783510548036532
Energy: 1.2374269790661756
Energy: 2.3222366311133364
Energy: 1.3717680448228058
Energy: 2.323071436711368
Energy: 1.3717680448228058
Energy: 2.3151036650886097
Energy: 1.3688421361566154
Energy: 2.3233727940950675
Energy: 1.3688421361586327
Energy: 2.319816717765037
Energy: 1.3718747900706336
Energy: 2.322719806870132
Energy: 1.3718747900837462
Energy: 1.7775394216025124
Energy: 1.2350875153457133
Energy: 2.3203920500163493
Energy: 1.235087515346722
Energy: 1.781564633782886
Energy: 1.2351176583379584
Energy: 2.3271117031121658
Energy: 1.2351176583389671
Energy: 1.7757010797294397
Energy: 1.2335518053604382
Energy: 2.3261731691003686
Energy: 1.2335518053624555
Energy: 1.2418329819344955
Energy: 1.2366417422041065
Energy: 3.190860598086706
Energy: 1.236641742202089
Energy: 1.2340252348452954
Energy: 1.2340915214054027
Energy: 2.3259218925532466
Energy: 1.2340915214064114
Energy: 1.2366501084211523
Energy: 1.2359953001842987
Energy: 2.3117027821880454
Energy: 1.23599530018329
Energy: 1.2381013607943119
Energy: 1.2356346102326032
Energy: 2.310238327180261
Energy: 1.2356346102326032
Energy: 1.7818614275877838
Energy: 1.23395074493787
Energy: 2.32262854536663
Energy: 1.2339507449368612
Energy: 1.775118787902941
Energy: 1.233672569659191
Energy: 2.3104492135086514
Energy: 1.2336725696622173
Energy: 2.3233622287005455
Energy: 1.2360058664378324
Energy: 2.309855267406629
Energy: 1.236005866435815
Energy: 1.7829044325134318
Energy: 1.3673751360124253
Energy: 2.32130562337642
Energy: 1.3673751360124253
Energy: 2.32847123984738
Energy: 1.370270840373921
Energy: 2.319125826898741
Energy: 1.3702708403698862
Energy: 2.3255087447528218
Energy: 1.3697924871019367
Energy: 2.3168166779307238
Energy: 1.369792487103954
Energy: 2.3210415485333264
Energy: 1.2380012144490395
Energy: 1.7814138241252009
Energy: 1.2380012144520656
Energy: 2.32506895863521
Energy: 1.2332050369493202
Energy: 1.2357453744320606
Energy: 1.233205036952346
Energy: 2.325376059007891
Energy: 1.2354292620823464
Energy: 1.7736584767350285
Energy: 1.2354292620823464
Energy: 2.3255881793248627
Energy: 1.2358041438432827
Energy: 1.2375330940609366
Energy: 1.2358041438442915
Energy: 2.323089410367422
Energy: 1.2342284540895418
Energy: 1.2352955317747183
Energy: 1.2342284540885333
Energy: 2.310898412767281
Energy: 1.2341629848220779
Energy: 1.2353183331180257
Energy: 1.2341629848220779

minimum gb energy = 1.2332050369493202 eV
minimum distance =  2.22065891251097 Angstroms
sigma value = 41


