Model name: model_name=MEAM_LAMMPS_LeeBaskesKim_2001_Mo__MO_805823015127_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1465589553117748
cohesive_energy=6.81053564033844
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 3.649758372252e-19, 4.3015879140285597e-19, 4.86307071541386e-19, 5.35364117897832e-19, 6.2210115433268995e-19, 7.810835395478759e-19, 8.2615437043893e-19, 8.66191162345956e-19, 9.0184119462909e-19, 9.3351622668327e-19, 9.61559124308172e-19, 9.862582792979158e-19, 1.0078588246775039e-18, 1.026577054292526e-18, 1.0426004228091599e-18, 1.0560907500674399e-18, 1.0671970384943278e-18, 1.076047462220544e-18, 1.08275898014037e-18, 1.087440540264918e-18, 1.09018506883896e-18, 1.0910822877539998e-18, 1.090114573067064e-18, 1.0869727046877898e-18, 1.0812577406343119e-18, 1.072485823563162e-18, 1.060083374239368e-18, 1.043355048003774e-18, 1.021464508653432e-18, 9.933895674958498e-19, 9.57888537639678e-19, 9.1342493169291e-19, 8.58104976874158e-19, 7.895606561183699e-19, 7.04818329592842e-19, 6.001048713245039e-19, 4.705913209384799e-19, 3.10017974325732e-19, 1.1020652085800699e-19, -1.397165316266628e-19, -4.54375691225766e-19, -8.538223587314759e-19, -1.3660157981483999e-18, -2.03085501419304e-18, -2.9066368058701197e-18, -4.0812085180218594e-18, -5.6915242093225795e-18, -7.96014223600122e-18, -1.1267883962193239e-17, -1.63095172634664e-17, -2.44631543715558e-17, -3.8787895220823e-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: 0.01733575205083357
Energy: -362.0819902912614
Energy: 0.22595855282269076
Energy: 0.22617138695192485
Energy: 0.2263055990421271
Energy: 0.018220799315395827
Energy: -362.0819902912614
Energy: -362.7315679005229
Energy: 0.22597179819386104
Energy: 0.2260751287376527
Energy: 0.22593304168607184
Energy: -362.5104768829129
Energy: 0.22595855282269076
Energy: 0.225971798194275
Energy: -362.35866045834194
Energy: 0.01803223342664167
Energy: 0.22610908940030244
Energy: 0.22620714580751417
Energy: 0.22617138695192485
Energy: 0.2260751287376527
Energy: 0.01803223342664167
Energy: 0.017519530474012602
Energy: -363.3922877583296
Energy: 0.2261123323676954
Energy: 0.2263055990421271
Energy: 0.22593304168648576
Energy: 0.22610908940108435
Energy: -363.3922877585237
Energy: 1.651858014035646
Energy: 0.22616351150748396
Energy: 0.0182207993162237
Energy: -362.5104768829008
Energy: 0.2262071458079281
Energy: 0.22611233236810932
Energy: 0.22616351150748396
Energy: 0.017760050113261146

minimum gb energy = -363.3922877585237 eV
minimum distance =  2.72224250079375 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 2.494031371470702
Energy: -85.24161479858698
Energy: 1.845333447190554
Energy: 1.8896006893304482
Energy: 1.8346201826413853
Energy: 1.7583794699029358
Energy: -85.01509017898066
Energy: 1.8072917293081214
Energy: 1.7889842704905343
Energy: 1.794647618168535
Energy: 1.7897407316905884
Energy: 2.0375215822965065
Energy: 1.9833633534194375
Energy: 1.7885858699366965
Energy: 1.830597730150938
Energy: 2.1721336313574064
Energy: 1.8062717813043905
Energy: 1.7942862929391774
Energy: 1.8328770749585968
Energy: 1.8769543119262588
Energy: 1.877876376215099
Energy: 1.9918011883202362
Energy: 1.8547845557186788
Energy: 1.8136187983788747
Energy: 1.9957989547278345
Energy: 1.912410502194369
Energy: 1.8916767434212622
Energy: 1.9209918249306515
Energy: 1.8043652210666108
Energy: 1.789298652453697
Energy: -103.04422996352659
Energy: 1.7770211192392746
Energy: 1.779370324813989
Energy: 1.7948996335537826
Energy: 1.7745235621517628
Energy: 1.8634894786657212
Energy: -115.61239593005146
Energy: 1.776499561475317
Energy: 1.780264991108546
Energy: -87.59030772110563
Energy: 1.781344783699458
Energy: 1.7810533940160522
Energy: 2.061289893196021
Energy: 2.002135889755353
Energy: 1.8330460168561042
Energy: 1.8456492713891222
Energy: 1.8211469327456957
Energy: 1.9085773709113922
Energy: 2.2853205534894343
Energy: 1.860857424585385
Energy: 1.8275340456354376
Energy: 2.1025131609186554
Energy: 1.7700591753042885
Energy: -87.06788779888367
Energy: 2.287007018738077
Energy: -87.54790684461494
Energy: 1.835775532618051
Energy: 2.019949135978475
Energy: 1.7747692276507727
Energy: 1.9330650460637209
Energy: 2.058385205975051
Energy: 1.8545176901581422
Energy: 1.8394756282857585
Energy: 1.9603994309032606
Energy: 1.8943663071842365
Energy: 1.9008267553714595
Energy: 1.835836662655151
Energy: 1.8039858055453317
Energy: 1.7517129606599724
Energy: -177.86273214588752
Energy: 1.8041368272074472
Energy: 1.8365640136549133
Energy: 1.8442934636518877
Energy: 1.79434186028401
Energy: 1.752130740251264
Energy: -116.0212391404035
Energy: 1.8075354437527487
Energy: 1.7972743277264815
Energy: 2.3677242177109297
Energy: 1.8394137005862263
Energy: 1.7914827571271577
Energy: 1.845149691244867
Energy: 2.132400894982713
Energy: 1.9027415724272896
Energy: 2.1950124295073783
Energy: -87.10131842619838
Energy: 1.9560947907440085
Energy: 1.794439221180473
Energy: 1.8470324211117866
Energy: 1.8509802750850748
Energy: 2.1687149930003935
Energy: 1.941287330304729
Energy: 1.7901166758286382
Energy: 1.8380897959374927
Energy: 1.7921519605392129
Energy: -176.78513987262633
Energy: 2.079347639207304
Energy: 1.7867114277772178
Energy: 2.0834193837261346
Energy: 1.9257400243555047
Energy: 1.7773341189909846
Energy: 2.0160279124038154
Energy: -87.58885258728706
Energy: 1.7808285827538717
Energy: 1.8179307414699972
Energy: -177.76484200053693
Energy: 1.8439235981570794
Energy: 1.8656342150486362
Energy: -87.98822916390584
Energy: 1.773187762277968
Energy: 2.0730880511046963
Energy: 1.948490383557652
Energy: 1.774883295829911
Energy: 1.9022717555049835
Energy: 2.1884858302087875
Energy: 1.8279562700884306
Energy: 1.9890302141392948
Energy: 1.9686117347102925
Energy: 1.7769454189008151
Energy: 1.8324625737901572
Energy: 2.06947916633338
Energy: 1.834374596649108
Energy: 1.9540080714796246
Energy: 2.1226988087411254
Energy: 1.787325489157935
Energy: 1.8303929886016772
Energy: 2.2239511482234806
Energy: 1.8726921862909118
Energy: 1.8531553513683645
Energy: 2.306983940700456
Energy: 1.7681950965627191
Energy: 1.8365315252335486
Energy: 2.0288120589266616
Energy: 1.8052541455621827
Energy: 1.7920296388246846
Energy: 1.8372290291025661
Energy: 1.789196653172465
Energy: -86.51503417400723

