Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Al__MO_140175748626_003
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.032988503575325
cohesive_energy=2.9236454478732066
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.009093985517731905
Energy: 0.009419135147736924
Energy: 0.009435952929203847
Energy: 0.009419135147246979
Energy: 0.009419135147736924
Energy: 0.9318167647726789
Energy: 0.009419135147736924
Energy: 0.9318167647726789
Energy: 0.009435952929203847
Energy: 0.009419135147736924
Energy: 0.009093985517731905
Energy: 0.009419135147736924
Energy: 0.009419135147736924
Energy: 0.9318167647726789
Energy: 0.009419135147736924
Energy: 0.9318167647726789

minimum gb energy = 0.009093985517731905 eV
minimum distance =  2.72223640772014 Angstroms
sigma value = 1


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

Energy: 0.9058336143007851
Energy: 0.9623904079989263
Energy: 0.8178306199313061
Energy: 0.9623904079989263
Energy: 0.8704817147079974
Energy: 0.956670532240825
Energy: 0.8695658420477546
Energy: 0.9566705322414362
Energy: 0.8187249810614955
Energy: 0.9533810322164972
Energy: 0.8678202393238887
Energy: 0.9533810322164972
Energy: 0.8593965129141072
Energy: 0.96863188681102
Energy: 0.8669865114988357
Energy: 0.9686318868104365
Energy: 0.8612963520334729
Energy: 0.962792252974968
Energy: 0.8613047863350369
Energy: 0.9627922529743569
Energy: 0.8302746397638823
Energy: 0.9576736309742296
Energy: 0.854761448757492
Energy: 0.9576736309736186
Energy: 0.8711899440778487
Energy: 0.9535074555992521
Energy: 0.8314631275032517
Energy: 0.9535074556010857
Energy: 0.7795741588848594
Energy: 0.9625267527502865
Energy: 0.8507649214025763
Energy: 0.9625267527490642
Energy: 0.8668232879742411
Energy: 0.8708988035120224
Energy: 0.8655042529931866
Energy: 0.8708988035108002
Energy: 0.85870364609042
Energy: 0.9531238107753319
Energy: 0.7733506080854788
Energy: 0.9531238107741096
Energy: 0.8630444162681246
Energy: 0.9299722896823518
Energy: 0.8670675636628988
Energy: 0.929972289682963
Energy: 0.8548891588300136
Energy: 0.962484036111009
Energy: 0.8678874139706252
Energy: 0.9624840361128424
Energy: 0.8688048369278024
Energy: 0.9532624108830993
Energy: 0.8727699731693962
Energy: 0.9532624108824881
Energy: 0.8739588871501357
Energy: 0.9575472470751928
Energy: 0.8641828959626802
Energy: 0.9575472470745815
Energy: 0.8243896982122259
Energy: 0.9626549909249547
Energy: 0.8677572988913731
Energy: 0.9626549909218988
Energy: 0.8202270570227764
Energy: 0.9624183866861212
Energy: 0.8673386278189452
Energy: 0.9624183866873435
Energy: 0.8685661187811221
Energy: 0.9534211260083326
Energy: 0.81975862639161
Energy: 0.953421126010166
Energy: 0.86973403924467
Energy: 0.9533908481228277
Energy: 0.8699423992603372
Energy: 0.9533908481216053
Energy: 0.7934097268918214
Energy: 0.9623835127235887
Energy: 0.8881428959777434
Energy: 0.9623835127229774
Energy: 0.8695219561700703
Energy: 0.8710915768945794
Energy: 0.8679656806196795
Energy: 0.8710915768945794
Energy: 0.8568209564654643
Energy: 0.9531910367414123
Energy: 0.8271883836234062
Energy: 0.9531910367432457
Energy: 0.8671155795100954
Energy: 0.9370731581132282
Energy: 0.8594792493052759
Energy: 0.9370731581126173
Energy: 0.779013193091737
Energy: 0.9626144016822034
Energy: 0.8206822846342334
Energy: 0.9626144016809809
Energy: 0.8547550543816694
Energy: 0.9538200791683404
Energy: 0.8303786756718355
Energy: 0.9538200791671181
Energy: 0.8311963770268289
Energy: 0.9574096547563313
Energy: 0.8711076799312798
Energy: 0.9574096547563313
Energy: 0.7788015568562298
Energy: 0.9625739161044361
Energy: 0.7801098337782094
Energy: 0.9625739161056585
Energy: 0.8655478194424656
Energy: 0.9568484299693905
Energy: 0.8665927827065282
Energy: 0.9568484299663347
Energy: 0.772683151600039
Energy: 0.9531742102393743
Energy: 0.8683881602313203
Energy: 0.9531742102381521
Energy: 0.8691479732981724
Energy: 0.9584157161989557
Energy: 0.8592153557367643
Energy: 0.9584157161977334
Energy: 0.8800623546933642
Energy: 0.9624525860816685
Energy: 0.8552506366678579
Energy: 0.9624525860822797
Energy: 0.8768581905284807
Energy: 0.9568314847876478
Energy: 0.8684896935171069
Energy: 0.9568314847888701
Energy: 0.8550737855355434
Energy: 0.9535680971511281
Energy: 0.8690253111800236
Energy: 0.9535680971523505
Energy: 0.8612640627682139
Energy: 0.9684620952333819
Energy: 0.8689203723796883
Energy: 0.9684620952333819

minimum gb energy = 0.772683151600039 eV
minimum distance =  2.51372012148386 Angstroms
sigma value = 1


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

Energy: 0.9725955353908742
Energy: 1.035760283695232
Energy: 0.8776168524973162
Energy: 1.0357602836938382
Energy: 0.9235369709654382
Energy: 0.9987597257582583
Energy: 0.9244297086455004
Energy: 0.9987597257582583
Energy: 0.8261234979320016
Energy: 1.0359474758670784
Energy: 0.8841652766907248
Energy: 1.0359474758691687
Energy: 0.9213897550329635
Energy: 0.9910598809432105
Energy: 0.890288603105807
Energy: 0.9910598809432105
Energy: 0.9217060085638681
Energy: 1.023053720112998
Energy: 0.9217745298449906
Energy: 1.0230537201102108
Energy: 0.9327148988773752
Energy: 1.023347942003618
Energy: 0.9018274782137318
Energy: 1.023347942008496
Energy: 0.9216229775984404
Energy: 0.9892399153359621
Energy: 0.931407452538074
Energy: 0.9892399153359621
Energy: 0.8258794544087286
Energy: 1.0359729786763494
Energy: 0.8770976445252939
Energy: 1.0359729786721683
Energy: 0.9220852465294014
Energy: 0.9413827524631532
Energy: 0.9245702066615511
Energy: 0.9413827524659406
Energy: 0.9542859176756516
Energy: 1.0359417480065243
Energy: 0.8782262782908488
Energy: 1.035941748007918
Energy: 0.9218568694516387
Energy: 1.0222374853483698
Energy: 0.9319502541277728
Energy: 1.0222374853504603
Energy: 0.8746783875198711
Energy: 1.0296810766558535
Energy: 0.8855834948273189
Energy: 1.0296810766565507
Energy: 0.936712831839233
Energy: 1.0227721920633452
Energy: 0.9225489471758014
Energy: 1.022772192060558
Energy: 0.9367408924371147
Energy: 1.022845003110203
Energy: 0.923148678827164
Energy: 1.022845003110203
Energy: 0.8745552713469038
Energy: 1.0295336126886256
Energy: 0.8851511934490937
Energy: 1.0295336126879289
Energy: 0.9218037476039072
Energy: 1.022132052901885
Energy: 0.9313010587283496
Energy: 1.0221320529004911
Energy: 0.9542735291596983
Energy: 1.035930177929865
Energy: 0.8496068386282679
Energy: 1.0359301779263805
Energy: 0.9220588796543171
Energy: 0.8961630660784806
Energy: 0.9244543545298614
Energy: 0.8961630660784806
Energy: 0.8258769922187357
Energy: 1.0358935202221307
Energy: 0.8770338142176914
Energy: 1.0358935202263118
Energy: 0.9217468702139128
Energy: 0.9891333571588362
Energy: 0.8880942519606031
Energy: 0.9891333571637141
Energy: 0.9326282981214051
Energy: 1.023452638759032
Energy: 0.9217731512982925
Energy: 1.0234526387583351
Energy: 0.921982705746722
Energy: 1.0230408037879206
Energy: 0.8768848534078808
Energy: 1.0230408037886176
Energy: 0.9214006342634666
Energy: 0.9909108108876111
Energy: 0.9310345958802353
Energy: 0.9909108108897016
Energy: 0.8261455250956374
Energy: 1.0357288265251028
Energy: 0.8854498567047152
Energy: 1.0357288265251028
Energy: 0.9235571360916376
Energy: 0.9988208951289679
Energy: 0.9245719930477663
Energy: 0.9988208951275742
Energy: 0.9725955353894806
Energy: 1.035760283695232
Energy: 0.920523602510954
Energy: 1.0357602836938382
Energy: 0.9235369709654382
Energy: 0.9987597257575614
Energy: 0.9244297086357446
Energy: 0.9987597257582583
Energy: 0.8261234979438479
Energy: 1.0359474758677751
Energy: 0.860952967595016
Energy: 1.0359474758684721
Energy: 0.9213897550329635
Energy: 0.9910598809425138
Energy: 0.8828188628443869
Energy: 0.9910598809425138

minimum gb energy = 0.8258769922187357 eV
minimum distance =  2.49248440979591 Angstroms
sigma value = 25