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

Energy: 2.9167380043772204
Energy: 1.095838232169555
Energy: 1.6257342994754942
Energy: 1.0987113358419527
Energy: 2.836332922533882
Energy: 1.0949639238749325
Energy: 1.5502247804940805
Energy: 1.0949639238732787
Energy: 2.8578276625852816
Energy: 1.0932234890647794
Energy: 1.553523194826951
Energy: 1.0932234890631256
Energy: 2.853666647062592
Energy: 1.0966829143315184
Energy: 2.0188280186257486
Energy: 1.0966829143331722
Energy: 2.843214716883202
Energy: 1.092398707204785
Energy: 2.4298758084920618
Energy: 1.0923987072254584
Energy: 2.842201945857345
Energy: 1.0966831866720481
Energy: 2.424176770259164
Energy: 1.0966831866778366
Energy: 2.847893943089769
Energy: 1.2091637537955953
Energy: 2.843504719642187
Energy: 1.2091637537955953
Energy: 2.4316917052493143
Energy: 1.20497942101276
Energy: 2.4340864230166206
Energy: 1.2049794210210294
Energy: 2.007668843228945
Energy: 1.0935597738530152
Energy: 2.848871892684029
Energy: 1.0935597738571499
Energy: 2.0049844491188105
Energy: 1.092829665218454
Energy: 2.846876092937286
Energy: 1.092829665218454
Energy: 1.5560066837375295
Energy: 1.0948396348173108
Energy: 2.839362660360607
Energy: 1.0948396348206184
Energy: 1.5537152233197544
Energy: 1.0934445657714509
Energy: 2.846688330912361
Energy: 1.0934445657714509
Energy: 1.549622140805091
Energy: 1.0933189437675936
Energy: 2.848119243211905
Energy: 1.0933189437667667
Energy: 1.0992187096652957
Energy: 1.0943654680258095
Energy: 2.838875745831629
Energy: 1.0943654680291175
Energy: 1.0967821401376097
Energy: 1.0954548371292505
Energy: 2.8434189469270215
Energy: 1.0954548371284234
Energy: 1.0969995060995439
Energy: 1.0942565697325914
Energy: 2.8358897551438216
Energy: 1.0942565697350721
Energy: 1.5534351092172667
Energy: 1.0944181651989378
Energy: 2.8339735386499485
Energy: 1.094418165198111
Energy: 1.5558951508919783
Energy: 1.0942395483214633
Energy: 2.8427999529394317
Energy: 1.0942395483214633
Energy: 1.5530740545740112
Energy: 1.0942340065249703
Energy: 2.844776948496568
Energy: 1.0942340065208358
Energy: 2.422023557689214
Energy: 1.09463957707361
Energy: 2.8416930472565247
Energy: 1.0946395770975912
Energy: 2.421118808156356
Energy: 1.0945042790003372
Energy: 2.842619984860875
Energy: 1.094504279001991
Energy: 2.4230365330606043
Energy: 1.2043875521833907
Energy: 2.851103005278208
Energy: 1.2043875521833907
Energy: 2.8507899790660116
Energy: 1.2045239190446793
Energy: 2.838217431623998
Energy: 1.2045239190471602
Energy: 2.4327946882955165
Energy: 1.2055825065093304
Energy: 2.4222418954230607
Energy: 1.2055825065068497
Energy: 2.843247708146586
Energy: 1.0935057885238348
Energy: 2.016057725307595
Energy: 1.0935057885238348
Energy: 2.8570907011140636
Energy: 1.093908410128693
Energy: 2.420474230405046
Energy: 1.093908410125385
Energy: 2.839087715265215
Energy: 1.0940621507932182
Energy: 1.5519685849113922
Energy: 1.0940621507915644
Energy: 2.841769284287472
Energy: 1.09586857489388
Energy: 1.555969437842733
Energy: 1.0958685749004953
Energy: 2.8388130359546637
Energy: 1.0936779731640547
Energy: 1.5524447276729232
Energy: 1.0936779731657085
Energy: 2.8459930879650783
Energy: 1.0955608116716804
Energy: 1.0975253818874215
Energy: 1.0955608116716804
Energy: 2.8448623058853664
Energy: 1.0947574463983079
Energy: 1.0962080842256088
Energy: 1.094757446395827
Energy: 2.8331282322146354
Energy: 1.0961210844271032
Energy: 1.0988105444422036
Energy: 1.0961210844262763

minimum gb energy = 1.092398707204785 eV
minimum distance =  2.2246029754108 Angstroms
sigma value = 15