minimum gb energy = -177.86273214588752 eV
minimum distance =  0.00568806923218684 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: -76.33186278744425
Energy: -20.176024074938347
Energy: 2.071248662006532
Energy: 2.016209305320653
Energy: 2.0976595456510543
Energy: 1.8597871038424396
Energy: -20.01151661746091
Energy: 1.921831059190749
Energy: 1.8889991069426468
Energy: 1.8990744867183111
Energy: 1.9018061134969464
Energy: 1.8948275715213618
Energy: 2.193518092673672
Energy: 1.8550839617821773
Energy: 1.838997992897807
Energy: 2.464321676240471
Energy: 1.8500137184539205
Energy: 1.846057738876357
Energy: 1.9311797856287019
Energy: 1.9146920799316538
Energy: -54.14377362480879
Energy: -99.96229854094496
Energy: 1.9176312864649578
Energy: 1.926535032032341
Energy: 1.9812129350470704
Energy: 1.856484367359552
Energy: 2.1151979099697757
Energy: 2.025995171494246
Energy: 1.939122917092405
Energy: 1.855582812337604
Energy: 2.379835275104851
Energy: 1.951915046829126
Energy: 1.9062874348926775
Energy: 2.2633515903745614
Energy: 1.891521474831216
Energy: 2.0069539459376804
Energy: 2.3800734162791626
Energy: 1.963790404645854
Energy: 1.905934558973956
Energy: 2.3119011713663538
Energy: 1.8426885343087458
Energy: 1.910209559098816
Energy: 2.1920678749961446
Energy: 2.1403772919229236
Energy: 1.9867678218896474
Energy: 2.100900596072339
Energy: 1.9062699802795853
Energy: 2.09386379485988
Energy: -99.65767554248609
Energy: 1.8778365403594763
Energy: 1.8879380980592557
Energy: 1.927000201949452
Energy: 1.8402674972466468
Energy: -21.224246625570213
Energy: 2.4664614450813707
Energy: -21.759717837357613
Energy: 1.8861009661880772
Energy: 1.8978667056175529
Energy: 1.8759893115950301
Energy: -58.0888640213193
Energy: 2.161297877949042
Energy: 2.1324757151734604
Energy: 1.8669643379324443
Energy: 2.142811960858021
Energy: 1.984982850749489
Energy: 1.9871114742325144
Energy: 1.9399662553791457
Energy: 2.008501716898738
Energy: -72.15826311322567
Energy: 2.335414482515489
Energy: 2.0324110410009646
Energy: 1.9082282199405287
Energy: 1.9114183433690306
Energy: 1.9316240777939437
Energy: -72.31391038603925
Energy: 2.385007287816904
Energy: 1.9950129535055758
Energy: 1.8840743647333078
Energy: 2.077536347538232
Energy: 2.3700494884340264
Energy: 1.9891166528514461
Energy: 2.154379810855264
Energy: 1.9054609086590715
Energy: 2.1181108427425155
Energy: 2.438557985487171
Energy: 1.815373785321638
Energy: 1.8625180075944194
Energy: 2.0527668512356603
Energy: 1.8567268603448162
Energy: -74.02511847342244
Energy: -74.09634707068386
Energy: 1.8203697680905153
Energy: 1.9286276339492714
Energy: -23.38872188916387
Energy: 1.8163143629273415
Energy: 1.8287297595376069
Energy: 2.1283336526627825
Energy: 2.3119110376260252
Energy: 1.9139606213120894
Energy: 2.0902839810450966
Energy: 1.8835836431839976
Energy: 2.2759707319501037
Energy: 2.460108941940228
Energy: 1.8845815152766785
Energy: 1.902943968037734
Energy: 2.152544229447917
Energy: 1.8507151766285543
Energy: 2.0857836307860715
Energy: 2.48418023187394
Energy: 1.9183129337462805
Energy: 1.8944373263334537
Energy: 2.0789032318220504
Energy: 1.8608066957754392
Energy: -22.119584929496042
Energy: 1.9367181519999106
Energy: 1.8560034404460275
Energy: 1.8733347735961692
Energy: 1.8504820324049747
Energy: 1.8520473434367817
Energy: 1.8546008197788202
Energy: 1.8961697630980199
Energy: 1.9420307939379986
Energy: -98.85042050433641
Energy: -99.84755317955938
Energy: 1.8558200486759842
Energy: 2.0059818753827363
Energy: 2.061058303160829
Energy: 1.89280394193483
Energy: 1.8905006547071714
Energy: 2.329297884519624
Energy: 1.9314402579853005
Energy: 1.8648223509359845
Energy: -73.6935307653783
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Energy: 1.9133715154171738
Energy: 1.8511783042191963
Energy: 1.9098380807470297
Energy: 2.1973541563671604
Energy: -82.88282535975331
Energy: -74.05133716389653
Energy: 1.9855974615935992
Energy: 1.992441211589202
Energy: 1.9489807589248802
Energy: 1.8242233420309035
Energy: 2.3098635382296284
Energy: 2.2958922814069465
Energy: 1.8800697311993317
Energy: 1.9867998804667795
Energy: 1.876367296062396
Energy: 2.2255627260467667
Energy: 2.328630004613735
Energy: 1.8896587823114483
Energy: 1.9993979977506677
Energy: 2.3613065025106317
Energy: 1.889618305487655
Energy: 2.1185747380029496
Energy: 2.3196681036245046
Energy: 1.912480759957788
Energy: 1.917897998607806
Energy: -74.56802701524323
Energy: 1.8844164591062245
Energy: -22.679372277855308
Energy: 2.1601446969442715
Energy: 1.893618031894035
Energy: 1.8366614579314517
Energy: 2.0727248813807133
Energy: 1.835556161100221
Energy: 2.0307784542532277
Energy: 1.9397652530428557
Energy: 1.8637067979998085
Energy: 1.993003301566282
Energy: 2.137765591286542
Energy: 1.8761070288747888
Energy: 1.8868474501914256
Energy: 1.9733534438468794
Energy: 1.8884877547830952
Energy: 1.8535720603932855
Energy: 2.5501798131345317
Energy: 1.8846809194799972
Energy: 1.8900983319555604
Energy: 2.2054682465725097
Energy: 1.8778260963607374
Energy: 2.3300938825472386
Energy: -22.160901706033243
Energy: 2.18893655123984
Energy: 1.8630225969394933
Energy: -99.39131037238188
Energy: 1.8919083389497424
Energy: 1.909646721653553
Energy: 1.8980369522096079
Energy: 1.9011140077260007
Energy: 1.9656246243568256
Energy: 2.3935504023515337
Energy: -72.90358211551471
Energy: 1.9646056690790783
Energy: 1.908722649651036
Energy: 1.9114511724699772
Energy: -78.19319324442323
Energy: 2.3971780055230325
Energy: 1.9151513147529289
Energy: 1.983874061607229
Energy: 1.9951792341883883
Energy: 2.1125151706354806
Energy: 1.8837860692059432
Energy: 2.1431279733948028
Energy: 1.841466561992347
Energy: 1.842358838890773
Energy: 2.4390378733455935
Energy: 1.8219196032605132
Energy: 1.8595324208974187
Energy: -23.159752255766815
Energy: 1.8424268173292717
Energy: 1.8428084803948432
Energy: -73.83962155460432
Energy: 1.8405520853577741
Energy: 1.9292770155068932
Energy: 2.0771938988007235
Energy: 2.0237536326567445
Energy: 2.296035919960044
Energy: 2.060062166524299
Energy: 2.1209295131006742
Energy: 2.037606047224651
Energy: 2.1066784416043736
Energy: 1.8781056571242543
Energy: 1.8274134790379863
Energy: 2.4629459200055925
Energy: 1.8262910552746865
Energy: 2.0271203106716156
Energy: 2.1762846439640833
Energy: 1.8552238650498387
Energy: -22.20476308744383
Energy: -27.20810470523348
Energy: 1.8214567982620955
Energy: 1.8570711622182892
Energy: 2.4912848044591667
Energy: 1.8425249146204206
Energy: 2.0074411803498236
Energy: 1.9229636520139377
Energy: 2.0270057235422074
Energy: 1.8976801205791294
Energy: -22.50336806866395
Energy: -20.549493100230674
Energy: 1.9774446617696873
Energy: 1.8961412655061038
Energy: 2.037078841879362
Energy: 1.8516742202647425