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

Energy: 1.0324880438020225
Energy: 1.105199978954317
Energy: 0.9488853206262371
Energy: 1.105199978953507
Energy: 0.952345808443217
Energy: 1.0677575506373527
Energy: 0.9986492726914662
Energy: 1.0677575506373527
Energy: 0.8878819735602834
Energy: 1.1258368229898195
Energy: 0.9987704430168926
Energy: 1.1258368229890094
Energy: 0.9906942281510872
Energy: 1.0942530319306862
Energy: 0.9526209249648497
Energy: 1.0942530319306862
Energy: 0.9534717110725334
Energy: 1.1051654825937531
Energy: 0.9483579685009946
Energy: 1.1051654825929431
Energy: 1.0177132127361215
Energy: 1.1256745793068432
Energy: 0.9989890243611724
Energy: 1.1256745793092733
Energy: 1.000808199335629
Energy: 0.952773271368215
Energy: 0.974533508673366
Energy: 0.952773271367405
Energy: 1.0074511499762107
Energy: 1.1052687067871085
Energy: 0.9015564456951235
Energy: 1.1052687067862983
Energy: 0.9743118496873465
Energy: 1.0649395889193787
Energy: 1.0005851489009792
Energy: 1.0649395889185687
Energy: 0.9985502771589038
Energy: 1.1259374947707221
Energy: 0.9436873893559727
Energy: 1.125937494769912
Energy: 0.9953671580260596
Energy: 1.1050758120393398
Energy: 0.9981505476035276
Energy: 1.1050758120393398
Energy: 0.9532774170414345
Energy: 1.1052169552905284
Energy: 0.9980041984990291
Energy: 1.1052169552905284
Energy: 0.998623318895764
Energy: 1.082714737856399
Energy: 0.9446680820579052
Energy: 1.082714737855589
Energy: 0.9742168896808515
Energy: 1.0001406015831218
Energy: 1.0011223626875205
Energy: 1.000140601584742
Energy: 0.9152627960008213
Energy: 1.1053113163813504
Energy: 0.9004964621928646
Energy: 1.1053113163813504
Energy: 0.9986324061908404
Energy: 1.0049339231691015
Energy: 0.9516419175572972
Energy: 1.0049339231682917
Energy: 0.8877252319593544
Energy: 1.1259543450618752
Energy: 0.8875599875994468
Energy: 1.1259543450618752
Energy: 0.9530784881524434
Energy: 1.105436592881196
Energy: 0.9907256878117622
Energy: 1.105436592881196
Energy: 0.9483327787148094
Energy: 1.0791280142440218
Energy: 0.9517432353349219
Energy: 1.0791280142440218
Energy: 0.9512228893777327
Energy: 1.125413221830759
Energy: 1.0014468287404308
Energy: 1.1254132218299489
Energy: 1.008314266809387
Energy: 1.0836822394347996
Energy: 1.0003671201613071
Energy: 1.0836822394347996
Energy: 1.0165942012461917
Energy: 1.105211355348422
Energy: 0.9990255231070765
Energy: 1.105211355348422
Energy: 1.0004816806740726
Energy: 1.069828504354357
Energy: 0.9983042068850396
Energy: 1.069828504354357
Energy: 0.8881934698463912
Energy: 1.125878561891949
Energy: 0.9985221734499422
Energy: 1.125878561891949
Energy: 0.9982791274777532
Energy: 1.0817442648251576
Energy: 0.9532083522275
Energy: 1.0817442648243476

minimum gb energy = 0.8875599875994468 eV
minimum distance =  2.50932378473875 Angstroms
sigma value = 9


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

Energy: 1.1529782029691371
Energy: 1.1230964959763168
Energy: 1.0307055095155309
Energy: 1.1230964959782495
Energy: 1.0446467540450333
Energy: 1.1632015798554054
Energy: 1.076623221607921
Energy: 1.1632015798563717
Energy: 0.9559761767699256
Energy: 1.123112401850925
Energy: 1.0309946874825169
Energy: 1.1231124018480263
Energy: 1.0880732739572228
Energy: 1.2073745283347417
Energy: 0.9802683303136286
Energy: 1.2073745283337751
Energy: 1.1144386770166523
Energy: 1.1633037743475327
Energy: 1.0625772476375241
Energy: 1.1633037743456003
Energy: 0.9550594835998398
Energy: 1.0968913017332083
Energy: 0.9741993241387525
Energy: 1.0968913017312754
Energy: 1.090938506536436
Energy: 0.9806548717266612
Energy: 0.9824150259857778
Energy: 0.9806548717256951
Energy: 1.0309881553798383
Energy: 1.0970667940690035
Energy: 0.9746835141039684
Energy: 1.0970667940709362
Energy: 1.091095777629179
Energy: 1.1632836169634733
Energy: 1.075491326828259
Energy: 1.1632836169634733
Energy: 1.0875788157784787
Energy: 1.0898654600462936
Energy: 0.9804233853710502
Energy: 1.089865460048226
Energy: 1.021987334162047
Energy: 1.1870070707493614
Energy: 1.030812824257564
Energy: 1.187007070750328
Energy: 1.0882041636650186
Energy: 1.088685596508412
Energy: 0.9803358617991613
Energy: 1.088685596508412
Energy: 0.9556171814661925
Energy: 1.122899172543074
Energy: 0.9887452035328126
Energy: 1.122899172543074
Energy: 1.0171955387279763
Energy: 1.0969392265301512
Energy: 1.0766579174895408
Energy: 1.0969392265291849
Energy: 0.9556194203020099
Energy: 1.1231167848625199
Energy: 1.0307921232517012
Energy: 1.1231167848615535
Energy: 1.0881337171511603
Energy: 1.0897054674557716
Energy: 0.9802932618098643
Energy: 1.0897054674557716
Energy: 1.0218004614758833
Energy: 1.1869775170771135
Energy: 1.0760124255437815
Energy: 1.1869775170790462
Energy: 1.0875378378249168
Energy: 1.0901473182500772
Energy: 0.9804977492472952
Energy: 1.0901473182491106
Energy: 1.090979014145437
Energy: 1.1632814907064446
Energy: 1.0758627225619073
Energy: 1.1632814907054783
Energy: 1.0308390318865182
Energy: 1.097658136099351
Energy: 0.9746821796860398
Energy: 1.097658136099351
Energy: 1.0912148618103568
Energy: 0.9807844212364502
Energy: 0.9824118435051311
Energy: 0.9807844212345174

minimum gb energy = 0.9550594835998398 eV
minimum distance =  2.58239788821957 Angstroms
sigma value = 25


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

Energy: 1.050020377322142
Energy: 1.2827577234236829
Energy: 1.127264773765874
Energy: 1.2827577234236829
Energy: 1.0393776964204264
Energy: 1.1828215993612652
Energy: 1.0299163780260971
Energy: 1.1828215993612652
Energy: 1.031263129933136
Energy: 1.3006623672789324
Energy: 1.0298711394410538
Energy: 1.3006623672801276
Energy: 1.047142936759271
Energy: 1.2861501901810422
Energy: 1.119107849618048
Energy: 1.2861501901810422
Energy: 1.1196202181949617
Energy: 1.0387131204980202
Energy: 1.060129216607709
Energy: 1.0387131204980202
Energy: 1.0310413680366708
Energy: 1.3013999556189753
Energy: 1.0311800252776573
Energy: 1.3013999556189753
Energy: 1.0622562196319068
Energy: 1.0415176180423569
Energy: 1.0299459351164022
Energy: 1.0415176180423569
Energy: 1.1191439955577593
Energy: 1.2832211979243964
Energy: 1.0466820593712245
Energy: 1.2832211979255912
Energy: 1.029871666142679
Energy: 1.1830037402009126
Energy: 1.0386784263641349
Energy: 1.1830037402009126
Energy: 1.1510470019710515
Energy: 1.0582123003986592
Energy: 1.0308647442149348
Energy: 1.0582123003986592
Energy: 1.0322965390848087
Energy: 1.28412005458185
Energy: 1.2037554910629658
Energy: 1.284120054580655
Energy: 1.0300487179762352
Energy: 1.058265653528755
Energy: 1.1514560067577067
Energy: 1.0582656535275596
Energy: 1.1278541600552536
Energy: 1.302587349041576
Energy: 1.0307827497681468
Energy: 1.302587349042771
Energy: 1.0298582931965172
Energy: 1.0412719894522768
Energy: 1.0471895110163725
Energy: 1.0412719894498867
Energy: 1.0603239598086203
Energy: 1.2837042220807784
Energy: 1.1200231318529568
Energy: 1.2837042220795833
Energy: 1.0387779443385974
Energy: 1.0884599378897268
Energy: 1.0311829473701366
Energy: 1.0884599378897268
Energy: 1.030075988196599
Energy: 1.1077804266267348
Energy: 1.151548722966858
Energy: 1.1077804266255398

minimum gb energy = 1.0298582931965172 eV
minimum distance =  2.56561188592263 Angstroms
sigma value = 17