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

Energy: 3.2209961979785415
Energy: 0.9907110250212692
Energy: 1.5340342281544381
Energy: 0.9938549939584133
Energy: 3.1972910905249265
Energy: 0.9887047759012695
Energy: 1.3800358366300118
Energy: 0.9887047759033711
Energy: 3.2176749698175864
Energy: 0.9886167622882204
Energy: 1.3808594165651873
Energy: 0.9886167622910225
Energy: 3.216507428837505
Energy: 0.9885714539471403
Energy: 2.144030016867694
Energy: 0.9885714539471403
Energy: 3.203937780087458
Energy: 0.9866159173253806
Energy: 2.140000138816143
Energy: 0.9866159173197763
Energy: 3.2055149338142384
Energy: 0.988517928018572
Energy: 2.1326857318735057
Energy: 0.9885179280178714
Energy: 2.4999853605941005
Energy: 0.9884023046035506
Energy: 2.84659233439063
Energy: 0.9884023045993474
Energy: 2.8518569067015758
Energy: 1.0891464114613865
Energy: 2.144500185905223
Energy: 1.0891464114536806
Energy: 2.498352538671129
Energy: 1.0832184399731797
Energy: 2.8460024239645407
Energy: 1.0832184399759819
Energy: 2.495409979742624
Energy: 1.0827430855462754
Energy: 3.2064118750349606
Energy: 1.082743085551179
Energy: 2.1417849012961336
Energy: 0.9888005080961415
Energy: 2.8680175412432845
Energy: 0.9888005080940399
Energy: 1.7766312410607237
Energy: 0.9863848534152146
Energy: 3.20934864703401
Energy: 0.9863848534138137
Energy: 2.1349845552453255
Energy: 0.9871132602540992
Energy: 3.213151280019251
Energy: 0.9871132602533986
Energy: 1.3857301144872907
Energy: 0.9887632937285095
Energy: 2.8599607365434694
Energy: 0.9887632937348143
Energy: 1.3878118198547247
Energy: 0.9874527471850781
Energy: 3.203613876269014
Energy: 0.9874527471843777
Energy: 1.387544067817659
Energy: 0.9907911658028828
Energy: 3.2142147798420204
Energy: 0.9907911658007812
Energy: 0.9929408728598843
Energy: 0.988224638585204
Energy: 3.22393879310261
Energy: 0.9882246385880062
Energy: 0.9895008883696397
Energy: 0.9873207929552077
Energy: 3.2050988655709722
Energy: 0.9873207929552077
Energy: 0.9920015860763418
Energy: 0.9896885951391005
Energy: 3.2098780672220504
Energy: 0.9896885951334962
Energy: 1.38622212255853
Energy: 0.9886386177384364
Energy: 3.2346102193657105
Energy: 0.9886386177419392
Energy: 1.3860110071151064
Energy: 0.9875174007320598
Energy: 3.205391060601999
Energy: 0.9875174007341615
Energy: 1.3844375940516114
Energy: 0.9884467851966765
Energy: 3.213879899007682
Energy: 0.9884467851973769
Energy: 2.1325802403586605
Energy: 0.9876242534170565
Energy: 3.2011030940776632
Energy: 0.9876242534184576
Energy: 2.144214831734898
Energy: 0.9866137858987991
Energy: 3.2078619490285596
Energy: 0.986613785897398
Energy: 2.1433227454102526
Energy: 0.9926576113650398
Energy: 2.50708103802357
Energy: 0.9926576113657403
Energy: 2.8522357362603663
Energy: 1.0827197857831554
Energy: 3.2085643796178727
Energy: 1.0827197857817543
Energy: 2.137767998385752
Energy: 1.0835230712202502
Energy: 2.8481069697589905
Energy: 1.0835230712160469
Energy: 2.8537917066963656
Energy: 1.0896225349962314
Energy: 2.5073031590386465
Energy: 1.089622535010242
Energy: 2.8535955845606336
Energy: 0.9879484112354898
Energy: 2.8485093091057365
Energy: 0.9879484112361903
Energy: 2.8507971627503084
Energy: 0.9888576111961448
Energy: 2.1347910850577048
Energy: 0.988857611201749
Energy: 3.2045652129535895
Energy: 0.9863343178503654
Energy: 1.7765007418101748
Energy: 0.9863343178552691
Energy: 2.8586023945793673
Energy: 0.9919431584605979
Energy: 2.1423678354642894
Energy: 0.9919431584605979
Energy: 3.2143371843435053
Energy: 0.988700570025823
Energy: 1.3825027763258642
Energy: 0.9887005700279247
Energy: 3.2074722956797563
Energy: 0.9885920493082092
Energy: 1.382581359630105
Energy: 0.9885920493082092
Energy: 3.196486184588367
Energy: 0.9885041470784323
Energy: 0.9962870501162756
Energy: 0.9885041470763307
Energy: 3.205283567749432
Energy: 0.9887434752486046
Energy: 0.9904303546577812
Energy: 0.9887434752472036
Energy: 3.214543541862985
Energy: 0.9891226585663583
Energy: 0.9913921310300184
Energy: 0.9891226585600535

