Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Al__MO_279544746097_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.039798453450203
cohesive_energy=2.8885682080333717
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.5056214591519898e-19, 2.0394747244839598e-19, 2.4380321839578e-19, 2.7578266401041997e-19, 3.0273287717093396e-19, 3.2568886398288595e-19, 3.45506186768832e-19, 3.6276803782354794e-19, 3.7786534824572995e-19, 3.9110253159583794e-19, 4.0281924932028003e-19, 4.1312765378343593e-19, 4.2215271476275795e-19, 4.3001940203569794e-19, 4.368606962628779e-19, 4.4276952368907e-19, 4.47787540906758e-19, 4.5198203933457e-19, 4.55405890801428e-19, 4.58123182372692e-19, 4.602012054669899e-19, 4.616447666142239e-19, 4.624891137003419e-19, 4.62763085904756e-19, 4.624682854040999e-19, 4.61529409896576e-19, 4.59845522254242e-19, 4.57251598283796e-19, 4.53577807262034e-19, 4.48627081462974e-19, 4.4224080539985e-19, 4.3414500686824795e-19, 4.23907098176988e-19, 4.1109449163489e-19, 3.95170458069564e-19, 3.7546688982463196e-19, 3.5114104199061e-19, 3.2126845864967997e-19, 2.8439276124153597e-19, 2.38749953292144e-19, 1.8202488956537398e-19, 1.112521013293554e-19, 2.22513495283188e-20, -9.064009893294539e-20, -2.3527162781973e-19, -4.2323418399070797e-19, -6.715058730187139e-19, -1.00609482820347e-18, -1.4683644437049537e-18, -2.12690550340134e-18, -3.1030796829648597e-18, -4.630739081717519e-18, -7.20260107991334e-18, -1.202935045103442e-17]
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: 0.010925127785938415
Energy: 0.5823385785823946
Energy: 0.3102447362925477
Energy: 0.8213956292789911
Energy: 0.8175316571205566
Energy: 0.287871593903976
Energy: 0.01119350959971169
Energy: 0.06309335111919244
Energy: 0.575336822428505
Energy: 0.06377697588848182
Energy: 0.15088882704383502
Energy: 0.5707463356063641
Energy: 0.012349505609175195
Energy: 0.06458032361870532
Energy: 0.01129224295493475
Energy: 0.57519776621479
Energy: 0.1510697809099785
Energy: 0.15092758369649856
Energy: 0.5715406302965375
Energy: 0.06317872496919613
Energy: 0.06436720990650861
Energy: 0.012969070079597156
Energy: 0.5782176690411766
Energy: 0.15138244082626665
Energy: 0.5710101249371472
Energy: 0.5750378102609683
Energy: 0.06354882470400673
Energy: 0.011904835366366443
Energy: 0.06352188366528022
Energy: 0.5749435384011603
Energy: 0.06363926139681454
Energy: 0.15112265055682175
Energy: 0.5705346706209917
Energy: 0.011835304620026648
Energy: 0.064763422608789
Energy: 0.011203274543747711
Energy: 0.5733453272582291
Energy: 0.15074512440545426
Energy: 0.1512821929332229
Energy: 0.5726957798567192
Energy: 0.06304681088646495
Energy: 0.06424069440760405

minimum gb energy = 0.010925127785938415 eV
minimum distance =  2.8284274679254 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 0.9470929002377149
Energy: 0.9543612228957687
Energy: 0.978347427179643
Energy: 0.9533288620139975
Energy: 1.0356259478933596
Energy: 0.9653258095958939
Energy: 0.953260809447074
Energy: 0.9238753261023227
Energy: 1.000460028186576
Energy: 0.9430717464612568
Energy: 1.0375302262694477
Energy: 0.9584873402206734
Energy: 0.9536720203473708
Energy: 1.0020654715701156
Energy: 0.9340429798221479
Energy: 0.992600516133538
Energy: 0.9863852603714863
Energy: 0.9595379715171184
Energy: 0.9669132674871306
Energy: 0.9790022227747146
Energy: 0.9734507045786331
Energy: 0.9333384987604456
Energy: 1.0363942301894618
Energy: 0.9471777029190137
Energy: 0.957268293745856
Energy: 0.9449007779581963
Energy: 0.9334046274107067
Energy: 0.9862962445675247
Energy: 0.9379367358555922
Energy: 0.9772466642601162
Energy: 0.9461930764861658
Energy: 0.9393814495084455
Energy: 1.0019214064514157
Energy: 0.9873216523421329
Energy: 0.9768889976396243
Energy: 0.9917087431911558
Energy: 0.9934093156542627
Energy: 0.9345810958282211
Energy: 0.9819283370857835
Energy: 0.9687834049208276
Energy: 1.0206687251344728
Energy: 1.0519619868676973
Energy: 0.9309994516103621
Energy: 0.9670503532687269
Energy: 0.9676214529880565
Energy: 0.9399687315771746
Energy: 0.9318999106278215
Energy: 1.0274386460651996
Energy: 0.9678394464108238
Energy: 0.9377577652089174
Energy: 0.9504868150842838
Energy: 0.9853829548642862
Energy: 0.9959059130251338
Energy: 0.9464618037097704
Energy: 0.9633534643405613
Energy: 0.9998529062949263
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Energy: 0.9439578475495891
Energy: 0.9413624556160665
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Energy: 0.948017278358832
Energy: 0.9554494087627201
Energy: 0.9666247413075989
Energy: 1.0032632408695732
Energy: 0.9901011881214836
Energy: 0.9779370838281466
Energy: 0.9615597512813128
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Energy: 0.9569828247438636
Energy: 0.9489996392214564
Energy: 0.9417634418582203
Energy: 1.019145710472037
Energy: 0.9671936876242967
Energy: 0.9977167709423369
Energy: 0.9315769834727663
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Energy: 0.9606890639932517
Energy: 0.9378365947217969
Energy: 0.9882826832012317
Energy: 0.9298960064632467
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Energy: 0.9997041989570123
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Energy: 0.9287577619418289
Energy: 0.9744912315194496
Energy: 0.9271952423849104
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Energy: 0.9461087086110901
Energy: 0.9670675697258714
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Energy: 0.9226226492084219
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Energy: 0.9337885865596796
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Energy: 0.9625020314680577
Energy: 0.9279906843112747
Energy: 0.9857034151842347
Energy: 0.9711877970476693
Energy: 0.9859924685549076
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Energy: 0.9891044275006989