minimum gb energy = -99.96229854094496 eV
minimum distance =  2.15011671406823 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 3.0619310667976425
Energy: -114.22256194621735
Energy: 1.939516704752011
Energy: 2.046226913275698
Energy: 1.9654755797315628
Energy: 1.7466602957460806
Energy: -114.14701376659363
Energy: 1.7664368605601328
Energy: 1.822825941144505
Energy: 1.8164522523297038
Energy: 1.8229075310785818
Energy: 1.7659915089158982
Energy: 2.2046875708142872
Energy: 1.8169010102714287
Energy: 1.8192858832448915
Energy: -234.01933888942764
Energy: 1.8196911131936435
Energy: 1.8164055076693715
Energy: 1.9322284871757522
Energy: 1.8227370159530902
Energy: -234.39723984948282
Energy: 2.343446446829483
Energy: 1.8612384254765353
Energy: 1.81906969252002
Energy: 2.198540556371151
Energy: 1.8325657162699789
Energy: 2.098633654651933
Energy: 1.8533171653341023
Energy: 1.8139353517863914
Energy: 1.8332534336013298
Energy: 2.351482385380857
Energy: 1.7582165738427182
Energy: 1.7527779581262755
Energy: 1.8236596213925977
Energy: 1.7528992905703615
Energy: 1.7566820218437698
Energy: 2.350623301610718
Energy: 1.7583282913931633
Energy: -115.85204745442877
Energy: 1.9878299101803754
Energy: 1.7558475666811522
Energy: 1.955136642557707
Energy: 2.217821051906048
Energy: 2.0680050976982063
Energy: 2.0540121644150506
Energy: 1.8521578629521063
Energy: 1.7531241012441006
Energy: 2.102774612092923
Energy: 2.2999293390288633
Energy: 1.819778180945373
Energy: 1.8194203235245867
Energy: 1.930489405283942
Energy: 1.8193817865484894
Energy: 1.726950930035781
Energy: 2.6573083589961772
Energy: -114.29773554184612
Energy: 1.9061365446345904
Energy: 1.840340496633506
Energy: 1.871100149721549
Energy: 1.737718535789588
Energy: 2.240095788175824
Energy: 2.097097138488065
Energy: 1.832651923976098
Energy: 2.2931219375723972
Energy: 2.0951378944608625
Energy: 1.824369681175612
Energy: 2.2052956657273732
Energy: 1.8203356757047513
Energy: 2.1598677195510243
Energy: 2.3441714715267974
Energy: 1.8179323104020833
Energy: 1.8219870276420222
Energy: 1.9304886756696606
Energy: 1.817404943895647
Energy: 1.8178808278788106
Energy: 2.3442212643891707
Energy: 1.8189356211800924
Energy: 1.8169246829235348
Energy: 2.2311526745845542
Energy: 2.055642725675004
Energy: 2.0988847772031662
Energy: 2.201559564420519
Energy: 2.0873129024928554
Energy: 1.8316949419830149
Energy: 2.3524109318533286
Energy: 1.7535728304145972
Energy: 1.7577530665280359
Energy: 1.9873469972497262
Energy: 1.753738036019732
Energy: 1.753893726071965
Energy: 2.5762010573892264
Energy: 1.9251456521902375
Energy: -115.93730830154638
Energy: 1.9883013536719156
Energy: 1.7536280816385614
Energy: 1.7543344544721289
Energy: 2.3100315401009404
Energy: 2.0961773216572683
Energy: 2.0801631635353464
Energy: 1.9313044019385568
Energy: 2.05665686364156
Energy: 2.112249569146505
Energy: 2.6667819953167484
Energy: -114.60354495710405
Energy: 1.861955290802139
Energy: 1.943758710304408
Energy: 1.8168248228641044
Energy: 1.7318294184404102

minimum gb energy = -234.39723984948282 eV
minimum distance =  2.22046148869734 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 2.81113454199639
Energy: -65.10066993886835
Energy: 2.0139143902133627
Energy: 2.1778918002736587
Energy: 2.041918328224326
Energy: -137.89628695441704
Energy: -64.92271398306508
Energy: 1.8612089978056312
Energy: 1.8736170257389315
Energy: 1.8822348582461395
Energy: 1.8747249244553463
Energy: 1.8498515619029634
Energy: 2.2791668916062404
Energy: 1.8306115789360697
Energy: 1.8277395350049714
Energy: -137.7695847348326
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Energy: 2.2913335154286814
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Energy: 1.8343913878929934
Energy: 2.314652155644535
Energy: 1.8325285851537623
Energy: 1.8695117523701676
Energy: 2.0580696817648376
Energy: 1.8674344140599908
Energy: 1.836464302719063
Energy: 2.5875735690066
Energy: 1.8591895529613875
Energy: 1.8611419874402473
Energy: 1.912458720147648
Energy: 1.8592111099774566
Energy: -137.23837167193054
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Energy: 1.8598848300710564
Energy: 1.8623415953640134
Energy: 1.9252455144868235
Energy: 2.0175265661338204
Energy: 1.8325394653772673
Energy: 2.2146514390412704
Energy: 1.8285557096035812
Energy: 2.099703634213162
Energy: -67.69758762395175
Energy: 1.8567945293787378
Energy: 1.8558350226615943
Energy: -66.97071104091785
Energy: 1.8554215773837972
Energy: 1.9333283963088528
Energy: 2.576270816045536
Energy: 1.838232176693632
Energy: 1.9346635095290352
Energy: 2.1688190012047954
Energy: 1.8310836416012228
Energy: 1.833263531910216
Energy: 2.1565579547164644
Energy: 1.832542735707004
Energy: 1.9317149553101518
Energy: 1.9921021266429173
Energy: 1.9015679317313177
Energy: 1.8323784804615957
Energy: 2.6783314184808
Energy: -65.74033127089314
Energy: 1.8590809126453103
Energy: 1.9144995114327679
Energy: 1.859092063152547
Energy: -78.88948278396302

minimum gb energy = -138.938454327684 eV
minimum distance =  0.00568318969128024 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 2.8618621001522544
Energy: -82.18290619877025
Energy: 2.1805598204555094
Energy: 2.1134565691884353
Energy: 2.246780759404242
Energy: 1.901922706895972
Energy: -82.01506353068523
Energy: 2.00175697343848
Energy: 2.0097606831320065
Energy: 1.9576119141178154
Energy: 2.2332482840089534
Energy: 1.9090304085248602
Energy: 2.4446461323557913
Energy: 2.0910752356507554
Energy: 2.084548119346795
Energy: -93.221303483236
Energy: 2.084660397599444
Energy: 2.0790039615017895
Energy: -83.5059549694566
Energy: 2.112796961415945
Energy: 2.0847268549817044
Energy: -123.97086009138398
Energy: 2.115180505191742
Energy: 2.0787120167171658
Energy: -83.9151678689777
Energy: 2.11910472098772
Energy: 2.0163796084597623
Energy: 1.648222219738377
Energy: 1.684522567393954
Energy: 2.084228802594979
Energy: 2.470939793019158
Energy: 1.6776242701103972
Energy: 1.6843541605880166
Energy: 1.7453434650506288
Energy: 1.6853849206134541
Energy: 1.6771792512664527
Energy: 2.543433128261822
Energy: 1.6901914852201536
Energy: 1.6853743122533362
Energy: 2.1971512002434532
Energy: 1.685394109715988
Energy: 1.6859209067046947
Energy: 2.2196998544463473
Energy: 1.6841569100014018
Energy: 1.677583158659708
Energy: 1.6700974878949117
Energy: 1.68830597670154
Energy: 1.6860656801503617
Energy: -255.79100175451708
Energy: 2.522058952946137
Energy: 1.9788981503528937
Energy: 1.6433393841233415
Energy: 1.7303739681533186
Energy: 2.146495940330468
Energy: -256.117114622355
Energy: 2.13526707939225
Energy: 2.0717760661108797
Energy: -83.73061878947938
Energy: 2.1925425084584163
Energy: 2.1476496753474823
Energy: 2.444763508891337
Energy: 2.0846078920198616
Energy: 2.0831276586585226
Energy: -84.23877997893196
Energy: 2.0625106505737074
Energy: 2.0912214999828245
Energy: -81.51157391914109
Energy: 2.0419057543031855
Energy: 2.0048821115660442
Energy: 2.2149289656224167
Energy: 2.2437101007764984
Energy: 1.9079398298156647