minimum gb energy = 0.9863343178503654 eV
minimum distance =  2.22627554927671 Angstroms
sigma value = 85


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

Energy: 3.636771036642573
Energy: 0.43040057425277534
Energy: 1.1903309500680763
Energy: 0.8809014932318452
Energy: 3.4488376571703103
Energy: 0.8774198672026023
Energy: 1.2263043675421308
Energy: 0.8774198672038175
Energy: 3.4470233345873864
Energy: 0.8772776841605445
Energy: 1.22680783254788
Energy: 0.8772776841629749
Energy: 2.9787296367963387
Energy: 0.8797337103521409
Energy: 1.8928455816604182
Energy: 0.8797337103478877
Energy: 3.4492607746015667
Energy: 0.8764348146533957
Energy: 1.896760740228466
Energy: 0.8764348146515729
Energy: 2.987171815332773
Energy: 0.8788653847255707
Energy: 1.8926372046347457
Energy: 0.878865384723748
Energy: 2.9818069357700927
Energy: 0.8784100733691868
Energy: 2.5264717825710226
Energy: 0.8784100733710093
Energy: 3.1489509305607815
Energy: 0.878551864909554
Energy: 2.044548041032085
Energy: 0.8785518648700895
Energy: 2.9851047906949106
Energy: 0.8774016474251151
Energy: 2.522259795447615
Energy: 0.8774016474287604
Energy: 2.984976302820268
Energy: 1.057387996716999
Energy: 3.1374312244556575
Energy: 1.0573879967127462
Energy: 2.5318604612900324
Energy: 0.8745035522557382
Energy: 2.6745450953106245
Energy: 0.8745035522441944
Energy: 2.363023359347803
Energy: 0.8740263579932174
Energy: 3.137365292416747
Energy: 0.8740263580005082
Energy: 2.524496146908731
Energy: 0.8742126052340128
Energy: 3.292562925725784
Energy: 0.8742126052346204
Energy: 1.901592055422429
Energy: 0.8742801017523585
Energy: 2.671009434188745
Energy: 0.8742801017511433
Energy: 1.7289102372518723
Energy: 0.8748805440455147
Energy: 3.302166313000172
Energy: 0.8748805440449072
Energy: 1.8967309881209726
Energy: 0.8736662089538556
Energy: 3.285811994952622
Energy: 0.8736662089562859
Energy: 1.2200745443600831
Energy: 0.8750793523354339
Energy: 3.2857797632145282
Energy: 0.8750793523415095
Energy: 1.2176932816088635
Energy: 0.8724083459496863
Energy: 3.4440455737348907
Energy: 0.8724083459502939
Energy: 1.2179761251829928
Energy: 0.8733144581764165
Energy: 3.441843694584148
Energy: 0.8733144581733787
Energy: 1.0508433752175457
Energy: 0.8727170354536121
Energy: 3.4417482819862855
Energy: 0.8727170354523971
Energy: 1.0502550439291045
Energy: 0.8722033746044615
Energy: 3.441821411322283
Energy: 0.8722033746050692
Energy: 1.0526764969891813
Energy: 0.8743129365252941
Energy: 3.4362483721181114
Energy: 0.8743129365259017
Energy: 1.4000110129853731
Energy: 0.8731808317217776
Energy: 3.4389737635162017
Energy: 0.8731808317217776
Energy: 1.4011060053811706
Energy: 0.8720725232700934
Energy: 3.441061304556829
Energy: 0.872072523266448
Energy: 1.3983539902995743
Energy: 0.8786879557484624
Energy: 2.978646517794729
Energy: 0.8786879557466396
Energy: 1.8801413551481803