Energy: 0.9614882401137216
Energy: 1.010289963096404
Energy: 0.9457709558088799
Energy: 0.9663093838913085
Energy: 0.9613500202388431
Energy: 0.9245559499506705
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Energy: 0.9449148861987369
Energy: 0.9430781889712774
Energy: 0.9521734992787639
Energy: 0.9574033651384621
Energy: 0.9504354040513423
Energy: 0.9368733375500562
Energy: 0.985582270836394
Energy: 0.9207284335046848
Energy: 0.9946216593443816
Energy: 0.9413226686459657
Energy: 1.0372270566785082
Energy: 0.9952677116009315
Energy: 0.9366322886307084
Energy: 0.9845068378503108
Energy: 0.9385313713568818
Energy: 0.9940320752675246
Energy: 0.9919806475658508
Energy: 0.9603569935423848
Energy: 0.9791148549475052
Energy: 0.9797684350724154
Energy: 0.9769550414457343
Energy: 0.9287166041669564
Energy: 0.989225888294854
Energy: 0.9466265109332845
Energy: 0.981806688734802
Energy: 0.9539359721910524
Energy: 0.9610919609104469
Energy: 0.966592949979597
Energy: 0.9528912623706227
Energy: 0.9860693002334286
Energy: 0.9463353504665984
Energy: 0.9519231537772311
Energy: 0.932992602006026
Energy: 0.946671869705589
Energy: 0.9857818742284006
Energy: 0.9526572221846826
Energy: 0.9919735452412228
Energy: 0.94665143515942
Energy: 0.9812655763939501
Energy: 0.9336907591863264
Energy: 0.950862815413513
Energy: 0.9577978706121495
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Energy: 0.9705762087207882
Energy: 0.9587838262704305
Energy: 1.0141873433350352
Energy: 0.9669529279949091
Energy: 0.9622533024009499
Energy: 0.967459000598332
Energy: 0.928423971346908
Energy: 0.9677082686931954
Energy: 0.9499266198674455
Energy: 0.9772738115138496
Energy: 0.9536613176095529
Energy: 0.9914243693271965
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Energy: 0.9861179235988342
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Energy: 0.952267552934926
Energy: 0.984412045207699
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Energy: 1.0100710820762575
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Energy: 0.9465980387048091
Energy: 0.9398255163491236
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Energy: 0.9438504776459891
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Energy: 0.9943307896166167
Energy: 0.937891652479223
Energy: 0.9345597890747745
Energy: 0.9975562757588063
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Energy: 0.948965805835539
Energy: 0.954304693851316
Energy: 0.921726957535182
Energy: 0.9531882163316354
Energy: 1.0245177826732714
Energy: 0.9550601812128046
Energy: 1.0014544672231465
Energy: 0.9974629632022599
Energy: 0.966913650583582
Energy: 0.9363695259802214
Energy: 0.9506323593005119
Energy: 0.9388985392132911
Energy: 0.9400865619157103
Energy: 0.9469613683615196
Energy: 1.0225664378030441
Energy: 0.9527362509273899
Energy: 0.9468510022396386
Energy: 0.9874037545572962
Energy: 0.931062363738927
Energy: 0.9859644020923897
Energy: 0.9298572719195074
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Energy: 0.9766148160858316
Energy: 0.9422227047381708
Energy: 0.9299057624818909
Energy: 0.9393535556642143
Energy: 0.9267898498588268
Energy: 0.978586007859189
Energy: 0.9640898939319537
Energy: 0.9663960891341019
Energy: 1.0090442051805597
Energy: 0.9390110297846891
Energy: 0.9634033158368205
Energy: 0.9223116969796661
Energy: 0.9892793655835795
Energy: 0.9943000201659427
Energy: 0.941804785038544
Energy: 0.9444268476462095
Energy: 0.945149202105033
Energy: 0.932605048018645
Energy: 0.9719538935021382
Energy: 0.9834113709825723
Energy: 0.9531192736754164
Energy: 0.9811079655493246
Energy: 0.9296328153753366
Energy: 0.9374303922619879
Energy: 1.0223853658301911
Energy: 0.9247243375217059
Energy: 0.9925750743402684
Energy: 0.9367626897934754
Energy: 0.9513186619419064
Energy: 0.9683246216064745
Energy: 0.9193949617325622
Energy: 0.9873907249833443
Energy: 0.9415131645272156
Energy: 1.0079277528303174
Energy: 1.05411029034103
Energy: 0.9338498367204223
Energy: 0.9763715705838742
Energy: 0.9631591744683401
Energy: 0.9486160504047492
Energy: 0.9855712779437463
Energy: 0.9467823990038439
Energy: 0.9680299390653231
Energy: 0.9191625619644904
Energy: 0.9608674873861792
Energy: 0.945820613524511
Energy: 0.9518522855692425
Energy: 0.9230956963290508
Energy: 0.9552085516431855
Energy: 1.0503428282131027
Energy: 0.9677369709332151
Energy: 0.9694272817916222

minimum gb energy = 0.9191625619644904 eV
minimum distance =  2.522217257112 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.9745505207201257
Energy: 0.9418524078569167
Energy: 0.9093087453928005
Energy: 0.9882510732235651
Energy: 0.9622517012621316
Energy: 0.9787737891075978
Energy: 0.9681951685492022
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Energy: 0.9760991424238894
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Energy: 1.0699988847161894
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Energy: 0.9248798978371265
Energy: 0.9780633156147011
Energy: 0.9417100239680642
Energy: 0.9492206619945013
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Energy: 0.9411332059342383
Energy: 0.9690748910178141
Energy: 1.0232325113352376
Energy: 0.9549476276083065
Energy: 0.9909192217837245
Energy: 0.9446329485529684
Energy: 0.9744818737556884
Energy: 0.9973933806473955
Energy: 0.9626063705884321
Energy: 0.9996472492163492
Energy: 0.9128841743347447
Energy: 0.9590972627428369
Energy: 0.9347724677169976
Energy: 0.9623152441021833
Energy: 0.9222159182850425
Energy: 1.068041725316542
Energy: 1.0438031315173861
Energy: 0.912164778356801
Energy: 0.9522461387576033
Energy: 0.9356846039997726
Energy: 0.9596949626666401
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Energy: 0.9759246863135252
Energy: 1.069124949186842
Energy: 0.9538521190274458
Energy: 0.9522046238438029