minimum gb energy = -256.117114622355 eV
minimum distance =  2.0871307449093 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: -94.07750862286815
Energy: -42.887790413872025
Energy: 2.0748198032731406
Energy: 2.0584585481925792
Energy: 2.1196976133098087
Energy: 2.06401690733146
Energy: -42.21880603515728
Energy: 2.0219647065253588
Energy: 1.831457733995757
Energy: 1.932976383805543
Energy: 1.7855655485937516
Energy: 2.0650415504019928
Energy: 1.984021430212215
Energy: 1.9918085219474264
Energy: 1.8859663829901898
Energy: 1.9118574326944207
Energy: 1.885969819129833
Energy: 2.010662584201647
Energy: 2.2015356931305687
Energy: 1.8842702902433284
Energy: 1.8840483941955277
Energy: -46.98865064433906
Energy: 1.8860207720310338
Energy: -45.72710639400283
Energy: -45.10837739303195
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Energy: 2.0400593194953984
Energy: 2.0469997184269153
Energy: 1.9060886249549143
Energy: 2.0276264209700106
Energy: 1.8878619505778913
Energy: 1.7818532210650004
Energy: 2.0936655781859335
Energy: -52.270948069547465
Energy: 2.138685998490789
Energy: 1.7855472531385157
Energy: 2.0717681736004683
Energy: 2.030788342398775
Energy: 2.0072221267521235
Energy: 2.4965418916368427
Energy: 2.3740702725281304
Energy: 2.0603017163138553
Energy: 1.7857443567665505
Energy: 1.7873395514220514
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Energy: 1.926618159607256
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Energy: 2.0470772458149002
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Energy: 1.9288742073209912
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Energy: 2.190064218213435
Energy: 1.859561115632359
Energy: 1.979167143696648
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Energy: 2.027550161700572
Energy: 1.8524785297085993
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Energy: 1.8321103319824468
Energy: 1.8297464489313788
Energy: 1.9436078582661913
Energy: 1.8613767086729456
Energy: 1.9387012133424912
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Energy: 1.923780255525636
Energy: 1.8610598550810566
Energy: 1.9463494193595408
Energy: 1.9342240500068928
Energy: 1.9740345257668122
Energy: 2.3282581812674956
Energy: 1.9593613524298827
Energy: 2.0390933535179627
Energy: -45.91809109885652
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Energy: 1.8594912061784852
Energy: 2.0075734646954304
Energy: 1.9255443050944154
Energy: 1.9724337079573615
Energy: 1.819772552183398
Energy: 1.9549771747389744
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Energy: 1.8039554477405078
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Energy: 1.9202490486057533
Energy: 1.8527603859781279
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Energy: 1.9394723038866704
Energy: 1.9832182129619478
Energy: 1.9956118703181367
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Energy: 1.963231951925977
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Energy: 2.020592044167187
Energy: 1.9092057699263512
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Energy: 1.8912492138709514
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Energy: 1.949067042561204
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Energy: 1.8327697112243198
Energy: 1.993082494057509
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Energy: 1.980862229857715
Energy: 1.8463385957703862
Energy: 2.0574570049175875
Energy: 1.8585598940283687
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Energy: -50.936649042821486
Energy: 1.9308175727941908
Energy: 1.8564092601054483
Energy: 1.8959130318122113
Energy: 1.849790056778461
Energy: 1.8321540032829955
Energy: 2.053748465061068
Energy: 1.830850431686549
Energy: 1.836368788107703
Energy: 1.9487881336526995
Energy: 2.1069938987530774
Energy: 2.0070733672758
Energy: 1.9474086321489052
Energy: 2.0042142054036067
Energy: 2.0270967454803372
Energy: 1.8936187790854158
Energy: 1.8304406144653917
Energy: -44.97338488870096
Energy: -93.56496983189163
Energy: 1.8342323665387152
Energy: 1.8783714327482322
Energy: 2.064746643313547
Energy: 1.8656477090885248
Energy: 1.8326123849855798
Energy: 2.4520399021356662
Energy: 1.8468609976708323
Energy: 1.8615431707653252
Energy: 1.9768030930957403
Energy: 1.9678134115876957
Energy: 1.8839994649278422
Energy: 1.9592054689816838
Energy: 2.116682434323567
Energy: 1.8378491314264789
Energy: 2.4669511891590594
Energy: 1.861353540902396
Energy: 1.9078513925288367
Energy: 1.9386439205978148
Energy: 1.8894303969259187
Energy: -93.98292621991787
Energy: -93.19304799979129
Energy: 1.8598820898397748
Energy: 1.8632239944004514
Energy: -45.8278975771995
Energy: 1.8614138279720174
Energy: 1.8597280216598058
Energy: 1.9796628515539212
Energy: 1.9468125733252466
Energy: 2.066613435245228
Energy: 1.8809428992671378
Energy: 2.0645768175791543
Energy: 2.0368477740496944
Energy: 1.9427809955957682
Energy: 1.7812996608350244
Energy: 1.7980121970388727
Energy: 1.8002696890506733
Energy: 1.7827232184413957
Energy: -93.22060764141622

minimum gb energy = -94.4495193005581 eV
minimum distance =  0.00568756991215186 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 3.2859115970141515
Energy: -105.89499477995393
Energy: 1.892567687486883
Energy: 1.7502576976518829
Energy: 1.8944072513443062
Energy: 2.364914265073604
Energy: -104.56333049729024
Energy: 1.8342097275953237
Energy: 2.0510267909477573
Energy: 2.006374060630203
Energy: 1.7517114991259068
Energy: 1.8445114208116138
Energy: 2.3103947491509618
Energy: 1.850861431443118
Energy: 2.0168316673488667
Energy: 2.2455724486867488
Energy: 1.8472223035318602
Energy: 1.8443502312446363
Energy: 1.8839015190928887
Energy: 1.8572299063221984
Energy: 1.8532340690673754
Energy: 1.8464239536865719
Energy: 1.8468501029027542
Energy: 1.846610528281287
Energy: 1.9137137244856532
Energy: 1.8496085463530398
Energy: 1.8493679736178896
Energy: 1.9989124847419675
Energy: 1.8497002430416822
Energy: -107.32670341344107
Energy: 1.9306358292849712
Energy: 1.7122415694949793
Energy: 1.9038169446352047
Energy: -114.98396164897166
Energy: 1.844831008377763
Energy: 1.7121066860258203
Energy: 1.7537189808089675
Energy: 1.7743336847381441
Energy: -217.08204262495914
Energy: 2.1359664659970323
Energy: 1.7776097335809673
Energy: 1.7715191199334237
Energy: 1.72702382972532
Energy: 1.7163959765324661
Energy: 1.8660687455753342
Energy: 1.9281112646468959
Energy: 1.7068069568306605
Energy: 1.7429537707210156
Energy: 1.7335731560659136
Energy: 1.8636819024992317
Energy: 1.8448458460099388
Energy: 2.3183592919867606
Energy: 1.863303556602705
Energy: 1.7273737942772407
Energy: 1.753195479160816
Energy: 1.722628359170987
Energy: 1.8238892987846225
Energy: 1.8237789328269862
Energy: 1.7091192009090599
Energy: 1.7471930427030682
Energy: 1.9738491845126593
Energy: 1.7608883043760164
Energy: -106.04117030590004
Energy: 2.1942155453295995
Energy: 1.7088615224299237
Energy: 1.8399408001652213
Energy: 1.982512949129581
Energy: 1.8439437169803963
Energy: 1.8241679961660973
Energy: 2.312160572159836
Energy: 1.8457022181076639
Energy: 1.8444859749340652
Energy: 2.2176869877208674
Energy: 1.8688211689484002
Energy: 1.8438798797892528
Energy: -106.42916265605203
Energy: 1.8446581499929722
Energy: 1.8441581779489176
Energy: 2.0201683297293775
Energy: 1.8794146063137505
Energy: -107.18978092644964
Energy: 1.8688275242118997
Energy: 1.8447120297866313
Energy: 1.844521118157052
Energy: 2.3109183379014793
Energy: 1.8441395888283134
Energy: 1.7452995970393896
Energy: 1.8961025534084668
Energy: 1.7835081668263453
Energy: 1.844871400885009
Energy: 2.209582421066546
Energy: 1.7149215235744273
Energy: 1.713532467339634
Energy: 1.5700646823871574
Energy: 1.744862987671847
Energy: 2.1072596304470292
Energy: 2.068573112538479
Energy: 1.7449766035058725
Energy: 1.7167719265727268
Energy: 1.72356713466561
Energy: 1.7774391558217701
Energy: -113.07679572753628
Energy: 2.3106522448209548
Energy: 1.858728042606493
Energy: 1.7242652053137988
Energy: 1.604103361111252
Energy: 1.9380082538767136
Energy: 1.8445829619405045
Energy: 2.378096497035287
Energy: 1.7069759847690622
Energy: 1.7542444380832758
Energy: 1.7392972537536904
Energy: 1.7568633021514484
Energy: -105.10282609568526