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

Energy: 1.2017988865543676
Energy: 1.1288087836953353
Energy: 1.241162317497494
Energy: 1.1288087836953353
Energy: 1.1523342167397097
Energy: 1.1194941691580194
Energy: 1.0595957257619402
Energy: 1.1194941691573426
Energy: 1.1448993407564063
Energy: 1.1248094754363314
Energy: 1.0595409643491684
Energy: 1.124809475437685
Energy: 1.0618364427544302
Energy: 1.0688564904048523
Energy: 1.1185629560690764
Energy: 1.0688564904048523
Energy: 1.1692084746954454
Energy: 1.1243091660389448
Energy: 1.0799283678318492
Energy: 1.1243091660375915
Energy: 1.0700641455342739
Energy: 1.088785908621814
Energy: 1.1369318537241337
Energy: 1.088785908621814
Energy: 1.063791956781447
Energy: 1.1174949979716378
Energy: 1.059755085701177
Energy: 1.117494997970961
Energy: 1.1382440694285136
Energy: 1.1301089634654196
Energy: 1.0656864371626258
Energy: 1.1301089634647425
Energy: 1.066199366347386
Energy: 1.1565862607474635
Energy: 1.1704118147607931
Energy: 1.1565862607474635
Energy: 1.2239642185392026
Energy: 1.1006890076734013
Energy: 1.0598603439426917
Energy: 1.1006890076686635
Energy: 1.0643166773910568
Energy: 1.06821936321118
Energy: 1.1482219168575978
Energy: 1.0682193632118568
Energy: 1.0659513846874005
Energy: 1.1177096410291976
Energy: 1.0659186450480063
Energy: 1.1177096410291976
Energy: 1.1477133999387876
Energy: 1.0678340673163145
Energy: 1.065019349467545
Energy: 1.0678340673169913
Energy: 1.0596182047089777
Energy: 1.1623243196335094
Energy: 1.151160918617778
Energy: 1.1623243196321555
Energy: 1.1292787903909485
Energy: 1.1173858825215268
Energy: 1.066345586918526
Energy: 1.11738588252085
Energy: 1.1432733579837482
Energy: 1.0688650762109777
Energy: 1.1383527991353648
Energy: 1.068865076212331
Energy: 1.0598064656674935
Energy: 1.1464957202069457
Energy: 1.2268925106495483
Energy: 1.146495720205623
Energy: 1.1657294003988588
Energy: 1.0630909923623
Energy: 1.0699463119142276
Energy: 1.0630909923602696
Energy: 1.080167517698766
Energy: 1.1183134868525249
Energy: 1.134793713766798
Energy: 1.1183134868538787
Energy: 1.0595297759031916
Energy: 1.0695836208389091
Energy: 1.0623232987906954
Energy: 1.069583620838232
Energy: 1.099433302797833
Energy: 1.0641691098231305
Energy: 1.1446672680837233
Energy: 1.0641691098231305
Energy: 1.0598073233978207
Energy: 1.1736567245791478
Energy: 1.2278460646406806
Energy: 1.1736567245791478
Energy: 1.181593772354111
Energy: 1.068901364542762
Energy: 1.0608070275444208
Energy: 1.0689013645359942
Energy: 1.0656135672609663
Energy: 1.117370841627713
Energy: 1.1457405689516933
Energy: 1.1173708416297439
Energy: 1.0650373672643783
Energy: 1.1258467220078614
Energy: 1.1452257868901168
Energy: 1.1258467220078614
Energy: 1.159661743376134
Energy: 1.0692921235483799
Energy: 1.0617099371548109
Energy: 1.0692921235490567
Energy: 1.079842012591578
Energy: 1.1732615594728624
Energy: 1.2479615926283183
Energy: 1.1732615594735392
Energy: 1.1370279764001505
Energy: 1.0668666502778237
Energy: 1.1457048126899747
Energy: 1.0668666502785007
Energy: 1.2120327438087637
Energy: 1.1664443027461724
Energy: 1.0639747620629108
Energy: 1.1664443027448186
Energy: 1.065495089188511
Energy: 1.1552520241702338
Energy: 1.1660330852226897
Energy: 1.1552520241702338

minimum gb energy = 1.0595297759031916 eV
minimum distance =  2.55695558258946 Angstroms
sigma value = 53


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

Energy: 1.043744214846573
Energy: 1.042193834506851
Energy: 1.2137339992040286
Energy: 1.042193834506851
Energy: 1.1839992663580412
Energy: 1.1108706433191031
Energy: 1.0537317952232208
Energy: 1.1108706433203603
Energy: 1.0444120404696686
Energy: 1.0417283726089848
Energy: 1.190764685179799
Energy: 1.0417283726078868
Energy: 1.0443774015304272
Energy: 1.0417085789245517
Energy: 1.1182121454320146
Energy: 1.0417085789259504
Energy: 1.1839911690476665
Energy: 1.110881028203064
Energy: 1.0534745891126365
Energy: 1.1108810282026038
Energy: 1.0437442148468739
Energy: 1.0421938345070105
Energy: 1.2872179348827986
Energy: 1.0421938345073292
Energy: 1.1839992663571028
Energy: 1.110870643318802
Energy: 1.1180593085668888
Energy: 1.1108706433195812
Energy: 1.0444120404696686
Energy: 1.0417283726082054
Energy: 1.1907646851794802
Energy: 1.0417283726078868
Energy: 1.0443774015298075
Energy: 1.041708578923613
Energy: 1.1660919573127995
Energy: 1.0417085789245517
Energy: 1.1839911690534213
Energy: 1.110881028203064
Energy: 1.117196852788005
Energy: 1.110881028202763
Energy: 1.043744214846573
Energy: 1.042193834506851
Energy: 1.2872211819807136
Energy: 1.0421938345066917
Energy: 1.1839992663575634
Energy: 1.1108706433192626
Energy: 1.1660807278819307
Energy: 1.1108706433197406
Energy: 1.0444120404691903
Energy: 1.0417283726089848
Energy: 1.1907646851801
Energy: 1.0417283726077453

minimum gb energy = 1.041708578923613 eV
minimum distance =  2.5477102708596 Angstroms
sigma value = 9


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

Energy: 1.1203429382656647
Energy: 1.2053264507243662
Energy: 1.3587236573050148
Energy: 1.2053264507232129
Energy: 1.2039186373615351
Energy: 1.1413324073876403
Energy: 1.0878870122993176
Energy: 1.1413324073887938
Energy: 1.0867326418868681
Energy: 1.1096202210825634
Energy: 1.095732998679349
Energy: 1.1096202210831398
Energy: 1.1667584241426625
Energy: 1.23947589979031
Energy: 1.0882469079779291
Energy: 1.2394758997914634
Energy: 1.2153848049069171
Energy: 1.158267721658262
Energy: 1.0990368086629554
Energy: 1.1582677216576855
Energy: 1.110994707204294
Energy: 1.109692816188719
Energy: 1.1619180232544963
Energy: 1.1096928161904491
Energy: 1.32518216217564
Energy: 1.1559787305273577
Energy: 1.0949820706592261
Energy: 1.155978730526781
Energy: 1.091532061774418
Energy: 1.2244651623268266
Energy: 1.1786196811818201
Energy: 1.2244651623262501
Energy: 1.0886309813032118
Energy: 1.2472068716349591
Energy: 1.1097697226212124
Energy: 1.2472068716338054
Energy: 1.087320748299134
Energy: 1.1476923421118816
Energy: 1.0956167102538028
Energy: 1.147692342113035
Energy: 1.0930334127379127
Energy: 1.1750106609089306
Energy: 1.2974089852223043
Energy: 1.1750106609089306
Energy: 1.1892701364357383
Energy: 1.2654294903219367
Energy: 1.0905731949597535
Energy: 1.26542949032136
Energy: 1.08834336138354
Energy: 1.1523555974858646
Energy: 1.2467584216008687
Energy: 1.1523555974864412
Energy: 1.1705699876711118
Energy: 1.175468209576477
Energy: 1.1205303451216284
Energy: 1.1754682095759004
Energy: 1.0934823442348474
Energy: 1.1848219362229688
Energy: 1.177908709161264
Energy: 1.1848219362229688
Energy: 1.090554183935551
Energy: 1.2472622598000414
Energy: 1.1659061547943785
Energy: 1.247262259798888
Energy: 1.145299848397418
Energy: 1.1851663909952905
Energy: 1.093445155170017
Energy: 1.1851663909952905
Energy: 1.0950989467907322
Energy: 1.1567045521394699
Energy: 1.2154858168332348
Energy: 1.15670455214293
Energy: 1.2283366566500618
Energy: 1.1522380394412821
Energy: 1.1110345380322533
Energy: 1.1522380394418585
Energy: 1.0907261775890928
Energy: 1.1551972863215971
Energy: 1.1563417974307932
Energy: 1.1551972863210207
Energy: 1.1693344247184376
Energy: 1.236024413613941
Energy: 1.168259550259027
Energy: 1.236024413613364
Energy: 1.1576440200870857
Energy: 1.195140409459856
Energy: 1.0873501630459061
Energy: 1.195140409457549
Energy: 1.1095219368135856
Energy: 1.1957726869022438
Energy: 1.088560409887339
Energy: 1.1957726869005134
Energy: 1.3315466579119561
Energy: 1.1744998251442573
Energy: 1.0914289075370793
Energy: 1.1744998251442573
Energy: 1.0951605094802506
Energy: 1.2694508333423566
Energy: 1.2663397304075472
Energy: 1.269450833342933
Energy: 1.1327916939816944
Energy: 1.1095486089981923
Energy: 1.0871398632751954
Energy: 1.1095486089976156
Energy: 1.141954016240153
Energy: 1.236014908877661
Energy: 1.1662355523272088
Energy: 1.2360149088788146
Energy: 1.0953346779746311
Energy: 1.2395580496370326
Energy: 1.1668477598505254
Energy: 1.2395580496393395
Energy: 1.1337934001485976
Energy: 1.109545453667202
Energy: 1.0866435442419557
Energy: 1.1095454536683556
Energy: 1.0881013082855437
Energy: 1.2698393283919864
Energy: 1.2666757769398516
Energy: 1.26983932839314
Energy: 1.305385276448641
Energy: 1.3425289162278193
Energy: 1.0910772103666018
Energy: 1.3425289162278193
Energy: 1.087832493097359
Energy: 1.1521074414966626
Energy: 1.087415801903604
Energy: 1.1521074414972394
Energy: 1.0959719503254106
Energy: 1.194086932030577
Energy: 1.0868415495506853
Energy: 1.19408693203
Energy: 1.1650359389040488
Energy: 1.23820484307416
Energy: 1.166631474953901
Energy: 1.238204843073583
Energy: 1.0914888901202884
Energy: 1.2150942032445933
Energy: 1.3254362665063524
Energy: 1.2150942032445933

minimum gb energy = 1.0866435442419557 eV
minimum distance =  2.55294896823176 Angstroms
sigma value = 73