Energy: 0.9460107594047854
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Energy: 0.9159162236449926
Energy: 1.0261855594502411
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Energy: 0.9530278116133333
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Energy: 1.0374061147101072
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Energy: 0.9243360169862588
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Energy: 0.9241531489206364
Energy: 0.9659430956332012
Energy: 1.1306747370252739
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Energy: 0.9698596265538348
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Energy: 0.9516020017877033
Energy: 0.9710785347706372
Energy: 0.9143893984362198
Energy: 0.9633310796375095
Energy: 0.9153934168248145
Energy: 0.9680063224866718
Energy: 0.9346200238460851
Energy: 0.9804445333397603
Energy: 0.9707467805949892
Energy: 1.0735139586079383
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Energy: 0.9271293973392315
Energy: 1.009976367491157
Energy: 0.9424102734209303
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Energy: 0.9949634751836937
Energy: 1.0345518130507638
Energy: 0.964177737705441
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Energy: 0.9538760285970036
Energy: 0.9511497440730942
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Energy: 1.002068975934098
Energy: 0.9251789129170168
Energy: 0.9279063447887007
Energy: 0.9681065872972952
Energy: 0.9131177380999835
Energy: 0.9517618646093877
Energy: 0.936097324259046
Energy: 0.9670307189825019
Energy: 0.9155915182981965
Energy: 0.9660726100798166
Energy: 1.1320651846682888
Energy: 0.911679498031569
Energy: 0.9591593149768896
Energy: 0.934907540290321
Energy: 0.9356197672265038
Energy: 0.9220420098080268
Energy: 0.9629286217786076
Energy: 0.9855659895525083
Energy: 0.9554457433441955
Energy: 0.991802446087369
Energy: 0.944099876945028
Energy: 0.9503092729852902
Energy: 0.9193999344728685
Energy: 0.9634231659185053
Energy: 0.9809910379882838
Energy: 0.9568477463531346
Energy: 0.9573845337257744
Energy: 0.9492662812810376
Energy: 0.9759337780145388
Energy: 0.9238739444107518
Energy: 0.9671075879022717
Energy: 1.0484643322557057
Energy: 0.9343663901046856
Energy: 0.9460531667132916
Energy: 0.9769368709708732
Energy: 0.9996438427431236
Energy: 0.9257787490728109
Energy: 0.9255011329221168
Energy: 0.9676518747719327
Energy: 0.9446415625118574
Energy: 0.9481550681010976
Energy: 0.9580349362644554
Energy: 0.9953243469953736
Energy: 0.9945803983094599
Energy: 0.9528155985149064
Energy: 0.9684408440339914
Energy: 0.9347180034009556
Energy: 0.979208318606063
Energy: 0.9700023825160363
Energy: 1.0679503461477347
Energy: 0.9875742401555867
Energy: 0.9165355195134979
Energy: 0.9692815494674984
Energy: 0.9348420248508268
Energy: 0.951573329672157
Energy: 0.9689816275688232
Energy: 1.0523604430450892
Energy: 0.9642573898111221
Energy: 0.9239816834751583
Energy: 0.9679563460904864
Energy: 0.9413233863233167
Energy: 0.9527566880282721
Energy: 0.9564187527406393
Energy: 0.9154143154971204
Energy: 1.013259390778644
Energy: 0.9654666907316822
Energy: 0.976225294486266
Energy: 0.9536649698829847
Energy: 0.9487930157084835
Energy: 0.9447044481752097
Energy: 1.0053387489605725
Energy: 0.9265409723679404
Energy: 0.9264139104711112
Energy: 1.0178655099400142
Energy: 0.9161370476339684
Energy: 0.9598406846663061
Energy: 0.9372823630595557
Energy: 0.975004732791127
Energy: 0.9433062807612718
Energy: 0.9313942815650297
Energy: 1.1131560754877075
Energy: 0.9129706539183735
Energy: 0.9799561051171354
Energy: 0.9361915447677038
Energy: 0.9383106456135247
Energy: 0.9208273041834941
Energy: 0.9660985821344711
Energy: 0.9843638698111421
Energy: 0.9152931042423621
Energy: 0.9930948195075454
Energy: 0.9432426957127666
Energy: 0.9754600762582755
Energy: 0.9215005802189753
Energy: 0.9626171220480476
Energy: 0.9792730439705113
Energy: 0.9564317044294258
Energy: 0.9578712203265376
Energy: 0.9443526701474506
Energy: 0.9759177282967946
Energy: 0.926443968083916
Energy: 0.9685512389409726
Energy: 1.0481059361921554
Energy: 0.9347477927618899
Energy: 0.9574947353115159
Energy: 0.9735343044811756
Energy: 0.9674503440811162
Energy: 0.9635686446216859
Energy: 0.9252874669080264
Energy: 0.9746267649620974
Energy: 0.9439971857956221
Energy: 0.9492858296436508
Energy: 0.956551843855965
Energy: 0.9138176242122894
Energy: 0.9934682647572152
Energy: 0.9186709387936582
Energy: 0.9703925386092599
Energy: 0.9362325326369698
Energy: 0.9767834164001505
Energy: 0.9677019415776651
Energy: 1.068418150661779
Energy: 0.9273235743522187
Energy: 0.9081272342009747
Energy: 0.9782335235006914

minimum gb energy = 0.9081272342009747 eV
minimum distance =  2.5386340635438 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.0058501515682867
Energy: 1.0224384974446734
Energy: 1.008519950361939
Energy: 1.0188235035046593
Energy: 0.9839517282599398
Energy: 1.0022725140197588
Energy: 1.0006732652609536
Energy: 0.9846524727121518
Energy: 0.9724889997751279
Energy: 1.004915294816338
Energy: 0.9473991375260162
Energy: 0.9957549264754034
Energy: 0.9635047500553182
Energy: 0.9980776859697403
Energy: 0.9675292340284051
Energy: 1.0037797733965201
Energy: 0.9734034959058294
Energy: 0.9693150511072854
Energy: 0.9864449687430679
Energy: 1.0308387390888514
Energy: 0.9952028894170857
Energy: 0.994641152274525
Energy: 0.9775212198976423
Energy: 0.9898351797774921
Energy: 0.9845633462721043
Energy: 1.023217710652157
Energy: 1.009397876181529
Energy: 1.0046637107317755
Energy: 0.9667379709747691
Energy: 0.975085763117274
Energy: 0.9872861240160196
Energy: 0.971830473038294
Energy: 0.9645069939586994
Energy: 0.9628297158380176
Energy: 0.9656824330120433
Energy: 0.9866454985137361
Energy: 0.9789183444759538
Energy: 0.9719187345443714