minimum gb energy = -217.08204262495914 eV
minimum distance =  0.00569016141655261 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 2.605558944271823
Energy: -75.91393728486568
Energy: 1.7251422007415522
Energy: 1.6557098284063037
Energy: 1.8550429058457791
Energy: -158.7316581267583
Energy: -74.47575512212838
Energy: 1.786364982812478
Energy: 1.7378702608884349
Energy: 1.7662480549259363
Energy: 1.8296982237929398
Energy: 1.7798459719962514
Energy: 2.453066897299739
Energy: 1.7786794392161496
Energy: 1.857814750682131
Energy: 1.9502383879337242
Energy: 1.779255084707273
Energy: 1.8421250313551696
Energy: 2.1016173061610712
Energy: 1.8368232742066444
Energy: 1.8499284169178847
Energy: 1.9398067612937617
Energy: 1.8204142788060371
Energy: 1.9414955359904742
Energy: 2.078521968667061
Energy: 1.7817947977334738
Energy: 1.787693643300533
Energy: 1.9962850882299825
Energy: 1.7804320927519428
Energy: 1.941377154811726
Energy: 2.016965541065376
Energy: 1.979568497073775
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Energy: 1.9952713644147426
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Energy: 1.8149160223511913
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Energy: 2.4921918910349214
Energy: 1.7778319812417636
Energy: -78.5173841387092
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Energy: 1.6853121473943227
Energy: 1.8404030541430012
Energy: 2.1118785411925414
Energy: 1.7899058679995954
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Energy: 1.4822996162241115
Energy: 1.5848950618368234
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Energy: 1.5849815275514914
Energy: 1.6622789480879454
Energy: 1.568684690283837
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Energy: 1.5883828002566376
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Energy: 1.5876316936476824
Energy: 1.7893125646881793
Energy: 1.4572101121331889
Energy: 1.7001463006708413
Energy: 2.0568637502443776
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Energy: 1.5237829708437705
Energy: 1.7680761113039654
Energy: 1.7435963902333143
Energy: 1.8385247585587612
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Energy: 1.7336677977257378
Energy: 1.9496631997337226
Energy: 1.7766499762938461
Energy: 1.778932992799736
Energy: 1.9466488097941803
Energy: 1.779128652043125
Energy: 1.8320642750025018
Energy: 1.7829347570932326
Energy: 1.83060908902819
Energy: 1.943858594823619
Energy: 2.095666124937815
Energy: 1.7843773499370972
Energy: 1.831234950593318
Energy: 2.01438487290944
Energy: 1.7790505882833714
Energy: 1.8365670554854565
Energy: 2.056901618107476
Energy: 1.7815493448618847
Energy: 1.9287180117940663
Energy: -159.0630175042986
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Energy: 1.97777086135117
Energy: 2.0171534836570326
Energy: 1.7779343549781046
Energy: 1.838867777672825
Energy: 1.9444530173417176
Energy: 1.7817972587695763
Energy: 1.7779490394555924
Energy: -78.21054923001526
Energy: 1.8146258829090904
Energy: 1.8378803140681903
Energy: 2.3919041396340464
Energy: 1.7799181059660099
Energy: 1.7775257805738929
Energy: 1.681874399293747
Energy: 1.7838824582742523
Energy: 1.8388386723051477
Energy: 2.4528643559169976
Energy: 1.846009671356589
Energy: 1.6230147834341555
Energy: 1.7042231819265352
Energy: 1.587650940604254
Energy: 1.842404851770335
Energy: 2.516468807013554
Energy: -77.26566878271267
Energy: 1.657692688790464
Energy: 1.4694413498118493
Energy: 1.7083446948829482
Energy: 1.9151936643367136
Energy: 2.488329351323448
Energy: 1.5869797856279584
Energy: 1.5888599487495472
Energy: 1.5609655004888952
Energy: 1.585231406279919
Energy: -76.35486082922986
Energy: 2.8446131825993866
Energy: 1.7872606805914577
Energy: 1.6577885394399183
Energy: 1.5045474227836535
Energy: 1.7793476719597134
Energy: 1.8409923456898432
Energy: -158.5019992293077
Energy: 1.5856923952941822
Energy: 1.5952278191699378
Energy: 1.5709541966298264
Energy: 1.5852375205766678
Energy: 1.702607430623604