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

Energy: 1.1435344991980663
Energy: 1.143508183019967
Energy: 1.2968956145785209
Energy: 1.143508183019967
Energy: 1.1537602357709014
Energy: 1.1851185272098819
Energy: 1.087076837913743
Energy: 1.1851185272098819
Energy: 1.0910769766148813
Energy: 1.2902022908042585
Energy: 1.0987105809989879
Energy: 1.2902022908042585
Energy: 1.0817074329159595
Energy: 1.2313913424001481
Energy: 1.1078986615425623
Energy: 1.2313913424010632
Energy: 1.1257315481109529
Energy: 1.1796919285397336
Energy: 1.09524550081743
Energy: 1.1796919285388188
Energy: 1.1054202040053234
Energy: 1.2913635638865693
Energy: 1.2186824886963956
Energy: 1.2913635638865693
Energy: 1.3255312798787748
Energy: 1.2166866158534189
Energy: 1.0883376259286226
Energy: 1.2166866158534189
Energy: 1.092377052969072
Energy: 1.1160703334885478
Energy: 1.292976986770333
Energy: 1.116070333487633
Energy: 1.2747805295880772
Energy: 1.0885034567827945
Energy: 1.0890720260889795
Energy: 1.0885034567837093
Energy: 1.0891994561688054
Energy: 1.167182643868996
Energy: 1.0891558824801004
Energy: 1.167182643870826
Energy: 1.093032226939892
Energy: 1.088803185779452
Energy: 1.2285003937680086
Energy: 1.0888031857821974
Energy: 1.206971280792539
Energy: 1.2290334269058252
Energy: 1.0813422414181824
Energy: 1.22903342690674
Energy: 1.1062092010835158
Energy: 1.1655654879807997
Energy: 1.3181930519789815
Energy: 1.1655654879807997
Energy: 1.2644491861315428
Energy: 1.2159612867734488
Energy: 1.1054594539884277
Energy: 1.2159612867752787
Energy: 1.0920957828174707
Energy: 1.2329519278711916
Energy: 1.2468095840643982
Energy: 1.2329519278730219
Energy: 1.2282537515308039
Energy: 1.113356279161457
Energy: 1.0927894266010885
Energy: 1.1133562791605423
Energy: 1.1429496997602717
Energy: 1.143177868020167
Energy: 1.0911339746766677
Energy: 1.143177868020167
Energy: 1.1425339102093326
Energy: 1.2330363449391828
Energy: 1.0909976426761236
Energy: 1.2330363449410129
Energy: 1.0783471913911675
Energy: 1.1175215928723872
Energy: 1.091749170646615
Energy: 1.1175215928714721
Energy: 1.087169504010736
Energy: 1.1706746461051627
Energy: 1.3331982036055272
Energy: 1.1706746461042474
Energy: 1.2416469251841336
Energy: 1.2898447869765637
Energy: 1.1049511330446453
Energy: 1.2898447869774785
Energy: 1.1082359135511861
Energy: 1.1854886371356246
Energy: 1.1544583077222434
Energy: 1.1854886371347095

minimum gb energy = 1.0783471913911675 eV
minimum distance =  2.51844548987821 Angstroms
sigma value = 7


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

Energy: 1.1962104670800284
Energy: 1.1698517398219428
Energy: 1.2761407632227764
Energy: 1.169851739820002
Energy: 1.2816407737173798
Energy: 1.1672860873189543
Energy: 1.1099015729806008
Energy: 1.1672860873183073
Energy: 1.101523574396402
Energy: 1.130333996505
Energy: 1.1105920703394816
Energy: 1.130333996503706
Energy: 1.0989275711013549
Energy: 1.2115538087358155
Energy: 1.1177329065545418
Energy: 1.2115538087364626
Energy: 1.104718515757172
Energy: 1.1715315209820862
Energy: 1.110519886792
Energy: 1.171531520982733
Energy: 1.1096952443056998
Energy: 1.1077864469309668
Energy: 1.2079292988157384
Energy: 1.1077864469290257
Energy: 1.2091133560593168
Energy: 1.2073153629939908
Energy: 1.1068188497584597
Energy: 1.207315362990109
Energy: 1.1095970214249185
Energy: 1.1078123171865077
Energy: 1.2963130572048882
Energy: 1.1078123171865077
Energy: 1.209342659236235
Energy: 1.2041499101311233
Energy: 1.1221881558037936
Energy: 1.2041499101446809
Energy: 1.1002264677469429
Energy: 1.1800715340314374
Energy: 1.2299604302815001
Energy: 1.1800715340282022
Energy: 1.1035056592367298
Energy: 1.2508723016716132
Energy: 1.10575123440109
Energy: 1.2508723016690253
Energy: 1.1152157708383594
Energy: 1.2090913600202626
Energy: 1.1007246426698198
Energy: 1.2090913600209097
Energy: 1.1073698132237182
Energy: 1.2500818029734717
Energy: 1.1029758330002137
Energy: 1.2500818029695897
Energy: 1.1152238987515126
Energy: 1.1284130977303304
Energy: 1.1038113681369923
Energy: 1.1284130977322713
Energy: 1.098659832239533
Energy: 1.237454145176923
Energy: 1.2489483639271006
Energy: 1.2374541451782168
Energy: 1.237573447788185
Energy: 1.1826538775214783
Energy: 1.1235584573466773
Energy: 1.1826538775227722
Energy: 1.1052635279452898
Energy: 1.1704423668948754
Energy: 1.165425285280744
Energy: 1.1704423668948754
Energy: 1.1118068825568095
Energy: 1.116600923487864
Energy: 1.1003728286049106
Energy: 1.116600923490452
Energy: 1.1055276414666588
Energy: 1.2510209565618227
Energy: 1.1027474364969676
Energy: 1.2510209565598815
Energy: 1.1043687422100184
Energy: 1.176779258851846
Energy: 1.1405088008288018
Energy: 1.176779258851846
Energy: 1.102311962804558
Energy: 1.2508844682089164
Energy: 1.1225392346662009
Energy: 1.2508844682050342
Energy: 1.099932492000877
Energy: 1.1089495598618822
Energy: 1.1979498860426172
Energy: 1.1089495598612353
Energy: 1.3091078676551995
Energy: 1.1836572931625988
Energy: 1.1065756472541917
Energy: 1.183657293163893
Energy: 1.1487212152929906
Energy: 1.1504136618843182
Energy: 1.2447419108133657
Energy: 1.1504136618888472
Energy: 1.1552797227703262
Energy: 1.1705184843621208
Energy: 1.1067983195126323
Energy: 1.1705184843601797
Energy: 1.1001793867772205
Energy: 1.2490413407975975
Energy: 1.106933859352544
Energy: 1.2490413407937155
Energy: 1.1016442249756107
Energy: 1.2177875332333268
Energy: 1.1095017150933912
Energy: 1.217787533235915
Energy: 1.1347195270828538
Energy: 1.1698003507697579
Energy: 1.1170817821139174
Energy: 1.169800350771052
Energy: 1.111177155148222
Energy: 1.1362340536354298
Energy: 1.1305126314906822
Energy: 1.1362340536360767
Energy: 1.3765362338882767
Energy: 1.1191077678352996
Energy: 1.1100412954463843
Energy: 1.1191077678346526
Energy: 1.1111633770124496
Energy: 1.1363789237880608
Energy: 1.1581622178710616
Energy: 1.1363789237861197

minimum gb energy = 1.098659832239533 eV
minimum distance =  2.5019043440423 Angstroms
sigma value = 29


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

Energy: 1.087153839883286
Energy: 1.071759442897621
Energy: 1.0649682342663411
Energy: 1.0717594428958679
Energy: 1.0632741110743504
Energy: 1.088051625606478
Energy: 1.0887989262308477
Energy: 1.0880516256082307
Energy: 1.064384035838279
Energy: 1.1556673948213043
Energy: 1.0625237491737163
Energy: 1.1556673948213043
Energy: 1.0888213287059145
Energy: 1.1292558550443021
Energy: 1.089810349551506
Energy: 1.1292558550608043
Energy: 1.087516700201159
Energy: 1.1336421733923678
Energy: 1.0614733532464924
Energy: 1.133642173391942
Energy: 1.0584380161190006
Energy: 1.1549997275922828
Energy: 1.0584488615269514
Energy: 1.1549997275918322
Energy: 1.0635086084800198
Energy: 1.1336805920525805
Energy: 1.0875064164919692
Energy: 1.1336805920525805
Energy: 1.0895328138295257
Energy: 1.1280032236742947
Energy: 1.088746945879262
Energy: 1.1280032236720912
Energy: 1.062504478383409
Energy: 1.1556162869024373
Energy: 1.0544731104702958
Energy: 1.1556162869019866

minimum gb energy = 1.0544731104702958 eV
minimum distance =  2.53531320430283 Angstroms
sigma value = 5


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

Energy: 1.040357319244351
Energy: 1.0360191042012197
Energy: 1.1899231611518057
Energy: 1.036019104206109
Energy: 1.1926365910438927
Energy: 1.0815808576612744
Energy: 0.9855278565596184
Energy: 1.081580857660663
Energy: 0.9888590319021383
Energy: 1.0290011730130004
Energy: 1.2052522721110788
Energy: 1.0290011730087223
Energy: 0.993433347259758
Energy: 1.072179927399218
Energy: 1.0175981135177918
Energy: 1.0721799274004402
Energy: 0.9995433175361782
Energy: 1.0800643793488742
Energy: 1.21166591719021
Energy: 1.080064379348263
Energy: 1.0151576625683654
Energy: 1.04297446572473
Energy: 1.0009670603119036
Energy: 1.0429744657259523
Energy: 1.0003646179371726
Energy: 1.0862460667430698
Energy: 1.0008802981042835
Energy: 1.0862460667442924
Energy: 1.0006144995150765
Energy: 1.044567721599664
Energy: 0.9857967709296265
Energy: 1.04456772160272
Energy: 1.0179647002832601
Energy: 1.0772419552301564
Energy: 0.9953848028139474
Energy: 1.077241955228323
Energy: 1.0175046069841198
Energy: 1.0760497709958665
Energy: 0.9914986114847062
Energy: 1.0760497709952555
Energy: 0.9819057629731257
Energy: 1.0726776042085964
Energy: 0.9892946732117816
Energy: 1.0726776042055406
Energy: 0.9844721330651529
Energy: 1.1935780654506232
Energy: 1.1374325817833406
Energy: 1.193578065446956
Energy: 1.0247537586578996
Energy: 1.0417013402498634
Energy: 1.0396381028819668
Energy: 1.0417013402492523
Energy: 0.9993756349058363
Energy: 1.041887947039496
Energy: 1.0224939172372192
Energy: 1.0418879470407185
Energy: 1.172096262339991
Energy: 0.9976458586510707
Energy: 0.9890458210169383
Energy: 0.9976458586480148
Energy: 1.0173916280156639
Energy: 1.021659442146537
Energy: 1.1988493085168535
Energy: 1.0216594421440923
Energy: 1.2102763953106217
Energy: 1.0046484806436167
Energy: 0.9859790420655536
Energy: 1.0046484806436167
Energy: 1.0057031173989919
Energy: 1.0416057350918702
Energy: 1.0518488005896098
Energy: 1.0416057350918702
Energy: 1.004521378275991
Energy: 1.0873501508563608
Energy: 1.0003421418182188
Energy: 1.087350150856972
Energy: 0.9844934077231511
Energy: 1.0888365859218663
Energy: 1.0330646874842437
Energy: 1.0888365859224773
Energy: 0.9793760559693439
Energy: 1.0683907479249355
Energy: 1.0175230628232574
Energy: 1.0683907479255463
Energy: 1.0000255045261077
Energy: 1.0757464932462242
Energy: 1.017905859242261
Energy: 1.0757464932431684
Energy: 0.9902493603472735
Energy: 1.0426508872462275
Energy: 0.9809648735095755
Energy: 1.0426508872492832
Energy: 1.1363698025983069
Energy: 1.0407883712984805
Energy: 0.984614352999995
Energy: 1.0407883713009252
Energy: 1.1397486192052528
Energy: 1.0237786717576645
Energy: 0.9869740458910418
Energy: 1.0237786717552197
Energy: 1.0242720590014927
Energy: 1.041986592569293
Energy: 0.999715791072602
Energy: 1.041986592569293
Energy: 0.9932005310188651
Energy: 1.0623698757973623
Energy: 1.1056330952894884
Energy: 1.0623698757973623
Energy: 1.0133564486885218
Energy: 1.0730796294046234
Energy: 1.01742916358484
Energy: 1.0730796294089016
Energy: 0.9848307722286277
Energy: 1.0025230226356197
Energy: 1.1219585073368215
Energy: 1.0025230226319526
Energy: 1.2372932432732806
Energy: 1.0417149907466734
Energy: 1.0055741540307586
Energy: 1.0417149907460623
Energy: 0.9957865461041746
Energy: 1.0278038494384678
Energy: 1.1016613656989656
Energy: 1.0278038494396904
Energy: 1.2081062333162136
Energy: 1.0396277612002218
Energy: 0.9843899438131695
Energy: 1.0396277611953326
Energy: 1.0175624174105184
Energy: 1.072772467930987
Energy: 0.9806600336789337
Energy: 1.0727724679297648