Energy: 0.9954742481660804
Energy: 0.9931000296825171
Energy: 0.9958520278125157
Energy: 0.9706656317388013
Energy: 1.010056301021855
Energy: 1.0235414264235685
Energy: 0.9625510942512738
Energy: 1.0024237535457339
Energy: 1.0474061891972481
Energy: 0.975991745877748
Energy: 0.9924361282492762
Energy: 0.9941351806613022
Energy: 0.9766573422118489
Energy: 0.9813230080555495
Energy: 0.987499465434567
Energy: 1.0332541034650908
Energy: 0.9719407220419853
Energy: 1.0098177164770747
Energy: 0.9929351379063691
Energy: 1.003656370102915
Energy: 0.9653186635148527
Energy: 1.00694963437493
Energy: 0.9848473844373845
Energy: 0.9610134571612035
Energy: 0.9763006100147278
Energy: 0.9895591701827693
Energy: 1.0087163564363335
Energy: 0.9940523650522737
Energy: 0.9789280829192748
Energy: 0.9689059334173696
Energy: 0.984977880324167
Energy: 0.9815806394033858
Energy: 0.9697647936270667
Energy: 0.9404121394476058
Energy: 0.9667266416544802
Energy: 0.9896584703623466
Energy: 1.0026104564547327
Energy: 0.9684302391703307
Energy: 0.9662772346184737
Energy: 0.9983083893186868
Energy: 0.9768882828189193
Energy: 0.972299430209178
Energy: 0.9471638859191605
Energy: 0.9642531224010222
Energy: 0.9647706941980123
Energy: 0.9605746925021836
Energy: 1.0067179935011614
Energy: 0.9871455295082835
Energy: 0.974708447762369
Energy: 0.9867432757842646
Energy: 0.9735750796588646
Energy: 0.9859034082764596
Energy: 1.0011023205169478
Energy: 0.9944027668081447
Energy: 0.9873556552917022
Energy: 0.9932674743728569
Energy: 1.0069268233123805
Energy: 1.0418636301123094
Energy: 0.9828231762123868
Energy: 1.0465331162927876
Energy: 0.995666211987233
Energy: 1.0181488155859204
Energy: 0.9705820658724194
Energy: 0.982656450925864
Energy: 0.9936812942318283
Energy: 0.9606404695682601
Energy: 1.0016156214995169
Energy: 1.0007454101653601
Energy: 0.9784013840836211
Energy: 0.9986775464008725
Energy: 0.9893745895298038
Energy: 0.9817703148037694
Energy: 0.9609819007448552
Energy: 0.9796718090797146
Energy: 0.9650987511504772
Energy: 0.9584939705976832
Energy: 0.9867953422146425
Energy: 1.003796407928995
Energy: 0.9608591967531335
Energy: 0.967058904196948
Energy: 0.981334970592999
Energy: 0.9507569813019764
Energy: 0.9804814327373563
Energy: 0.9710000725373499
Energy: 0.9956751287051842
Energy: 0.9609555408105896
Energy: 0.962660799765782
Energy: 0.9691806440447182
Energy: 0.9912158421708279
Energy: 0.9935712785370989
Energy: 0.964559128552081
Energy: 1.0233502921892197
Energy: 0.9709944726564267
Energy: 0.9954724620902399
Energy: 1.0083826884242697
Energy: 0.9777383187721039
Energy: 0.9678235514503094
Energy: 0.9777658172244237
Energy: 0.9900783134721807
Energy: 1.0693940781774969
Energy: 0.9807989401775907
Energy: 1.0344002323480916
Energy: 0.9897683035694653
Energy: 0.9873086888220947
Energy: 0.9934602080611853
Energy: 1.0117892208038222
Energy: 0.9935213078136155
Energy: 0.9812910635924087
Energy: 0.995450633350668
Energy: 0.9946148772367218
Energy: 1.007756160280604
Energy: 0.9695929539501639
Energy: 0.9642897611761477
Energy: 0.9787195452672945
Energy: 0.9664750297749892
Energy: 0.9663371887193679
Energy: 0.9759773693974962
Energy: 0.9833413517182958
Energy: 1.0040244094183675
Energy: 0.9553666887774228
Energy: 0.9918171615860216
Energy: 1.0017140026662277
Energy: 0.9965869219842389
Energy: 1.004497160494008
Energy: 0.9665715214746898
Energy: 0.9794575053558533
Energy: 0.9544605144362988
Energy: 0.9660564573006619
Energy: 0.9779369165172056
Energy: 0.9951330957920581
Energy: 0.9908568598924475
Energy: 1.0035421205006307
Energy: 0.9906186067475935
Energy: 0.9913708449975955
Energy: 0.9698818195096962
Energy: 1.0029787746586483
Energy: 1.0047377042943415
Energy: 0.9937527630257262
Energy: 1.000516684898285
Energy: 0.9937067640547934
Energy: 0.9849643679579286
Energy: 1.0743604391258883
Energy: 1.0046743478793436
Energy: 1.054480426787146
Energy: 1.0038586269744996
Energy: 1.0181430048779168
Energy: 0.9928840460573081
Energy: 0.9878688754620664
Energy: 0.9753710380025178
Energy: 0.9813447366952777
Energy: 1.0438986491970765
Energy: 0.9876400072097521
Energy: 1.013758988863593
Energy: 0.9866034933059332
Energy: 0.9566348351981087
Energy: 0.9847959458717501
Energy: 0.975162684542924
Energy: 0.9984940302591591
Energy: 0.9786466002090876
Energy: 0.9777583378835198
Energy: 0.9855831376994689
Energy: 1.0099690001077497
Energy: 0.971058645578948
Energy: 0.9880445141584774
Energy: 0.9997733839845604
Energy: 1.021090067356873
Energy: 1.020957807748741
Energy: 1.0049095739794478
Energy: 0.9793013678065068
Energy: 0.9652859395990935
Energy: 0.9648451213508432
Energy: 1.0114019610717706
Energy: 0.9906253431322333
Energy: 0.9979063554131526
Energy: 0.9785418935144464
Energy: 0.992956646542042
Energy: 0.9642607730478693
Energy: 1.004772354220205
Energy: 1.0082336498294302
Energy: 1.0127603038782984
Energy: 1.0019869897770868
Energy: 1.0038742797653841
Energy: 1.0021890317693052
Energy: 1.0553684998301924
Energy: 0.9841335573163784
Energy: 1.0512139115986532
Energy: 1.0029782394624085
Energy: 1.0201409027016164
Energy: 0.9800902516206647
Energy: 0.9889455315280762
Energy: 0.9782234029123372
Energy: 0.985406491497614
Energy: 1.0205914187317195
Energy: 0.9895875481994298
Energy: 1.0113981286001708
Energy: 0.9758069739813899
Energy: 0.9568106774340231
Energy: 0.9754416986788308
Energy: 0.9920126728872216
Energy: 1.0127677281710408
Energy: 0.9950739150860461
Energy: 0.9811430945872968
Energy: 0.9789478408248579
Energy: 0.986716749420267
Energy: 0.9922917319019358
Energy: 1.0060372027819404
Energy: 1.0013694483623465
Energy: 1.0065539614132366
Energy: 0.9559776455155365
Energy: 1.0096700880891822
Energy: 0.9732397151541382
Energy: 0.971388947659034
Energy: 1.002326980168935
Energy: 1.0296879755747224

minimum gb energy = 0.9404121394476058 eV