minimum gb energy = -159.0630175042986 eV
minimum distance =  2.08184062411041 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 2.813520314715056
Energy: -58.296398411329044
Energy: 1.6096406356403914
Energy: 1.5615237525839591
Energy: 1.728134092412424
Energy: 1.9860153729034606
Energy: -56.87065222441813
Energy: 1.845895568401911
Energy: 1.5983055697203306
Energy: 1.6075202686646841
Energy: 1.5914621714925776
Energy: 1.7291107604572837
Energy: 2.738553374080932
Energy: 1.8185173586921688
Energy: 1.6896281692035489
Energy: 1.685636397429925
Energy: 1.6472944562091403
Energy: 1.7267578975256797
Energy: -66.35331135449532
Energy: 1.647732118168925
Energy: 1.7299340264271459
Energy: 1.7513116030315665
Energy: 1.6818217315095507
Energy: 1.7098594493893753
Energy: -60.73291582542092
Energy: 1.6543359603551382
Energy: 1.6631197398624058
Energy: 2.0978651431754805
Energy: 1.6724860748266905
Energy: 1.7062338849131575
Energy: 2.4362669477907155
Energy: 1.7182393705622896
Energy: 1.8301657767469197
Energy: 1.8637487926366483
Energy: 1.8383611284787986
Energy: 1.7236513103256956
Energy: -60.41665048591306
Energy: 1.7652603666876467
Energy: 1.74400949587569
Energy: -125.01744806148375
Energy: 1.7156793405735793
Energy: 1.8530691725361885
Energy: 1.8795487065283853
Energy: 1.726208168195766
Energy: 1.8181897320766973
Energy: 2.131667895648879
Energy: 1.754092754949446
Energy: 1.823501992001295
Energy: 2.1340110132363375
Energy: 1.8284305399954044
Energy: 1.720661145890785
Energy: 1.7044312051466355
Energy: 1.7221282525681518
Energy: 1.8442628341795655
Energy: 1.7991455237999885
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Energy: 1.6553950118679968
Energy: 1.8637866014573206
Energy: 1.6443817351501766
Energy: 1.9174782031935826
Energy: -61.35412599347693
Energy: 1.6655794913893003
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Energy: 1.9775534791970508
Energy: 1.683214472092031
Energy: 1.690398356796625
Energy: 1.5586278369674338
Energy: 1.6574441676339877
Energy: 1.735715157182121
Energy: 1.803545986442161
Energy: 1.7333016608784313
Energy: 1.6085927898852066
Energy: 1.5523030452044286
Energy: 1.6058496957361021
Energy: 1.4771666210259782
Energy: 2.301518152358984
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Energy: 1.6511865648018988
Energy: 1.4040610606040527
Energy: 1.4732545826697903
Energy: 1.7703058654150492
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Energy: 1.4507626058030032
Energy: 1.479006036547474
Energy: 1.7737470600144096
Energy: 1.8059375120211392
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Energy: 1.4746451535765035
Energy: 1.4446138465281442
Energy: 1.4812840486600114
Energy: 1.6695867235052815
Energy: 1.8396062728945584
Energy: 1.6495246988765375
Energy: 1.4765352909675107
Energy: 1.4044391480001217
Energy: 1.4775285112892989
Energy: -60.30041776156657
Energy: 1.7135116838760378
Energy: 1.4793022330456909
Energy: 1.520217301154909
Energy: 1.6032894182587452
Energy: 1.597123188522565
Energy: -59.13926424631704
Energy: -66.38434033671146
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Energy: 1.6003001692018521
Energy: 1.6086588129135262
Energy: 1.7164246508377252
Energy: 1.7314215055058282
Energy: 1.7266418392408889
Energy: 1.664313349375483
Energy: 1.695943828221659
Energy: 1.7693590876566625
Energy: 1.644719926630419
Energy: -60.931225145853475
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Energy: 1.6592409680007436
Energy: 1.6855418047747452
Energy: 1.897991777309231
Energy: 1.7117430462111387
Energy: 1.9877511900071516
Energy: -124.88421683209666
Energy: 1.6757451954459908
Energy: 1.716867919523254
Energy: 2.0833496385664816
Energy: 1.8771148553897845
Energy: 1.8382916205682975
Energy: 1.7146277854453595
Energy: 1.724136435814466
Energy: 1.8459837400791337
Energy: -125.02602540125856
Energy: 1.7277507713387092
Energy: 1.7910589398466692
Energy: 2.107686129598731
Energy: 1.7589535288608047
Energy: 1.734776538755125
Energy: 2.08507932734581
Energy: 1.7905509582961197
Energy: -61.22923746702749
Energy: 1.8237754608986738
Energy: 1.7205450471021642
Energy: 1.849195142248922
Energy: 2.4442397530723126
Energy: 1.7298251176837636
Energy: 1.8233920001733646
Energy: -60.80487306296258
Energy: 1.8203016598594968
Energy: 1.7195738631623956
Energy: 2.18737300643414
Energy: 1.919033384604163
Energy: 1.827466649848556
Energy: 1.8971966383050933
Energy: 1.6646545554091492
Energy: -124.47043133398495
Energy: 2.1710288190424065
Energy: 1.652394507650771
Energy: 1.6862892731699974
Energy: 1.7056239991673214
Energy: 1.680853348850195
Energy: -123.87462361590815
Energy: 2.7659751435706044
Energy: 1.6444453077258978
Energy: 1.658013968420344
Energy: -61.709706270085576
Energy: 1.6787932790458517
Energy: 1.7215423409568567
Energy: -72.23981211040561
Energy: 1.719477601733449
Energy: 1.5915847074673355
Energy: 1.5535205976799003
Energy: 1.4766951417352927
Energy: 1.775293074920787
Energy: -124.42889126595166
Energy: -69.33071571699901
Energy: 1.6333399289789854
Energy: 1.3700026702846408
Energy: 1.535820724165369
Energy: 1.6415039587425242
Energy: -68.61269743539074
Energy: 1.4781372099712022
Energy: 1.4785496874245871
Energy: 1.4385106111770873
Energy: 1.4773399334533461
Energy: 1.6447993036698692
Energy: 2.7643201232775843
Energy: 1.7347856567045703
Energy: 1.4830242818416297
Energy: 1.4658408027516139
Energy: 1.6509689521428572
Energy: 1.7298950299558378
Energy: 2.4631317086585955
Energy: -59.46397351955476
Energy: 1.4740321935766678
Energy: 1.4642867207919668
Energy: 1.4804900341060516
Energy: -123.8394393513723