minimum gb energy = 0.9793760559693439 eV
minimum distance =  2.53188306673174 Angstroms
sigma value = 1


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

Energy: 0.9972257531834002
Energy: 0.9940411710898057
Energy: 0.9585085650118538
Energy: 0.9940411710898057
Energy: 0.9845088147023859
Energy: 1.0003843419381897
Energy: 0.9462250948740009
Energy: 1.000384341940725
Energy: 0.9212129033662391
Energy: 0.9937866373240029
Energy: 1.372512894574274
Energy: 0.993786637325693
Energy: 0.9602950783487102
Energy: 1.041443471946082
Energy: 0.9462391319726892
Energy: 1.0414434719477719
Energy: 0.921500065703993
Energy: 1.0776894171993259
Energy: 1.2138693826561555
Energy: 1.0776894171967908
Energy: 0.9221409073105513
Energy: 1.0370499383454992
Energy: 0.9466015687103113
Energy: 1.0370499383463443
Energy: 0.921899044026494
Energy: 1.0780335691783054
Energy: 0.9587569534982835
Energy: 1.0780335691774603
Energy: 0.9225485746040696
Energy: 0.9988611243350211
Energy: 0.9580014520895052
Energy: 0.998861124335866
Energy: 0.9992782173187378
Energy: 0.9885572158292324
Energy: 0.9583245689459562
Energy: 0.9885572158326126
Energy: 0.999304846597254
Energy: 0.9885150762940863
Energy: 0.9687429383039718
Energy: 0.9885150762940863
Energy: 0.922568071610046
Energy: 0.9987836861838704
Energy: 0.9579940531701799
Energy: 0.9987836861830253
Energy: 0.9217833139958067
Energy: 1.0779882767316262
Energy: 0.9766408083051529
Energy: 1.0779882767350064
Energy: 0.9223815698458071
Energy: 1.0369658673119304
Energy: 0.9465691992675328
Energy: 1.036965867309395
Energy: 0.9216151354878329
Energy: 1.0776602237352262
Energy: 1.1189947288696596
Energy: 1.0776602237369166
Energy: 0.9601041078579214
Energy: 1.0414378996924194
Energy: 0.9462320466453011
Energy: 1.0414378996924194
Energy: 0.9212030339844106
Energy: 0.9937923478825127
Energy: 0.9811320751550058
Energy: 0.9937923478833577
Energy: 0.9846992794511245
Energy: 1.0003900405961172
Energy: 0.9462207120640469
Energy: 1.0003900405978072
Energy: 0.9972257531834002
Energy: 0.9940411710898057
Energy: 0.9702629482385936
Energy: 0.9940411710898057
Energy: 0.9845088147116622
Energy: 1.0003843419381897
Energy: 0.9462250948740009
Energy: 1.000384341940725
Energy: 0.9212129033662391
Energy: 0.9937866373231576
Energy: 1.372512894575964
Energy: 0.9937866373248478
Energy: 0.9602950783411047
Energy: 1.041443471946082
Energy: 0.9462391319718442
Energy: 1.0414434719477719
Energy: 0.921500065704838
Energy: 1.077689417198481
Energy: 1.2138693826570008
Energy: 1.0776894171967908
Energy: 0.9221409073105513
Energy: 1.0370499383463443
Energy: 0.9466015687103113
Energy: 1.0370499383471892
Energy: 0.921899044026494
Energy: 1.0780335691783054
Energy: 0.9587569534982835
Energy: 1.0780335691774603

minimum gb energy = 0.9212030339844106 eV
minimum distance =  2.52899255190884 Angstroms
sigma value = 17


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

Energy: 0.9686817699896663
Energy: 0.9656731557565318
Energy: 1.1445004574525548
Energy: 0.9656731557565318
Energy: 1.1171143947248505
Energy: 0.9501098265782604
Energy: 0.9200506738603028
Energy: 0.9501098265782604
Energy: 0.9205221546992243
Energy: 0.9528459066691073
Energy: 1.2404346169783427
Energy: 0.9528459066638841
Energy: 0.9474028273982865
Energy: 0.9186246152136536
Energy: 0.9198906684562091
Energy: 0.9186246152105197
Energy: 0.9097849431312378
Energy: 1.0207205158316557
Energy: 1.1042149109438948
Energy: 1.0207205158306112
Energy: 0.9049079274063949
Energy: 1.1315711930401648
Energy: 0.9353215882402983
Energy: 1.1315711930380754
Energy: 0.9207417955920734
Energy: 1.0048481477202837
Energy: 0.9568724219656748
Energy: 1.004848147717672
Energy: 0.9102638368184698
Energy: 1.1427290905598575
Energy: 0.90959356579411
Energy: 1.1427290905598575
Energy: 0.9598464520640514
Energy: 1.1390631084940597
Energy: 0.9401019970234833
Energy: 1.1390631084961491
Energy: 0.960484600090381
Energy: 0.986223215986246
Energy: 0.9204933646289669
Energy: 0.9862232159878129
Energy: 0.9209718883826572
Energy: 0.9640310517457493
Energy: 0.9098323792882538
Energy: 0.9640310517483608
Energy: 0.9210247896868174
Energy: 0.9956817374477441
Energy: 0.9101972217974224
Energy: 0.9956817374503556
Energy: 0.9044222483101922
Energy: 1.1314949865692427
Energy: 0.9202686813725924
Energy: 1.1314949865692427
Energy: 0.9098692701400002
Energy: 1.0201211465613704
Energy: 0.9738069408778997
Energy: 1.0201211465587587
Energy: 0.9105996344402251
Energy: 1.1250065686769257
Energy: 0.9719244107453018
Energy: 1.1250065686790147
Energy: 0.9204331341394116
Energy: 0.9530711914339319
Energy: 1.1016725235310099
Energy: 0.9530711914323652
Energy: 0.9336664600274452
Energy: 1.124499965479602
Energy: 0.9201466761206428
Energy: 1.1244999654790797
Energy: 0.9196248725976712
Energy: 0.9660468886986967
Energy: 0.9255117244377039
Energy: 0.9660468886997413
Energy: 1.1065274581652356
Energy: 0.9967840014381311
Energy: 0.9203458402987017
Energy: 0.9967840014365641
Energy: 0.9347641282518129
Energy: 0.9533094526939945
Energy: 0.9442601551869311
Energy: 0.9533094526934722
Energy: 1.1019755605190278
Energy: 0.9425591817535935
Energy: 0.9198919462842642
Energy: 0.9425591817515042
Energy: 0.9198217938937733
Energy: 0.9926241090811887
Energy: 0.9242764925658609
Energy: 0.9926241090843225
Energy: 0.9293281505520791
Energy: 0.9323168501417627
Energy: 0.9350599676143038
Energy: 0.932316850161088
Energy: 0.9205914504278864
Energy: 1.005230051472334
Energy: 1.1167917120462327
Energy: 1.005230051474423
Energy: 0.9400089395033423
Energy: 0.9664490329655592
Energy: 0.9196986789096688
Energy: 0.9664490329619031
Energy: 0.9198217031812436
Energy: 1.0214511920932068
Energy: 0.9334849553638919
Energy: 1.0214511920890281
Energy: 1.0952761472301218
Energy: 0.9777753577415134
Energy: 0.9205124872400484
Energy: 0.9777753577409911
Energy: 0.9736028005426648
Energy: 1.1247143449866972
Energy: 0.9104222890154389
Energy: 1.1247143449903532
Energy: 0.9760924149819804
Energy: 1.0204468207071262
Energy: 0.9098052241312874
Energy: 1.0204468207076482
Energy: 0.9202483590451107
Energy: 0.978655864141434
Energy: 0.9447289959095981
Energy: 0.9786558641403893
Energy: 0.9101260459313221
Energy: 1.019877225059638
Energy: 0.9210395512001709
Energy: 1.0198772250585935
Energy: 0.9099489723005428
Energy: 1.1208292843668104
Energy: 0.9207896054587149
Energy: 1.1208292843652436
Energy: 0.9207946111590977
Energy: 0.9862808565892848
Energy: 1.1204969462969494
Energy: 0.9862808565918963
Energy: 0.9453538054797728
Energy: 1.1381428179184694
Energy: 0.9359738960052023
Energy: 1.138142817918992
Energy: 0.90950846616183
Energy: 0.9670270761766172
Energy: 0.9371097749191251
Energy: 0.9670270761760948
Energy: 0.95612226751079
Energy: 1.005357171624842
Energy: 0.9205568222040261
Energy: 1.0053571716258867
Energy: 0.9349717847358069
Energy: 1.1315721023385896
Energy: 0.9049024419865521
Energy: 1.1315721023385896
Energy: 1.1021848181764229
Energy: 1.0214887711819711
Energy: 0.9198740409066886
Energy: 1.0214887711814489

minimum gb energy = 0.9044222483101922 eV
minimum distance =  2.52168222005217 Angstroms
sigma value = 89