minimum distance =  2.52853045305019 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.9220808803377745
Energy: 0.9967292311917076
Energy: 1.3585185015085484
Energy: 1.1396778096514766
Energy: 0.9613302531225885
Energy: 1.0279850174001168
Energy: 0.9107423916593627
Energy: 0.9728532682366337
Energy: 0.9883550148731594
Energy: 0.9323800074952523
Energy: 0.9745840496031574
Energy: 0.9827308317615129
Energy: 0.9699208374117858
Energy: 0.9669060718616019
Energy: 0.9694897794509997
Energy: 0.8863365961989405
Energy: 0.9315691531736764
Energy: 0.9775426037928063
Energy: 0.9869602309658655
Energy: 0.9693212906048784
Energy: 1.0152697755039208
Energy: 0.9689816038913294
Energy: 0.8845778517152896
Energy: 0.9341924216509714
Energy: 0.8832095821841208
Energy: 0.9857582858770741
Energy: 0.9338635329218882
Energy: 1.0386039034210817
Energy: 0.9875582220151372
Energy: 0.9812499349590816
Energy: 0.9864266092591127
Energy: 0.934423909376316
Energy: 0.9864664799142145
Energy: 0.9337872083061809
Energy: 0.9695545160420561
Energy: 0.9101597890235027
Energy: 0.9830137932163246
Energy: 0.9328116076917289
Energy: 0.8835484262401612
Energy: 0.9801063386082767
Energy: 0.969124284261191
Energy: 0.9730053582892146
Energy: 0.9698263674609211
Energy: 0.9580703648216888
Energy: 0.9323115794723232
Energy: 0.9849563756484893
Energy: 0.9114079380831235
Energy: 0.9126946858833149
Energy: 1.0042603189509125
Energy: 0.911908846512302
Energy: 0.9820255414188671
Energy: 1.0364366701306365
Energy: 0.8842146457698427
Energy: 1.0352843886373078
Energy: 0.9327676794925086
Energy: 1.0044895047667919
Energy: 0.9120714748932025
Energy: 0.9821384469362666
Energy: 1.0331484849198833
Energy: 0.8850124305132733
Energy: 0.9818733895243871
Energy: 0.9432044301343512
Energy: 0.9740533513780087
Energy: 0.9697468657430175
Energy: 0.8831185208459781
Energy: 0.9325535156448813
Energy: 0.9747961490611874
Energy: 0.9805788145656826
Energy: 0.9682125474681488
Energy: 0.9691317073174854
Energy: 0.9689183227170651
Energy: 0.9492282707117442
Energy: 0.9359922793772911
Energy: 0.8844486476406573
Energy: 0.9888901885942094
Energy: 0.9725621455268775
Energy: 1.0232698715204274
Energy: 0.9891513651523551
Energy: 0.9837104996465184
Energy: 0.8830986676527652
Energy: 0.885684540917854
Energy: 0.9745056878347156
Energy: 0.9336219587109088
Energy: 0.9726571892824625
Energy: 0.9118532406385612
Energy: 0.9160695476884574
Energy: 1.036346485880186
Energy: 0.9392729563933434
Energy: 0.9871762270523108
Energy: 0.8967253961351945
Energy: 0.9690621250699805
Energy: 0.9691247860151274
Energy: 0.8841715183030904
Energy: 0.9321502363937342
Energy: 0.9839149038083427
Energy: 0.911629255600813
Energy: 0.9115057625412891
Energy: 0.9663194128423699
Energy: 0.9099525925734536
Energy: 0.9522605565246246
Energy: 0.9316638643321385
Energy: 0.9841304832952572
Energy: 0.9105228714226156
Energy: 0.9110111851117875
Energy: 0.9658816377995013
Energy: 0.9105924113075613
Energy: 1.0123817130004187
Energy: 1.034185425416589
Energy: 0.9362758612990182
Energy: 0.9678631808421785
Energy: 1.0281708895388442
Energy: 0.9105306103790746
Energy: 0.972963360602408
Energy: 0.9884744606307738
Energy: 0.9319981699306542
Energy: 0.9745963982147078
Energy: 0.9837614345356674
Energy: 0.9702041619821027
Energy: 0.9661808303840281
Energy: 0.9693810831626293
Energy: 0.8849897499228736
Energy: 0.9323212821457761
Energy: 0.9740812380165693
Energy: 0.986682508786631
Energy: 0.969413360184965
Energy: 1.0149501672669643
Energy: 0.9689538851372561
Energy: 0.8843035006743377
Energy: 0.9341557429734444
Energy: 0.8832051653218083
Energy: 0.9853608245627253
Energy: 0.9337453435406812
Energy: 1.0371903888467167
Energy: 0.9873323182701452
Energy: 0.9140071524599704
Energy: 0.9866348169285064
Energy: 0.9337965893385962
Energy: 0.9838672919430738
Energy: 0.9336087716223451
Energy: 0.9693495812730677
Energy: 0.9100987807003476
Energy: 0.9834132593858631
Energy: 0.9325604568985584
Energy: 0.8834562819598436
Energy: 0.9799622339973596
Energy: 0.910474999262084
Energy: 0.9725442081324289
Energy: 0.9698003942620028
Energy: 0.9537990787707546
Energy: 0.9319789564982868
Energy: 0.9847267040849533
Energy: 0.9114549425793979
Energy: 0.9126374222690351
Energy: 1.0057175941674825
Energy: 0.9116320286000501
Energy: 0.981990848336819
Energy: 1.036075283088237
Energy: 0.8843498867629885
Energy: 1.0344965875030747
Energy: 0.933199208219504
Energy: 1.0046459088042494
Energy: 0.9107748441624788
Energy: 0.9818673839108252
Energy: 1.032911249904159
Energy: 0.8847958507562798
Energy: 0.981982416357288
Energy: 0.9428542194674486
Energy: 0.9736298606728189
Energy: 0.9696850156192913
Energy: 0.9471481407155555
Energy: 0.9323703230131412
Energy: 0.9751935447753161
Energy: 0.9804827861069195
Energy: 0.9683568079873367
Energy: 0.9689867753621121
Energy: 0.9690285598376979
Energy: 0.9491477628439096
Energy: 0.936744332424762
Energy: 0.8845895683818134
Energy: 0.9884736947426903
Energy: 0.9322522024500569
Energy: 1.0233136309678041
Energy: 0.9889772647912372
Energy: 0.9837312382946485
Energy: 0.8858895726120949
Energy: 0.8834673051844621
Energy: 0.9745651073638253
Energy: 0.9328744411159039
Energy: 0.9730690468551736
Energy: 0.9114713063585235
Energy: 0.9153886998596299
Energy: 1.0364744785476034
Energy: 0.9395628460196519
Energy: 0.9866797421905118
Energy: 0.9426970685774251
Energy: 0.9690098119319926
Energy: 0.9687820847092348
Energy: 0.884769935335718
Energy: 0.9319899362480962
Energy: 0.9848207025217367
Energy: 0.9115097781080128
Energy: 0.9112181305567298
Energy: 0.9661996819574414
Energy: 0.9098879523653537
Energy: 0.9525525566981277
Energy: 0.931809631349313
Energy: 0.8831107672803717
Energy: 0.9105230347270972
Energy: 0.9109885744737353
Energy: 0.9659573470001406

minimum gb energy = 0.8830986676527652 eV