minimum gb energy = -125.02602540125856 eV
minimum distance =  0.00568843047261055 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 2.6840069161698596
Energy: -38.92437086020485
Energy: 1.469082992496952
Energy: 1.4689491129347934
Energy: 1.8247496998515018
Energy: 1.5997114110632087
Energy: -38.0258099365119
Energy: 1.6060543270091852
Energy: 1.402614896477541
Energy: 1.4246072250223543
Energy: 1.4023073140767268
Energy: 1.5787798769083412
Energy: 3.122526248829183
Energy: 1.5753748359766617
Energy: 1.4924619326769855
Energy: 1.463357655799503
Energy: 1.5058463035502119
Energy: 1.574331938404886
Energy: 2.6617983951377004
Energy: -41.140525039127766
Energy: 1.4942909604781396
Energy: 1.4326005611633568
Energy: 1.470273345755919
Energy: -49.368948009021025
Energy: 2.426679908896183
Energy: 1.488376781164197
Energy: 1.8474920742093166
Energy: 1.627053155990639
Energy: 1.5517885864689132
Energy: -41.71289069605876
Energy: 2.8743355821819723
Energy: 1.6393517335676606
Energy: 1.6011741702112547
Energy: 1.6226069156641072
Energy: 1.6111216894188987
Energy: 1.553745719254592
Energy: -39.51944302321524
Energy: 1.6536440876109633
Energy: 1.573574187756732
Energy: 1.6336201167226465
Energy: 1.5506853467608523
Energy: 1.6690358033890547
Energy: 2.026233123470376
Energy: -42.16043020496023
Energy: 1.5800286812036537
Energy: 1.6039671069576948
Energy: 1.6843263014350125
Energy: 1.5758753479518537
Energy: -41.13035116461592
Energy: 1.7024052208937128
Energy: 1.6595086638404382
Energy: 2.126587706484467
Energy: 1.6946402291384322
Energy: 1.6963981398559764
Energy: 2.23073427558054
Energy: 1.5850713805019705
Energy: 1.6067309417983529
Energy: -86.5976724383946
Energy: 1.6251987882117098
Energy: 1.603024166636517
Energy: 2.3609379210904757
Energy: 1.6598611757828343
Energy: 1.6738860710751848
Energy: 1.6670419315443676
Energy: 1.6292421480447568
Energy: -41.5329788909176
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Energy: 1.6604814690524825
Energy: 1.6234086559992944
Energy: 1.683506922536004
Energy: 1.5794329221952634
Energy: 1.683360779060449
Energy: 2.211669650300849
Energy: 1.5457281992160474
Energy: 1.7154771652746932
Energy: -85.89689416151718
Energy: 1.6275541074344133
Energy: 1.6214634363163898
Energy: 1.7936034985507607
Energy: 1.611567943988322
Energy: 1.6084993315148184
Energy: 1.6872354365074673
Energy: 1.5963272928284806
Energy: 1.6076869371943003
Energy: 1.8094210246622
Energy: 1.5521266932892963
Energy: 1.5577297052823325
Energy: 1.5920837010930917
Energy: 1.5546596638130183
Energy: 1.6135311027211061
Energy: 1.803829202181462
Energy: 1.620973361473235
Energy: 1.6600786549938853
Energy: 1.5842704258821712
Energy: 1.6510070728422583
Energy: 1.6017736584908862
Energy: 1.5607252711314106
Energy: 1.7412942365128778
Energy: 1.6630079100359014
Energy: -86.17634265773063
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Energy: 1.7068789011194432
Energy: 1.5752891321430285
Energy: 1.4703546005806565
Energy: 1.464860298528294
Energy: 1.6212785131128358
Energy: 1.4625041407470174
Energy: 1.4829023468217988
Energy: 1.4294317039375177
Energy: 1.51416565203281
Energy: 1.6354951913859457
Energy: 1.628370525088554
Energy: 1.6753065885151708
Energy: 1.4240625130654556
Energy: 1.4086310782728209
Energy: 1.5152342419952718
Energy: -85.14621010044618
Energy: -85.07688904304229
Energy: 1.331233577696557
Energy: 1.4085330692064586
Energy: 1.267944561930545
Energy: 1.3401682808784856
Energy: 1.4922600697832045
Energy: 1.6426533171544666
Energy: 1.3328444822134755
Energy: 1.3785210531532552
Energy: 1.2915261455942637
Energy: 1.329295418728107
Energy: 1.591408281135467
Energy: 1.673809635660824
Energy: 1.4314112111092676
Energy: 1.3319796619037019
Energy: 1.2910999181712979
Energy: 1.3287643202202115
Energy: 1.4696393196070343
Energy: -37.939588093909684
Energy: 1.4347629251876384
Energy: 1.3244059627219547
Energy: 1.2670009121381867
Energy: 1.3253856321015531
Energy: 1.6436166359237716
Energy: -85.80120505555723
Energy: 1.3282029032341558
Energy: 1.2716971168438251
Energy: 1.408422578793129
Energy: 1.406343276323469
Energy: 1.464418945946195
Energy: 1.6566254838110541
Energy: 1.3229825358447884
Energy: 1.4797733493956193
Energy: 1.430769695614477
Energy: 1.490064394440519
Energy: 1.5345572012371773
Energy: 1.619593155245054
Energy: 1.5904829492114223
Energy: 1.4925557625703705
Energy: 1.5319133657771493
Energy: 1.4881950732119609
Energy: -40.11364386624846
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Energy: 1.52480121882528
Energy: 1.4873264728122333
Energy: 1.788078844941424
Energy: 1.6372049765003485
Energy: 1.6152198866590568
Energy: 1.5925763348963895
Energy: 1.6007280255154612
Energy: 1.667025458323446
Energy: 1.7654593962585656
Energy: 1.6061460171519497
Energy: 1.5688513043117311
Energy: 2.1878918366537414
Energy: 1.626280503010181
Energy: 1.5987486009582383
Energy: 2.1027549214658645
Energy: 1.5786544417707915
Energy: 1.5996083347637466
Energy: -40.74464368832771
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Energy: 1.6378579241408013
Energy: 1.7733860730038729
Energy: 1.5791189548585962
Energy: 1.7129663532697548
Energy: 1.6805793401008537
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Energy: 1.6027870100214974
Energy: 2.199073693456742
Energy: 1.6415368247496358
Energy: 1.6424811087209459
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Energy: 2.1394499285082818
Energy: -86.78024204777732
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Energy: 1.6082886253084046
Energy: 1.7516239085787642
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Energy: 1.7332238863643168
Energy: -86.48651010944613
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Energy: 1.6568056645471618
Energy: 1.6783038090299238
Energy: 1.6509975436307311
Energy: 1.6914403966161136
Energy: 2.197720939230271
Energy: 1.5977611442402146
Energy: 1.6609303774854989
Energy: 1.6759002023917293
Energy: 1.61006359206639
Energy: 1.6412095108671252
Energy: -86.48458726063029
Energy: 1.6248447380142674
Energy: 1.6837178134832165
Energy: 1.7797478563180638
Energy: 1.6458101476984304
Energy: 1.6015633334520163
Energy: 2.6230746652765076
Energy: 1.7731225946979603
Energy: 1.6050551581255919
Energy: 1.5988919776539512
Energy: 1.6148657340825814
Energy: 1.738034963452158
Energy: 2.6776427784275767
Energy: 1.554785181529988
Energy: 1.6083986921321567
Energy: 1.5687470253925524
Energy: 1.5583594838197377
Energy: 1.549104511604908
Energy: 2.881294638125474
Energy: 1.6666214148188656
Energy: 1.5985747461477489
Energy: 1.7828447122058828
Energy: 1.607759834029952
Energy: 1.5535297888068096
Energy: -86.19715399646462
Energy: 1.4668490489513482
Energy: 1.6116244682722718
Energy: 1.6230625773448066
Energy: 1.6353753388173238
Energy: 1.69075550474653
Energy: -42.533953312513496
Energy: 1.54465993460954
Energy: 1.467786775216989
Energy: 1.4673110614437892
Energy: 1.462758819671076
Energy: -85.09691682483906
Energy: 3.127965202054181
Energy: 1.5630477708684318
Energy: 1.475606919292831
Energy: 1.4230367628730227
Energy: 1.4695104893793984
Energy: 1.648537669937776
Energy: -43.31625548275785
Energy: 1.3223492669906916
Energy: 1.4017403113328974
Energy: 1.4086615264719622
Energy: 1.4023890182446803
Energy: -84.68999591492944
Energy: 2.729622319339182
Energy: -41.74510142092984
Energy: 1.3385550616695776
Energy: 1.2701951242931906
Energy: 1.377453982153547
Energy: 1.6311999683138185
Energy: -38.27700881210318
Energy: 1.4686877905407556
Energy: 1.3306525533751492
Energy: 1.290665490116966
Energy: 1.3296460438951494
Energy: 1.563680703086403
Energy: 3.1126779281875
Energy: 1.579124187110198
Energy: 1.3355589310528864
Energy: 1.2926906325259282
Energy: 1.331219044591875
Energy: 1.5630177560256635
Energy: -85.79833764991965
Energy: -39.099079643428006
Energy: 1.327275841699187
Energy: 1.2704329085482753
Energy: 1.3256737549684017
Energy: 1.5773211525000879

minimum gb energy = -86.78024204777732 eV
minimum distance =  2.23620316037654 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.44695117466161044
Energy: -294.8445095949223
Energy: 0.8091171466544554
Energy: 0.6280267643961868
Energy: 0.8089172571209763
Energy: 0.43892116985806234
Energy: -294.24930105294015
Energy: 0.6288519025696688
Energy: 0.6394685431046063
Energy: 0.636476310535289
Energy: 0.6361214103187169
Energy: -295.7647926446997
Energy: -294.6349636400137
Energy: 0.6285407563675581
Energy: 0.6282882603184394
Energy: 0.6496085066678977
Energy: 0.6289917572903249
Energy: 0.6284549788398212
Energy: 0.4360180570260488
Energy: -96.81722621097333
Energy: 0.628310578586494
Energy: 0.628024474451721
Energy: 0.6288826295836978
Energy: 0.4364345888634882
Energy: 0.43639223119424864
Energy: -295.79446049133054
Energy: 0.6288030336320417
Energy: 0.6278986239510721
Energy: 0.6292683543535948
Energy: 0.43662947830461885
Energy: -294.9664428212222
Energy: 0.6283827546498995
Energy: 0.6285780086357095
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Energy: 0.6285398182716668
Energy: 0.6282253326211079
Energy: 0.4371918668735918
Energy: 0.6286883895453046
Energy: 0.6287471749697138
Energy: 0.6496768814274647
Energy: 0.6286128587793279
Energy: -294.9596345230788

minimum gb energy = -295.79446049133054 eV
minimum distance =  0.00568828960013023 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