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

Energy: 0.85784203017649
Energy: 0.8559954854960005
Energy: 1.3379980586357796
Energy: 0.8559954854958608
Energy: 0.8555160913623348
Energy: 0.8872092756137648
Energy: 0.8589616707133992
Energy: 0.8872092756130816
Energy: 0.8639272050612191
Energy: 1.0033150838976086
Energy: 0.8410532539884915
Energy: 1.003315083897888
Energy: 0.842643831400896
Energy: 0.8872836477160927
Energy: 0.8583420447931087
Energy: 0.887283647716512
Energy: 0.8572461409860825
Energy: 0.9336829976742462
Energy: 0.858220220886606
Energy: 0.9336829976745258
Energy: 0.8553914052039464
Energy: 0.8569016871225152
Energy: 0.859913310683109
Energy: 0.8569016871218319
Energy: 0.8642448738076847
Energy: 1.0032453513001574
Energy: 0.8575281223887599
Energy: 1.003245351299878
Energy: 0.8340873691356469
Energy: 1.0024958337012022
Energy: 0.8583902026443276
Energy: 1.0024958337025687
Energy: 0.8585358469168065
Energy: 0.9338602793588107
Energy: 0.8411234792140782
Energy: 0.9338602793589504
Energy: 0.8870173143765832
Energy: 0.9289915209388545
Energy: 0.8600905793354847
Energy: 0.9289915209366648
Energy: 0.8645988249813338
Energy: 0.8885583573662652
Energy: 0.8577658817253313
Energy: 0.8885583573665448
Energy: 0.8584419143991125
Energy: 1.002619196993954
Energy: 0.8565967426327502
Energy: 1.0026191969947615
Energy: 0.8576145282166603
Energy: 0.8597652533906255
Energy: 0.8329093883247184
Energy: 0.8597652533927994
Energy: 0.8551981346119611
Energy: 0.9324086582653992
Energy: 0.8585897505268432
Energy: 0.9324086582649954
Energy: 0.8407754989523475
Energy: 0.8597663572677149
Energy: 0.8576824726354711
Energy: 0.8597663572677149

minimum gb energy = 0.8329093883247184 eV
minimum distance =  2.55061951036136 Angstroms
sigma value = 13


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

Energy: 0.9429788174235926
Energy: 0.9385073079904875
Energy: 1.1197551788637012
Energy: 0.938507307989342
Energy: 1.0930408676615722
Energy: 0.806490091631577
Energy: 0.7699379314255527
Energy: 0.8064900916293117
Energy: 0.7955110655226603
Energy: 0.7857775179700139
Energy: 0.9610517379624551
Energy: 0.7857775179654316
Energy: 0.7944918938543922
Energy: 0.8065659237540442
Energy: 0.7777360416267372
Energy: 0.8065659237511803
Energy: 0.7872062151330121
Energy: 0.8436005529031702
Energy: 0.7960995860820812
Energy: 0.8436005529031702
Energy: 0.7710574244534393
Energy: 0.8066117700683316
Energy: 0.9079720346411011
Energy: 0.8066117700700499
Energy: 0.7870242380265238
Energy: 0.8448656767996306
Energy: 0.9024330253886096
Energy: 0.8448656768002034
Energy: 0.7615752826361794
Energy: 0.8065052324873665
Energy: 0.9081981213497065
Energy: 0.806505232477056
Energy: 0.7870964431473605
Energy: 0.8539569788991718
Energy: 1.0757034379062087
Energy: 0.8539569789031813
Energy: 1.0136320608777507
Energy: 0.8636295012577283
Energy: 0.7777916856551884
Energy: 0.8636295012542915
Energy: 0.7970738512240149
Energy: 0.8620273788231495
Energy: 0.7791679158409792
Energy: 0.8620273788231495
Energy: 0.9031709960290505
Energy: 0.8639997470829429
Energy: 0.7701985006852965
Energy: 0.8639997470829429
Energy: 0.8253059238696786
Energy: 0.7939758966972439
Energy: 0.7738790946209702
Energy: 0.793975896693807
Energy: 1.1704966902285994
Energy: 0.863556500862187
Energy: 0.7705291158171177
Energy: 0.8635565008644783
Energy: 0.7972318044302606
Energy: 0.7856888181769046
Energy: 0.7733039854139043
Energy: 0.7856888181746134
Energy: 0.8806856003816292
Energy: 0.8636183114161732
Energy: 0.7791006603008508
Energy: 0.8636183114167459
Energy: 0.7841110697844874
Energy: 0.7854820617241981
Energy: 0.77975773462866
Energy: 0.7854820617224797
Energy: 0.7829661300507466
Energy: 0.9557830299623681
Energy: 0.9004018806302815
Energy: 0.9557830299635137
Energy: 0.7828047667959617
Energy: 0.803344310877163
Energy: 0.8998100696107006
Energy: 0.803344310880027
Energy: 0.7826880572368776
Energy: 0.7950870021709123
Energy: 0.9001039137993913
Energy: 0.7950870021732035
Energy: 0.7831458939023566
Energy: 0.8549513303926414
Energy: 0.899213152227697
Energy: 0.8549513303920685
Energy: 0.7841459271584011
Energy: 0.7859350528576529
Energy: 0.7796991838180272
Energy: 0.7859350528530705
Energy: 0.880966918248413
Energy: 0.8635922070090833
Energy: 0.7792875920514587
Energy: 0.8635922070056465
Energy: 0.7971583720328158
Energy: 0.7856950366880261
Energy: 0.772264434243899
Energy: 0.7856950366857349
Energy: 1.0839435620844644
Energy: 0.863895845143423
Energy: 0.7704689156100795
Energy: 0.863895845140559
Energy: 0.9211921231069978
Energy: 0.8108777586414043
Energy: 0.7721648423070392
Energy: 0.8108777586511421
Energy: 0.8045736872317503
Energy: 0.8640918376113823
Energy: 0.7701020879062894
Energy: 0.8640918376102368
Energy: 0.7968200992220227
Energy: 0.8619987401029069
Energy: 0.7792992643487542
Energy: 0.8619987401063437
Energy: 0.8907186829183903
Energy: 0.9709548709490249
Energy: 0.7776655434587803
Energy: 0.9709548709518889
Energy: 0.7871073376775073
Energy: 0.8447951017998215
Energy: 1.0760295063070784
Energy: 0.844795101795239
Energy: 0.7617862921362268
Energy: 0.8064625500971909
Energy: 0.9082054892944845
Energy: 0.8064625501280963
Energy: 0.7871812273279619
Energy: 0.8442712619747441
Energy: 1.0846307698300341
Energy: 0.8442712619787538
Energy: 0.7797313550665089
Energy: 0.8068699417948008
Energy: 0.9083019984836038
Energy: 0.8068699417982376
Energy: 0.7870525990269069
Energy: 0.9531859264426275
Energy: 0.8930760632555611
Energy: 0.9531859264397635
Energy: 0.8849267749722292
Energy: 0.806445305472502
Energy: 0.7774579924006623
Energy: 0.80644530547534

minimum gb energy = 0.7615752826361794 eV
minimum distance =  2.56072771236963 Angstroms
sigma value = 37


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

Energy: 0.9639063989594909
Energy: 0.769011178498945
Energy: 0.6886835083827236
Energy: 0.7690111784999305
Energy: 0.9069810048303065
Energy: 0.7490245355754576
Energy: 0.702415390819981
Energy: 0.7490245355764431
Energy: 0.7391285608341767
Energy: 0.8324139992592952
Energy: 0.6980285194877528
Energy: 0.8324139992602806
Energy: 0.8805787245749
Energy: 0.749316724640678
Energy: 0.715559974888941
Energy: 0.749316724640678
Energy: 0.7161914215688677
Energy: 0.7486815080603808
Energy: 0.7128917042862039
Energy: 0.7486815080613664
Energy: 0.7056537544466506
Energy: 0.7489821507138763
Energy: 0.8832394055000017
Energy: 0.7489821507128908
Energy: 0.7239914617674837
Energy: 0.7863830966371854
Energy: 0.9025585949770054
Energy: 0.786383096638171
Energy: 0.7048565813780869
Energy: 0.7498453450700491
Energy: 0.75263308759527
Energy: 0.7498453450710345
Energy: 0.7063976997970483
Energy: 0.7487059278109052
Energy: 0.7230604507925517
Energy: 0.7487059278109052
Energy: 1.1045296981323776
Energy: 0.8319293802732525
Energy: 0.8834148245453399
Energy: 0.831929380274238
Energy: 0.725386394508328
Energy: 0.8049822679654854
Energy: 0.878187387292659
Energy: 0.8049822679644999
Energy: 1.1325535617271871
Energy: 0.7493107088380628
Energy: 0.7147816538514108
Energy: 0.7493107088380628
Energy: 0.8830187853756959
Energy: 0.7485619517183053
Energy: 0.8629633789922642
Energy: 0.7485619517173199
Energy: 0.9010501047745725
Energy: 0.7829178985990402
Energy: 0.7031087430286244
Energy: 0.7829178986000256
Energy: 0.9315730972257756
Energy: 0.783795751143314
Energy: 0.7005647259943538
Energy: 0.783795751143314
Energy: 0.9272138030571108
Energy: 0.749251461949654
Energy: 0.70265112036313
Energy: 0.749251461949654
Energy: 0.8831063950992325
Energy: 0.8313854089454794
Energy: 0.6887071586256822
Energy: 0.8313854089464648
Energy: 0.8803732776148447
Energy: 0.805622658705764
Energy: 0.7148498511783452
Energy: 0.805622658705764
Energy: 0.7150241695262775
Energy: 0.7512371961585682
Energy: 0.7136417742393364
Energy: 0.7512371961585682
Energy: 0.7153332983465158
Energy: 0.7493559506615658
Energy: 0.8814856181794677
Energy: 0.7493559506615658

minimum gb energy = 0.6886835083827236 eV
minimum distance =  2.56624551008813 Angstroms
sigma value = 25