minimum distance =  2.57641700236029 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.1756121357665434
Energy: 1.0982629324529494
Energy: 0.9231798130884903
Energy: 1.176050427367845
Energy: 0.9492374884060643
Energy: 0.9517609476484005
Energy: 1.1184116588095458
Energy: 1.0290052441206823
Energy: 0.9769863823004096
Energy: 1.033535531549283
Energy: 0.9181618134357803
Energy: 0.8785784037781983
Energy: 0.9267653245746568
Energy: 0.9439124211125859
Energy: 0.9849891826117804
Energy: 0.9437240904163049
Energy: 0.9517246600337844
Energy: 0.9797314204319085
Energy: 0.9341538054834707
Energy: 0.9411619515436035
Energy: 0.9497672861137115
Energy: 1.1254837937094164
Energy: 0.9324267807832787
Energy: 0.9766958445766541
Energy: 0.9768630545940297
Energy: 0.9792831108521957
Energy: 0.9492019458699474
Energy: 0.9261346931172701
Energy: 0.9259626696286447
Energy: 0.9146890111929834
Energy: 0.9725601205936847
Energy: 0.9002564645205744
Energy: 0.9035185252846755
Energy: 0.948184108297255
Energy: 0.9440758864483251
Energy: 0.9018903075332424
Energy: 0.8774876010857205
Energy: 0.9979644770370003
Energy: 0.9320701353659573
Energy: 0.8539130132126644
Energy: 0.9382604576944003
Energy: 0.9268391168746046
Energy: 1.0280531243856232
Energy: 0.8953400382897234
Energy: 0.9492299398936382
Energy: 0.9530773237320198
Energy: 0.9017749658158639
Energy: 0.9019262088932031
Energy: 0.9260424161405931
Energy: 0.9214026035458472
Energy: 0.9017038127069903
Energy: 0.9829148917226203
Energy: 0.9738416645786477
Energy: 0.9449402396570062
Energy: 0.9260998223875223
Energy: 0.9304183505291427
Energy: 0.9648282849187801
Energy: 0.9094361340171191
Energy: 0.9938730412173805
Energy: 0.9781896645635771
Energy: 0.8587973850517727
Energy: 0.9443369583482734
Energy: 0.941366487941311
Energy: 1.140172603366681
Energy: 0.9675758064780107
Energy: 0.8930848725686551
Energy: 0.9552787887578766
Energy: 0.9486352643927419
Energy: 0.9205812523875402
Energy: 0.9257297077114124
Energy: 0.9862533296173732
Energy: 0.9412474521596443
Energy: 0.9585455520484193
Energy: 0.982406264845536
Energy: 0.9015828233419076
Energy: 0.9016257027454602
Energy: 0.9513342924071211
Energy: 0.948731144409455
Energy: 0.9702802209193132
Energy: 1.0516700497354272
Energy: 0.8839265290453676
Energy: 1.00099711769611
Energy: 1.0852926352451466
Energy: 0.9372949025940613
Energy: 1.0852582322527624
Energy: 0.9361807035691133
Energy: 0.9228762620362001
Energy: 1.0520098642572373
Energy: 0.9809961442718385
Energy: 0.9192737494053301
Energy: 0.9017010341199581
Energy: 0.9010084413020807
Energy: 0.9351982987750885
Energy: 0.9630248009191423
Energy: 0.979762146352638
Energy: 0.9304889363905687
Energy: 0.9463532568271581
Energy: 0.9441078961416612
Energy: 0.9491354301668193
Energy: 0.9783410908121155
Energy: 0.9579871019408707
Energy: 0.845049181717022
Energy: 0.9819725055328152
Energy: 1.0276480392894682
Energy: 0.9243590387086941
Energy: 0.9988725391420229
Energy: 0.8586751965020432
Energy: 0.9469272273927066
Energy: 0.9441341977464575
Energy: 0.9400432874493155
Energy: 0.9411638095672873
Energy: 0.9441452451018256
Energy: 0.9257550832582346
Energy: 0.9342941789852935
Energy: 0.9517362554936158
Energy: 0.9016534635807224
Energy: 0.8289845216299172
Energy: 0.9329956332461633
Energy: 0.9875058591777556
Energy: 0.902802766292141
Energy: 0.8707430549919023
Energy: 0.9635145914562282
Energy: 0.8981547772743043
Energy: 0.9357366692486448
Energy: 0.935839560780107
Energy: 0.9193519052645425
Energy: 1.1008850113223565
Energy: 0.8990199752106797
Energy: 0.9754003010175026
Energy: 0.8937891668724772
Energy: 0.9017479380858688
Energy: 0.9023778613008645
Energy: 0.9271755566310043
Energy: 1.1735505269931201
Energy: 0.8585672297698137
Energy: 0.9410249385504554
Energy: 0.9729901289611849
Energy: 0.9575688734509044
Energy: 0.9258493281443473
Energy: 0.9397918334272196
Energy: 0.9493853177819395
Energy: 0.8710203679667933
Energy: 0.9962862247046632
Energy: 0.9755415410393492
Energy: 0.9348747434400168
Energy: 0.9273091436561182
Energy: 0.959688670152172
Energy: 1.0182821335973766
Energy: 0.9056867470823606
Energy: 0.9722487447309798
Energy: 0.9674064029187063
Energy: 0.8740618324558985
Energy: 0.9319727390986717
Energy: 0.9777124777207633
Energy: 0.8709644293995341
Energy: 0.8993596731427389
Energy: 0.9206162110882826
Energy: 0.9527273967486211
Energy: 0.9490469183112324
Energy: 0.9453324888783798
Energy: 0.9265718311946951
Energy: 0.9488406810664165
Energy: 0.9784494805060949
Energy: 0.8890853991954011
Energy: 0.945032779238385
Energy: 1.0855243804306187
Energy: 1.0854865998969323
Energy: 0.9368496819833356
Energy: 0.9010321798269405
Energy: 0.9699302984545236
Energy: 0.9183733800494266
Energy: 0.9842516659927711
Energy: 0.9939499874390287
Energy: 0.945249066742651
Energy: 0.9513682739801683

minimum gb energy = 0.8289845216299172 eV
minimum distance =  2.55397480024806 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.1406242663743615
Energy: 1.0507441003454179
Energy: 0.960625054692388
Energy: 0.8744982902467746
Energy: 0.9194050264162039
Energy: 0.9313849131697446
Energy: 1.0191837079669317
Energy: 0.9424948415318801
Energy: 0.9672348598196921
Energy: 0.8733509978294188
Energy: 0.9499139344633716
Energy: 0.8665513355168474
Energy: 0.8710395162104807
Energy: 0.8765182840939475
Energy: 1.0309971442196122
Energy: 0.9054108738466289
Energy: 1.0020342893568315
Energy: 0.8718481974761277
Energy: 0.863095849096127
Energy: 0.9561768767183549
Energy: 0.909081177333003
Energy: 0.8772628452569051
Energy: 0.9543871798030412
Energy: 0.8760985640789107
Energy: 0.8883048418333029
Energy: 0.8806732577011576
Energy: 0.8756530874746424
Energy: 0.9821797776852419
Energy: 0.8625896257443522
Energy: 0.942189798096109
Energy: 0.8798430239396473
Energy: 0.9050201916377377
Energy: 0.9189819978835863