Energy: 0.8726969094925452
Energy: 3.44662168924296
Energy: 0.8726969094961906
Energy: 1.8829302594484056
Energy: 0.8721495249007355
Energy: 3.4504038706937825
Energy: 0.8721495249013431
Energy: 1.8813871398429662
Energy: 0.8760032223507901
Energy: 2.9822282234839195
Energy: 0.8760032223489673
Energy: 2.5325308465333465
Energy: 0.8738069812714848
Energy: 3.4405833515702535
Energy: 0.8738069812763178
Energy: 2.5273340552990264
Energy: 0.8720284243130133
Energy: 2.988260061105695
Energy: 0.8720284243178738
Energy: 2.8397784629292095
Energy: 1.0546821463143556
Energy: 2.3585725865031066
Energy: 1.0546821463307599
Energy: 2.674229324469603
Energy: 1.0564373765612598
Energy: 2.995936645904658
Energy: 1.0564373765594373
Energy: 3.14406500873723
Energy: 1.2274905977895272
Energy: 2.366742344636657
Energy: 1.2274905977870967
Energy: 3.4519667545132533
Energy: 0.8766536082416412
Energy: 2.3686360336434595
Energy: 0.8766536082386034
Energy: 2.670522211318087
Energy: 0.8798582898955748
Energy: 1.8923036163230722
Energy: 0.8798582898991927
Energy: 3.4470225135687453
Energy: 0.8767261250058758
Energy: 1.895060739036517
Energy: 0.8767261250083062
Energy: 3.4453276108842377
Energy: 0.8786796637225612
Energy: 1.8918475761826257
Energy: 0.8786796637201312
Energy: 3.2860818870964104
Energy: 0.8808486835078394
Energy: 1.2305593283393643
Energy: 0.8808486835090545
Energy: 3.4515249650991877
Energy: 0.8767076897575348
Energy: 1.2292072338705464
Energy: 0.8767076897605727
Energy: 3.4418478044832486
Energy: 0.8790658256020711
Energy: 1.2303644691773792
Energy: 0.8790658256038939
Energy: 3.2828010462511203
Energy: 0.8793923242553973
Energy: 0.8798933489339142
Energy: 0.8793923242511443
Energy: 3.4485354608985066
Energy: 0.8768151139659317
Energy: 0.8777722484357986
Energy: 0.8768151139641366
Energy: 3.446557152580435
Energy: 0.8787151930200334
Energy: 0.8790252193633976
Energy: 0.8787151930157804

minimum gb energy = 0.43040057425277534 eV
minimum distance =  2.21661201134556 Angstroms
sigma value = 113


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

Energy: 0.019487074491396278
Energy: 0.020616424169576018
Energy: 3.084545514691439
Energy: 0.7725676664292879
Energy: 0.020706402032548636
Energy: 0.20062891684220766
Energy: 2.4680183237191775
Energy: 0.20062891684314177
Energy: 0.020691891124001868
Energy: 0.19817286713078136
Energy: 2.4702345106732007
Energy: 0.19817286713166357
Energy: 0.022154465527350627
Energy: 0.19998403212422589
Energy: 2.4710961026274645
Energy: 0.1999840321274435
Energy: 2.4712892756759888
Energy: 0.19818592995686538
Energy: 2.4701201606112306
Energy: 0.1981859299563983
Energy: 0.020449767882805094
Energy: 0.19815206490921902
Energy: 2.4661191288126023
Energy: 0.19815206490921902

minimum gb energy = 0.019487074491396278 eV
minimum distance =  2.45469420023731 Angstroms
sigma value = 1