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

Energy: 0.66460982785349
Energy: 0.6255343790369142
Energy: 0.5939722013971057
Energy: 0.6255343790369142
Energy: 0.8922485567667261
Energy: 0.6430993704049252
Energy: 0.6276205803962791
Energy: 0.6430993704056946
Energy: 0.6247824805297508
Energy: 0.6241701197478356
Energy: 0.5941195002205538
Energy: 0.6241701197478356
Energy: 0.6145123879165453
Energy: 0.6428175542715585
Energy: 0.6276189939700015
Energy: 0.6428175542715585
Energy: 0.627471546113072
Energy: 0.6430739255243887
Energy: 0.6022135739635819
Energy: 0.6430739255228496
Energy: 0.5998229276572519
Energy: 0.6420510338177782
Energy: 0.6278854541310884
Energy: 0.6420510338170087
Energy: 0.6249449632808071
Energy: 0.6238659492489734
Energy: 0.6154410801481309
Energy: 0.6238659492489734
Energy: 0.5933099980667736
Energy: 0.6633212094191582
Energy: 0.6254766474803718
Energy: 0.6633212094191582
Energy: 0.6275989236620665
Energy: 0.6435169357764347
Energy: 0.8949518465045654
Energy: 0.6435169357772041
Energy: 0.5997992457574529
Energy: 0.6243380707161499
Energy: 0.6655515446074858
Energy: 0.6243380707146108
Energy: 0.6252268384320722
Energy: 0.6238682062432364
Energy: 1.1517928307080152
Energy: 0.6238682062432364
Energy: 0.9295351011059281
Energy: 0.6629845979449166
Energy: 0.6255160827284058
Energy: 0.662984597944147
Energy: 0.6273559571792086
Energy: 0.6429885135227729
Energy: 0.8787250772033162
Energy: 0.6429885135212338
Energy: 0.94466943312118
Energy: 0.6238149394507185
Energy: 0.6280120931477445
Energy: 0.6238149394553356
Energy: 0.6251063782025483
Energy: 0.6239335394450305
Energy: 0.602929435160422
Energy: 0.6239335394442609
Energy: 0.6151272526983579
Energy: 0.729135775272895
Energy: 0.6255833411637503
Energy: 0.729135775272895
Energy: 0.6273325463100089
Energy: 0.6630649010432339
Energy: 0.5927220266669654
Energy: 0.6630649010440034
Energy: 0.9059523393868232
Energy: 0.6429610348586123
Energy: 0.6277885861595995
Energy: 0.6429610348578428
Energy: 0.6674589080462286
Energy: 0.6241154009378275
Energy: 0.5997327682939071
Energy: 0.6241154009370579
Energy: 1.1506683681406182
Energy: 0.7318762859916316
Energy: 0.6252877431603866
Energy: 0.7318762859924012
Energy: 0.6274417720519058
Energy: 0.6630355314376908
Energy: 0.5890017967097184
Energy: 0.6630355314376908
Energy: 0.629350705900773
Energy: 0.6430335761779714
Energy: 0.627870560930043
Energy: 0.6430335761787409
Energy: 0.6254040787261872
Energy: 0.6237667585041377
Energy: 0.945887975597917
Energy: 0.6237667585041377
Energy: 0.6030407708406824
Energy: 0.7317956463312992
Energy: 0.6254292630748529
Energy: 0.7317956463305297
Energy: 0.6272217650495531
Energy: 0.7291458508225696
Energy: 0.9381109585693655
Energy: 0.7291458508241085
Energy: 0.6002449950978751
Energy: 0.6634281277538671
Energy: 0.6303233466643217
Energy: 0.6634281277546366

minimum gb energy = 0.5890017967097184 eV
minimum distance =  2.56880707863944 Angstroms
sigma value = 41


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

Energy: 1.0795832951143363
Energy: 0.5658992219419683
Energy: 0.5245844609089181
Energy: 0.5658992219419683
Energy: 1.0046451084913555
Energy: 0.5530371072414656
Energy: 0.5439114972232072
Energy: 0.5530371072433583
Energy: 0.5656310391525214
Energy: 0.5424008667219271
Energy: 0.5256219113343333
Energy: 0.5424008667231889
Energy: 0.7710314758611547
Energy: 0.5547276992366831
Energy: 0.5439474054153625
Energy: 0.5547276992385757
Energy: 0.5419248160257881
Energy: 0.580376449191837
Energy: 0.790143220407851
Energy: 0.5803764491937298
Energy: 0.5364856157562314
Energy: 0.5541952676531099
Energy: 0.5438592510826844
Energy: 0.5541952676543717
Energy: 0.5435868358153321
Energy: 0.5533085701688807
Energy: 0.537043976676551
Energy: 0.5533085701701423
Energy: 0.5299896726546195
Energy: 0.5658030822637186
Energy: 0.5423811087739194
Energy: 0.5658030822643207
Energy: 0.5427828266142456
Energy: 0.5658359572397781
Energy: 0.7722044251101453
Energy: 0.5658359572397781
Energy: 0.5264322370671165
Energy: 0.543320685795123
Energy: 0.5661303796952525
Energy: 0.5433206857925995
Energy: 0.5437480483087349
Energy: 0.5532895339093369
Energy: 1.0043220577990206
Energy: 0.553289533908706
Energy: 0.5300337093690711
Energy: 0.5666298919183973
Energy: 1.0125431875138298
Energy: 0.566629891919659
Energy: 0.5442241768949622
Energy: 0.5658126618040817
Energy: 1.0044619045776377
Energy: 0.5658126618009274
Energy: 0.80969200192284
Energy: 0.6226459636235937
Energy: 0.5662391423856042
Energy: 0.6226459636242245
Energy: 0.5435550977291399
Energy: 0.5533484902362644
Energy: 0.9936840241801232
Energy: 0.5533484902356337
Energy: 0.8182225206523666
Energy: 0.5665628962402484
Energy: 0.5423390469359847
Energy: 0.5665628962396174
Energy: 0.5439427404256858
Energy: 0.5655067942281833
Energy: 0.7619524034597166
Energy: 0.5655067942250288
Energy: 0.5376254750496582
Energy: 0.6226095346617516
Energy: 0.5440101271540468
Energy: 0.6226095346604898
Energy: 0.5435977425321972
Energy: 0.5656818917206538
Energy: 0.5287242039614788
Energy: 0.5656818917206538
Energy: 0.7800863279488442
Energy: 0.5658674883659397
Energy: 0.5427201766865137
Energy: 0.5658674883646779
Energy: 0.5673787724520842
Energy: 0.5651504548932603
Energy: 0.52478501845916
Energy: 0.5651504548932603
Energy: 1.2072443804044262
Energy: 0.580870004964166
Energy: 0.5440737446636458
Energy: 0.5808700049672917
Energy: 1.0099263096860844
Energy: 0.5651305437891012
Energy: 0.5286735413722489
Energy: 0.5651305437884702
Energy: 1.0127608301644082
Energy: 0.5658846726899901
Energy: 0.5424416612700738
Energy: 0.5658846726830503
Energy: 0.5675917868625818
Energy: 0.6213260989235673
Energy: 0.5218409720192153
Energy: 0.6213260989229366
Energy: 0.9934668594125443
Energy: 0.5808389378286385
Energy: 0.5441175872542031
Energy: 0.5808389378273767
Energy: 0.5436565087288942
Energy: 0.5654400153911012
Energy: 0.8178381584028114
Energy: 0.5654400153904704
Energy: 0.5447371843640774
Energy: 0.5651600047362001
Energy: 0.5427396864860509
Energy: 0.5651600047374618
Energy: 0.5443376727208313
Energy: 0.621168910953581
Energy: 0.8184022078185812
Energy: 0.621168910953581
Energy: 0.528590060036763
Energy: 0.5955783089519618
Energy: 0.5454256415169765
Energy: 0.5955783089513309
Energy: 0.5434616172287582
Energy: 0.5652122220993698
Energy: 0.8290025223276422
Energy: 0.565212222098739
Energy: 0.5297198646821231
Energy: 0.564869741502304
Energy: 0.5695672277189565
Energy: 0.5648697415060893

minimum gb energy = 0.5218409720192153 eV
minimum distance =  2.56241641698378 Angstroms
sigma value = 15