Energy: 0.8897095063433554
Energy: 1.0252234861049114
Energy: 0.9784923920911225
Energy: 0.9553675909826473
Energy: 0.9534598120510057
Energy: 0.8689085844369175
Energy: 0.9282443999689608
Energy: 0.9181643876029152
Energy: 0.9075293247010646
Energy: 0.9711914721737169
Energy: 0.9207731225382629
Energy: 0.9368421223970865
Energy: 0.9137409945222684
Energy: 0.8675980043114585
Energy: 0.9050021938895776
Energy: 0.9847352547533601
Energy: 0.8812866434872975
Energy: 0.9050779556072194
Energy: 0.8806570039804288
Energy: 0.8766962767144797
Energy: 0.9464131745417945
Energy: 0.8739707755653912
Energy: 0.8483982677916707
Energy: 0.8825682481890598
Energy: 0.9167582228221515
Energy: 1.0100993429608243
Energy: 0.8590327249328542
Energy: 0.8691530379485303
Energy: 1.0185252991873577
Energy: 0.9056244004075491
Energy: 0.9917817571645619
Energy: 0.9341918957025914
Energy: 0.9328996768487691
Energy: 0.8769308407152104
Energy: 0.910920335080621
Energy: 0.9187644575379367
Energy: 0.8503938066884331
Energy: 0.9936127515274646
Energy: 0.8767513856707542
Energy: 0.9478262761224403
Energy: 0.8757044218776417
Energy: 0.9271051716977796
Energy: 0.8872765044388101
Energy: 0.926048439314027
Energy: 0.9407761368740091
Energy: 0.9271898095003709
Energy: 1.060205680215459
Energy: 0.8828847333680654
Energy: 0.9296817563527509
Energy: 1.1214542396274427
Energy: 0.9495255106674824
Energy: 0.9290812286346722
Energy: 0.8939629996062579
Energy: 0.9417411268174254
Energy: 0.8892031818046928
Energy: 0.885096124081825
Energy: 0.8664089921148299
Energy: 0.881073192653788
Energy: 0.9981584723424642
Energy: 0.9071161940850018
Energy: 0.9315447432669287
Energy: 0.9206957213195616
Energy: 0.9109257808344091
Energy: 0.9321846716741586
Energy: 0.8624438019248385
Energy: 0.9272792529084929
Energy: 0.9284269113174061
Energy: 1.0153995433443008
Energy: 0.8770256879607209
Energy: 0.8598377653237224
Energy: 1.002748205385706
Energy: 0.8708577707797943
Energy: 0.8642244968924521
Energy: 0.8668420499721647
Energy: 0.8687241698180098
Energy: 0.9652365365226219
Energy: 0.8859919100662524
Energy: 0.8927374932424914
Energy: 0.9724299760838122
Energy: 0.8886166453232814
Energy: 0.9773479923900771
Energy: 0.9078159705107791
Energy: 0.8824047795215009
Energy: 0.868918984445029
Energy: 0.8671813539395387
Energy: 1.0129760145745141
Energy: 0.9286218267572413
Energy: 0.9168475048577631
Energy: 0.9164998705269394
Energy: 0.8729022530739163
Energy: 0.9799778534151846
Energy: 0.9284257028838571
Energy: 0.9236603902417316
Energy: 0.9419296303366567
Energy: 0.9243544289524591
Energy: 0.9729326581694068
Energy: 0.961015679963338
Energy: 0.8741962772122298
Energy: 0.8865040985299516
Energy: 1.001922691341282
Energy: 0.9303579907468857
Energy: 0.8628789581212055
Energy: 0.8865267284862263
Energy: 0.880870731721315
Energy: 0.9806769343119571
Energy: 0.9509713953555945
Energy: 0.8903747073473187
Energy: 0.9464174020325073
Energy: 0.8890436405863992
Energy: 0.8873756255477658
Energy: 0.8726021378501579
Energy: 0.8649607349463408
Energy: 0.8605875221805782
Energy: 0.8763613579806881
Energy: 0.9452719921821005
Energy: 0.8887382559328038
Energy: 0.9652972783761109
Energy: 0.9064407301738895
Energy: 0.8656303760303853
Energy: 0.8619402585357219
Energy: 0.8765152068926649
Energy: 0.8582751503249295
Energy: 0.9184951723275143
Energy: 0.9616195698024017
Energy: 1.0066534869385093
Energy: 0.9491125772521755
Energy: 0.931359845784786
Energy: 0.8672565728152644
Energy: 0.8618495006793722
Energy: 0.9678867322876964
Energy: 0.8692774681063692
Energy: 0.9680895007601831
Energy: 0.8663735126671243
Energy: 0.8720511183124564
Energy: 0.8755253768890574
Energy: 0.8918127975182163
Energy: 0.9047129192038029
Energy: 1.015893872482305
Energy: 0.8706186226182072
Energy: 0.8695883037016608
Energy: 0.9286742693125618
Energy: 0.9087273167958279
Energy: 0.8789188118009416
Energy: 0.8802456016453547
Energy: 0.8761181828838899
Energy: 0.891465157002395
Energy: 0.9025337737766508
Energy: 0.8762935956626283
Energy: 0.9740676764330102
Energy: 0.87794123955577
Energy: 0.9146640829491761
Energy: 0.8790808444507375
Energy: 0.9047460521098778
Energy: 0.910924105519432
Energy: 0.8926603217466309
Energy: 1.0252370768541061
Energy: 0.980798974224575
Energy: 0.9556562954161142
Energy: 1.0884722061246568
Energy: 0.8700632201358323
Energy: 0.9201787443700359
Energy: 0.9175580961623866
Energy: 0.8595655310381481
Energy: 0.9503704636282604
Energy: 0.9221756359517065
Energy: 0.9316866153588618
Energy: 0.9415655930818081
Energy: 0.8658112854730453
Energy: 0.9054411073094936
Energy: 0.9326842739754844
Energy: 0.8801403809717454
Energy: 0.9052036443329207
Energy: 0.8934013350606764
Energy: 0.9150550638617235
Energy: 0.9236628873090481
Energy: 0.8679377953137974
Energy: 0.9515790834098583
Energy: 0.8819878123236237
Energy: 0.9492598666983965
Energy: 1.0108338614944268
Energy: 0.9006338452385286
Energy: 0.9072632543362832
Energy: 1.0612839623509789
Energy: 0.9094238817328103
Energy: 0.9380554297672663
Energy: 0.9344029480437496
Energy: 0.9862678314235245
Energy: 0.8767715964590738
Energy: 0.9116975586557131
Energy: 0.9689363176646374
Energy: 0.8505309671335716
Energy: 0.9931032823371082
Energy: 0.8765284850956302
Energy: 0.9428339696279695
Energy: 0.8489892520069122
Energy: 0.8858549430567885
Energy: 0.9529193839204401
Energy: 0.8749475443129312
Energy: 0.9403453843669466
Energy: 0.8850801257261797
Energy: 1.0604885575287357
Energy: 0.9028928036000228
Energy: 0.9337049801063668
Energy: 1.0017678542640294
Energy: 0.8849067097576234
Energy: 0.930609696619354
Energy: 0.8927253322510145
Energy: 0.8932917331526702
Energy: 0.8899766027147394
Energy: 0.9422845966664433
Energy: 0.9079738952753683
Energy: 0.8797066383737511
Energy: 1.0617286499510692
Energy: 0.9339368703116083
Energy: 0.9310526414952205