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

Energy: 0.9042212095218309
Energy: 0.5014547844209393
Energy: 0.47465439692333616
Energy: 0.5014547844236115
Energy: 1.0681588229835475
Energy: 0.4988631163622112
Energy: 0.49970032934925634
Energy: 0.49886311636274566
Energy: 0.5185990373348639
Energy: 0.4984004166662682
Energy: 0.4748432367980046
Energy: 0.4984004166662682
Energy: 0.8843706857594192
Energy: 0.49905932508332473
Energy: 0.49969947477213134
Energy: 0.4990593250971963
Energy: 0.4983787976461251
Energy: 0.5003504029418081
Energy: 0.742137652597153
Energy: 0.5003504029423426
Energy: 0.6847291292121328
Energy: 0.499024000235959
Energy: 0.4997507248312956
Energy: 0.499024000235959
Energy: 0.4995662468791653
Energy: 0.5080376201978722
Energy: 0.48262671878172697
Energy: 0.5080376201978722
Energy: 0.4831969041300319
Energy: 0.5085459163396215
Energy: 0.49966584408623077
Energy: 0.508545916338018
Energy: 0.5004415512044533
Energy: 0.5092951013814146
Energy: 0.6846113235686621
Energy: 0.5092951013814146
Energy: 0.47863077732574133
Energy: 0.4995720689162144
Energy: 0.49857077831041785
Energy: 0.4995720689124733
Energy: 0.49943231666097393
Energy: 0.49914721457177375
Energy: 0.884309092704208
Energy: 0.49914721457177375
Energy: 0.4760157404042831
Energy: 0.4986992804014348
Energy: 0.5186548159747357
Energy: 0.49869928040357264
Energy: 0.5004110609716165
Energy: 0.5095104550404025
Energy: 1.067734249458944
Energy: 0.5095104550414714
Energy: 0.4785307205155973
Energy: 0.4994836988876021
Energy: 0.9027547483666807
Energy: 0.49948369888599875
Energy: 0.49942964157201947
Energy: 0.4991850530275983
Energy: 1.2458621007358408
Energy: 0.49918505302920163
Energy: 0.7207582989771474
Energy: 0.4986791321336336
Energy: 0.5188244055296864
Energy: 0.49867913213149573
Energy: 0.5003741519559994
Energy: 0.5090989151043535
Energy: 1.060675784681004
Energy: 0.50909891510275
Energy: 0.7266743290831642
Energy: 0.4986841474134611
Energy: 0.4985820679586337
Energy: 0.49868414743109807
Energy: 0.49943762168580996
Energy: 0.49874777949513927
Energy: 0.87888912491906
Energy: 0.4987477794903291
Energy: 0.4833278636592385
Energy: 0.49903044068018
Energy: 0.49981461142205286
Energy: 0.49903044068178337
Energy: 0.5003457326177909
Energy: 0.5185754803557618
Energy: 0.6770216446545371
Energy: 0.518575480361641
Energy: 0.4968335371868887
Energy: 0.5085448233536404
Energy: 0.4993130181982635
Energy: 0.5085448233547093
Energy: 0.49964214602996815
Energy: 0.49907133641730744
Energy: 0.47738642518843294
Energy: 0.49907133640931495
Energy: 0.8847562234513738
Energy: 0.49941426751960677
Energy: 0.49985879519830745
Energy: 0.4994142675169346
Energy: 0.5196458336406112
Energy: 0.5185521994419412
Energy: 0.4754061310103506
Energy: 0.5185521994403378
Energy: 1.0740537909741443
Energy: 0.5085345456442473
Energy: 0.49986954903999914
Energy: 0.5085345456431782
Energy: 0.9016957854246277
Energy: 0.4986746386558003
Energy: 0.47717604690325566
Energy: 0.49867463866007594
Energy: 1.244000025617673
Energy: 0.49926318151490834
Energy: 0.499836764710706
Energy: 0.49926318151383947
Energy: 0.5194706362461926
Energy: 0.5177542545577052
Energy: 0.47257027113537625
Energy: 0.5177542545544985
Energy: 0.890153095665084
Energy: 0.5081773286681223
Energy: 0.5007196590125513
Energy: 0.5081773286670535
Energy: 0.4995134388599166
Energy: 0.49807199465249763
Energy: 0.7255352512771513
Energy: 0.4980719946508943
Energy: 0.8769358972666679
Energy: 0.4985332023545204
Energy: 0.4999621912346666
Energy: 0.4985332023571927
Energy: 0.500504096201111
Energy: 0.5178702404265539
Energy: 0.7266443117741498
Energy: 0.5178702404286919
Energy: 0.48641054195416294
Energy: 0.5182023985926085
Energy: 0.5006797330020099
Energy: 0.5182023985942119
Energy: 0.49312345867276053
Energy: 0.49830284453886076
Energy: 0.7362648048428914
Energy: 0.49830284453886076
Energy: 0.4761206278593924
Energy: 0.49884307275022133
Energy: 0.5008505827144789
Energy: 0.4988430727491524
Energy: 0.5005575784388172
Energy: 0.5645510154712688
Energy: 1.0988417809726367
Energy: 0.5645510154760789

minimum gb energy = 0.47257027113537625 eV
minimum distance =  2.56499656073428 Angstroms
sigma value = 85


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

Energy: 0.8722103888244486
Energy: 0.48620785357007357
Energy: 0.4157339203231451
Energy: 0.48620785357053714
Energy: 1.117618162542988
Energy: 0.48385392972259594
Energy: 0.45700129433967396
Energy: 0.48385392972120533
Energy: 0.8146165896290809
Energy: 0.4841619303147524
Energy: 0.41568169892981616
Energy: 0.48416193031428884
Energy: 0.9564063348540637
Energy: 0.48389893066530154
Energy: 0.4569980649596567
Energy: 0.48389893066530154
Energy: 0.48343255765408283
Energy: 0.45616100095241885
Energy: 0.41919644402683115
Energy: 0.4561610009528824
Energy: 0.7938838793059796
Energy: 0.4847553105657947
Energy: 0.4570018231919233
Energy: 0.4847553105662582
Energy: 0.4555760332738358
Energy: 0.4989859943071443
Energy: 0.40442276290921253
Energy: 0.49898599430760776
Energy: 0.6125547740815036
Energy: 0.4846658828715243
Energy: 0.4569551970671423
Energy: 0.4846658828719878
Energy: 0.4567034903858589
Energy: 0.4690894960840437
Energy: 0.613719474018557
Energy: 0.4690894960770907
Energy: 0.4111416879144497
Energy: 0.4990895925783383
Energy: 0.4559891051226395
Energy: 0.4990895925769477
Energy: 0.45756395398537375
Energy: 0.4837924617964195
Energy: 0.793967326669434
Energy: 0.48379246179502894
Energy: 0.4190411553597687
Energy: 0.4836246263695506
Energy: 0.48372804043697665
Energy: 0.4836246263676965
Energy: 0.45674439475783285
Energy: 0.46928209868162435
Energy: 0.9559829171898369
Energy: 0.4692820986825514
Energy: 0.4154516108083319
Energy: 0.48462435888976907
Energy: 0.8123197534865205
Energy: 0.4846243588865244
Energy: 0.45768087929795803
Energy: 0.48386894909657774
Energy: 1.2604859762438294
Energy: 0.4838689490993589
Energy: 0.41889848354751924
Energy: 0.4862599061592657
Energy: 0.8360776512483559
Energy: 0.48625990616019277
Energy: 0.45677174902216056
Energy: 0.46928235122156364
Energy: 1.2603289750913047
Energy: 0.46928235122063655
Energy: 0.6303657916145652
Energy: 0.48433942935266855
Energy: 0.8123303639671776
Energy: 0.4843394293531321
Energy: 0.45762938058857094
Energy: 0.48390605225755773
Energy: 1.0982937504786519
Energy: 0.48390605225663075
Energy: 0.6363572596558216
Energy: 0.4861222465289446
Energy: 0.4837266669668858
Energy: 0.486122246535434
Energy: 0.45674568853143505
Energy: 0.4693047418157192
Energy: 0.9352325854525052
Energy: 0.4693047418157192
Energy: 0.6381443562708207
Energy: 0.4839690355701414
Energy: 0.4558881480028678
Energy: 0.4839690355701414
Energy: 0.4577283081048244
Energy: 0.48338591740662085
Energy: 0.7701948612355239
Energy: 0.48338591740801146
Energy: 0.6527483457134753
Energy: 0.4988005609379196
Energy: 0.4569617021706085
Energy: 0.49880056093838304
Energy: 0.45668461496929236
Energy: 0.4832988401085855
Energy: 0.5958323003697972
Energy: 0.48329884010904905
Energy: 0.7944051934659111
Energy: 0.4840237232346765
Energy: 0.45658174770294835
Energy: 0.48402372323235887
Energy: 0.48467451353781177
Energy: 0.48327022428398947
Energy: 0.42082278360885966
Energy: 0.4832702242825989
Energy: 0.9520499562429413
Energy: 0.49863726222348403
Energy: 0.4569988154997824
Energy: 0.49863726222116633
Energy: 0.8121707724911786
Energy: 0.48311676007339815
Energy: 0.41507854749512235
Energy: 0.4831167600720076
Energy: 1.2642248742631628
Energy: 0.4841251826107766
Energy: 0.4568440075257933
Energy: 0.4841251826158755
Energy: 0.8379186416124211
Energy: 0.48345241372471837
Energy: 0.41854641889383976
Energy: 0.4834524137233278
Energy: 1.1140642354935495
Energy: 0.49858409391653064
Energy: 0.4570751681676082
Energy: 0.49858409391328584
Energy: 0.8120535415969351
Energy: 0.48308647992666665
Energy: 0.41403795725056575
Energy: 0.48308647992573955
Energy: 1.098323280664885
Energy: 0.4842000670774875
Energy: 0.4583965812189994
Energy: 0.4842000670765605
Energy: 0.4846466787560477
Energy: 0.48319803401507744
Energy: 0.6390303867578255
Energy: 0.48319803401646805
Energy: 0.7870517036724166
Energy: 0.4987197132872286
Energy: 0.4570297178708339
Energy: 0.4987197132872286
Energy: 0.4566920490111076
Energy: 0.4830571521140342
Energy: 0.6369123484423197
Energy: 0.48305715211357064
Energy: 0.7702448384138425
Energy: 0.48310402904821587
Energy: 0.4584570262777995
Energy: 0.48310402904821587
Energy: 0.4577621199305526
Energy: 0.4832446807166934
Energy: 0.6515099818321294
Energy: 0.483244680718084
Energy: 0.43496584391333354
Energy: 0.5136416787398517
Energy: 0.4579932001438122
Energy: 0.5136416787407787
Energy: 0.45682366629145277
Energy: 0.4830748554268106
Energy: 0.9759091502328371
Energy: 0.4830748554309824
Energy: 0.4201344537050095
Energy: 0.48307710902651707
Energy: 0.4862332368635526
Energy: 0.48307710902698053
Energy: 0.4577406910621452
Energy: 0.48330116029911274
Energy: 0.9873830588472511
Energy: 0.48330116030050335

minimum gb energy = 0.40442276290921253 eV
minimum distance =  2.57995521101264 Angstroms
sigma value = 113


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

Energy: 0.010286709623830966
Energy: 0.010830271130417145
Energy: 0.5618255241701616
Energy: 0.010830271130417145
Energy: 0.5616745904534883
Energy: 0.16934370390207223
Energy: 0.16912750759310788
Energy: 0.16934370390102302
Energy: 0.010286709623830966
Energy: 0.010830271130417145
Energy: 0.5619098921256983
Energy: 0.010830271130060807
Energy: 0.5616745904534883
Energy: 0.16934370390207223
Energy: 0.16912479647578463
Energy: 0.16934370390102302
Energy: 0.010286709623830966
Energy: 0.010830271130753688
Energy: 0.5619074269625438
Energy: 0.010830271130417145
Energy: 0.5616745904531321
Energy: 0.16934370390171588
Energy: 0.16912863426998725
Energy: 0.1693437039003301

minimum gb energy = 0.010286709623830966 eV
minimum distance =  2.83335590999579 Angstroms
sigma value = 1