Energy: 0.9387117666800097
Energy: 0.8872119332793102
Energy: 0.9315383380462955
Energy: 0.9380650458808865
Energy: 0.9230537008930296
Energy: 0.9322740064700541
Energy: 1.080610880664697
Energy: 0.8774328639808767
Energy: 0.8594992552048388
Energy: 0.9413014909837738
Energy: 0.8674879972341305
Energy: 0.8619059411820165
Energy: 0.9259708868398846
Energy: 0.8639985490335355
Energy: 0.9286038997091337
Energy: 0.8856878936579289
Energy: 0.8932755640458347
Energy: 0.9713150196695329
Energy: 0.8832166520358302
Energy: 0.967408802519591
Energy: 0.9505538350950988
Energy: 0.8822442209217272
Energy: 0.8704582483019715
Energy: 0.9320360455194688
Energy: 1.018771197492091
Energy: 0.9282598704252165
Energy: 0.9165826116182774
Energy: 1.0002084479869262
Energy: 0.8731249115943353
Energy: 0.9335389390994543
Energy: 0.9290747531181613
Energy: 0.9241773431501729
Energy: 0.985762113555716
Energy: 0.9783362561213851
Energy: 0.9231360079495313
Energy: 0.9620235080455868
Energy: 0.9074195229624581
Energy: 0.8830877895380008
Energy: 1.0009421409846264
Energy: 0.9295222714526945
Energy: 0.8652423192659875
Energy: 0.8855507134391593
Energy: 0.8741642607599316
Energy: 0.952625771278682
Energy: 0.8667894269721751
Energy: 0.8762417826617936
Energy: 0.961875265753943
Energy: 0.9859256760863344
Energy: 0.8857029854115572
Energy: 0.9079052226907873
Energy: 0.8655770931653063
Energy: 0.8619926111089494
Energy: 0.8771659221504657
Energy: 1.029329815435848
Energy: 0.8898685956242413
Energy: 0.9626819231060212
Energy: 0.873183908624317
Energy: 0.8649424429162264
Energy: 0.8604411934679125
Energy: 0.8761756031416101
Energy: 0.8584395736295357
Energy: 0.8994776938192908
Energy: 0.9615481063208434
Energy: 0.9028516720942681
Energy: 0.9988839141475
Energy: 0.8712576883636816
Energy: 0.867295814077919

minimum gb energy = 0.8483982677916707 eV
minimum distance =  2.53522363158753 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.9076318187650323
Energy: 1.1481243395423504
Energy: 0.7754955247505807
Energy: 0.7751684877951568
Energy: 0.7751721273963775
Energy: 0.7755146078430531
Energy: 0.7748886829239181
Energy: 0.7742433536289487
Energy: 0.9312489087517463
Energy: 0.7743041366213801
Energy: 0.7735551392040114
Energy: 0.7779299057062505
Energy: 0.7741063366203406
Energy: 0.931316101296581
Energy: 0.9109231686138841
Energy: 0.9309255744847471
Energy: 0.7736876213400874
Energy: 0.7759605343692505
Energy: 0.7764179510762805
Energy: 0.7768478459537682
Energy: 0.7762835862447447
Energy: 0.9098296713532004
Energy: 0.9308093813842403
Energy: 0.7761878594108998
Energy: 0.7763677400343044
Energy: 0.7756524152607013
Energy: 0.7765715766157291
Energy: 0.7753983549793475
Energy: 0.8665058923268623
Energy: 0.9317894847810773
Energy: 0.7836938878862041
Energy: 0.9312663762490393
Energy: 0.7743465016341138
Energy: 0.7833690544942725
Energy: 0.9316581802008027
Energy: 0.9080159312010039
Energy: 0.9316440745231793
Energy: 0.7756762111806864
Energy: 0.7752445690293089
Energy: 0.775499544888118
Energy: 0.7754493601500738
Energy: 0.7755868268060351
Energy: 0.7734120188937059
Energy: 0.930316239948666
Energy: 0.7740251075054465
Energy: 0.7769066462472041
Energy: 0.7771750723235148
Energy: 0.773858838086855
Energy: 0.9309843189886327
Energy: 0.9101990027959695
Energy: 0.9300806267681495
Energy: 0.7740866588132365
Energy: 0.7763804143327421
Energy: 0.7769556809979667
Energy: 0.7774123410404405
Energy: 0.930189161141653
Energy: 0.9085708425805324
Energy: 0.9311260309124118
Energy: 0.7755258972590251
Energy: 0.7759009071258658
Energy: 0.775477650613759
Energy: 0.7759622133634206
Energy: 0.7750091393631084
Energy: 0.7832727437172455
Energy: 0.9313196157988097
Energy: 0.7829031859074138
Energy: 0.9296726434636016
Energy: 0.9309021563769706
Energy: 0.7827746700416581
Energy: 0.9312625679660178
Energy: 0.9090498761431394
Energy: 0.9313756058879938
Energy: 0.7761856410699
Energy: 0.7754594625392126
Energy: 0.775953102107118
Energy: 0.7755796654847728
Energy: 0.7755168968211131
Energy: 0.9096723771214603
Energy: 0.9302149119913938
Energy: 0.7768384270433253
Energy: 0.7765579881721817
Energy: 0.7767108389825481
Energy: 0.7736670291408541
Energy: 0.9302582922964548
Energy: 0.7750273294727649
Energy: 0.9310151811614493
Energy: 0.7741102932674975
Energy: 0.7772147788710144
Energy: 0.7734122161112702
Energy: 0.7737474639771814
Energy: 0.9304481486955316
Energy: 0.907738122542259
Energy: 0.9318017813170524
Energy: 0.7754150184308551
Energy: 0.77538366395053
Energy: 0.7751364060676278
Energy: 0.7755472264524508
Energy: 0.7748722587878252
Energy: 0.7820422919132944
Energy: 0.9317230067601737
Energy: 0.7832060330798148
Energy: 0.7740201278124926
Energy: 0.7739356979068834
Energy: 0.7742878296925154
Energy: 0.9316451473156483
Energy: 0.9102905426506013
Energy: 0.9305248095347648
Energy: 0.7770257157340938
Energy: 0.7756469676123477
Energy: 0.7764114542372743
Energy: 0.7762970004940601
Energy: 0.7757882719877816
Energy: 0.9107613465891833
Energy: 0.9305980472124139
Energy: 0.7767593507409682
Energy: 0.7760697316521084
Energy: 0.7759951038364211
Energy: 0.7746732434434814
Energy: 0.7756594495820521
Energy: 0.7830222668628531
Energy: 0.9315467593873233
Energy: 0.7742961361521616
Energy: 0.7737193803559602
Energy: 0.7739049732231572
Energy: 0.7742337841491876
Energy: 0.9316547686651084
Energy: 0.9076065762718405
Energy: 0.9310730855778887
Energy: 0.7755725373387703
Energy: 0.7751541463841398
Energy: 0.7751914316402734
Energy: 0.7754516461737897
Energy: 0.7754759595193108
Energy: 0.7738333998177039
Energy: 0.9316072434972309
Energy: 0.7742337561340857
Energy: 0.7735768304817046
Energy: 0.7736536916484502
Energy: 0.7739656363386019
Energy: 0.9310928432073415

minimum gb energy = 0.7734120188937059 eV
minimum distance =  2.67416454475526 Angstroms
sigma value = 23