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Energy: 1.7021996618320545
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Energy: 1.6905210240021735
Energy: 1.7044064335866804
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Energy: 1.6804943283442975
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Energy: 1.6580081507105406
Energy: -78.62720980968668
Energy: -35.827443460089476
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Energy: 1.592682966401051
Energy: 1.551404261595613
Energy: 1.7073819947275999
Energy: 1.6805228493969455
Energy: 2.8793912095806626
Energy: 1.5805364778481474
Energy: 1.5770778203008253
Energy: 1.7338674808809555
Energy: 1.5759957070707666
Energy: 1.669379184735476
Energy: -37.427615402768346
Energy: -36.78739008926989
Energy: 1.5446268134218522
Energy: 1.5497830006814757
Energy: 1.611217801201954
Energy: -77.55003188545666
Energy: 2.9620275317322085
Energy: 1.602283567118754
Energy: 1.456843945520281
Energy: 1.4246312073750664
Energy: 1.549954943349516
Energy: -39.149447202249235
Energy: 2.8641235954866624
Energy: 1.5337890329429091
Energy: 1.4109952864063853
Energy: 1.3832800210324199
Energy: 1.403284061902331
Energy: 1.5790509902127026
Energy: -42.789626264878066
Energy: 1.4019060835011312
Energy: 1.4248508115887313
Energy: 1.4141676900211402
Energy: 1.4234051008066944
Energy: -35.11573630131454

minimum gb energy = -79.08430080273591 eV
minimum distance =  0.00569371866568215 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 3.3639022802354046
Energy: -22.369876381681507
Energy: 1.864918537655779
Energy: 1.7219905577727734
Energy: 1.8654667610677305
Energy: 1.962882909572187
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Energy: 1.8100055174249547
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Energy: 1.812986432468638
Energy: 1.887566596224552
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Energy: 1.8057013015397476
Energy: 1.7817785086464384
Energy: 1.8085040254361089
Energy: 1.8859225457349484
Energy: 2.544912051040755
Energy: -24.342415063949513
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Energy: 1.6473644495385413
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Energy: 1.9729103208412309
Energy: 2.627824894029522
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Energy: 1.5693815620581977
Energy: 1.5789102425195989
Energy: 1.5849170103780859
Energy: 1.8366606376830068
Energy: -21.356640637936444
Energy: 1.6651799676938361
Energy: 1.5810465223139212
Energy: 1.5940071731008187
Energy: 1.5973215092482913
Energy: 1.8142489041919014
Energy: 3.033612681315927
Energy: -22.432151587342407
Energy: 1.5531738669990185
Energy: 1.419800436645784
Energy: 1.5535354706920186
Energy: 1.9969527049790472

minimum gb energy = -108.13892641260962 eV
minimum distance =  2.26479754030716 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 2.959097609669382
Energy: -63.44945675013528
Energy: 1.7895960076454673
Energy: 1.7916524135675325
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Energy: 1.6664269115896264
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Energy: 1.9564145796463066
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Energy: 2.037182833711993
Energy: 1.9397111584498015
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Energy: 1.9708977218267993
Energy: -133.8751690105333
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Energy: 1.9857045194887417
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Energy: 2.014415551212158
Energy: 2.026769699372252
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Energy: 1.9465770210359479
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Energy: 1.9533042067615467
Energy: 1.9862931723672625
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Energy: 1.936318608937894
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Energy: 1.9663675017125697
Energy: -64.83136776719404
Energy: -66.69541345042443
Energy: -65.88245721815038
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Energy: 1.762033054913625
Energy: 1.9418792031266214
Energy: 2.030901722897862
Energy: 2.4184891924820002
Energy: 1.952432449303121
Energy: 1.6648109766809973
Energy: 1.6583567143987539
Energy: 1.6871897027933842
Energy: 1.9555884746007246
Energy: -63.20663712841796
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Energy: 1.6830494755795997
Energy: 1.7103347424098239
Energy: 1.6954558048173083
Energy: 1.967789786626883
Energy: 2.9259783751781128
Energy: -63.509708584983144
Energy: 1.6560172954326975
Energy: 1.6557992721253298
Energy: 1.6584621943253333
Energy: -85.05835170264453

minimum gb energy = -133.8751690105333 eV
minimum distance =  0.00558392361134067 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 2.528203888320733
Energy: -83.9722100797944
Energy: 1.934558388558855
Energy: 2.038045438911308
Energy: 2.239624402868089
Energy: 2.1778447774428673
Energy: -81.91865472175843
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Energy: 1.5814646667251537
Energy: 1.6052736515121202
Energy: 2.114576031056988
Energy: 2.418979534566621
Energy: 1.851663660727372
Energy: 1.58085448226124
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Energy: 3.013701747456426
Energy: 1.8108482087980722
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Energy: 2.1729053621886685
Energy: 2.996662847154426
Energy: 1.8288042293661835
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Energy: 2.0092091046068745
Energy: 1.8324979298090587
Energy: 1.8366811820468056
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Energy: 2.420246078704063
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Energy: 1.8927912858592975
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Energy: 1.5908609795774604
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Energy: 2.1115344638370948
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Energy: 1.9432175014795232
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Energy: 1.8505353584221738
Energy: -173.12519797745767
Energy: 1.8704062934828918
Energy: 1.8205138739549254
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Energy: 2.1137618881962346
Energy: 1.9091110134395881
Energy: 1.8333032048732487
Energy: 1.820016981278796
Energy: 2.0287830139357546
Energy: 2.0095539732189374
Energy: 2.1296868929434276
Energy: -174.96991949756304
Energy: 2.1285530086050186
Energy: 1.921093080392799
Energy: -84.87006295114554
Energy: 2.1053837653034226
Energy: 2.13139675749367
Energy: -115.97072408635263
Energy: 2.1543037899059443
Energy: 2.0956158807266996
Energy: 2.4733141722056438
Energy: 2.1160893372586127
Energy: 1.9343883106924928
Energy: 2.021258038210312
Energy: 2.123059256842265
Energy: 2.047010904173054
Energy: 2.418775904939596
Energy: 2.1223977323138685
Energy: 1.8609560244983976
Energy: 1.8202105602567642
Energy: 1.8236324093584264
Energy: 2.1720641858272156
Energy: 2.4302982006375533
Energy: 2.0631839608840674
Energy: 1.8375726813462623
Energy: 1.8378352890129703
Energy: 1.9203059343315942
Energy: 2.1202045616015104
Energy: -103.71716128558396
Energy: -84.04416456502234
Energy: 1.8117471600372734
Energy: 1.8103456127826945
Energy: 1.8125100140803587
Energy: 2.2687455947868673

minimum gb energy = -174.96991949756304 eV
minimum distance =  2.27183133418856 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 3.1839317176943633
Energy: -121.28376350371303
Energy: 2.504037754155134
Energy: 1.7263136699384674
Energy: 2.436798674687587
Energy: 2.2417750741452567
Energy: -119.64974071849858
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Energy: 2.0156349021544417
Energy: 2.0126518408585308
Energy: 1.7540667351356125
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Energy: 1.666236092152569
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Energy: 2.0293984452461373
Energy: 1.6875681672773284
Energy: 1.6795215902526663
Energy: 2.1001722909058493
Energy: -247.7330198453914
Energy: 2.400705352945473
Energy: 2.0934706065525632
Energy: 2.0012850533435786
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Energy: -160.50466297995672
Energy: 1.7755446010430402
Energy: 2.486676170177376
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Energy: 1.709182214610306
Energy: 2.0472439194657914
Energy: 2.0139068061064322
Energy: 1.7086321205352129
Energy: 2.350420222555506
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Energy: 2.4073191115822246
Energy: 2.000942531628607
Energy: 1.9996857504500762
Energy: 1.7134113535001383
Energy: 2.0148972851425118
Energy: 2.0025075028278754
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Energy: 2.001740973681129
Energy: 2.2402361885156594
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Energy: 2.0127527744743148
Energy: 2.0005491636670185
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Energy: 2.0121579678776764
Energy: 1.679638581666746
Energy: 1.66655085675727
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Energy: 2.547701361896287
Energy: 1.7247053674004649
Energy: 1.6601612040356244
Energy: 1.6664800603006686
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Energy: 1.6788015536548693
Energy: 2.068978454051443
Energy: 2.0180552636051043
Energy: 2.1367669531004294
Energy: 1.6784265937178264
Energy: 1.713383774350573
Energy: 1.9995048750651647
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Energy: 2.031151675903811
Energy: 2.001940051786859
Energy: 1.659156048058393
Energy: 1.99501159821691
Energy: 2.2030212332628514
Energy: 1.7940601669456506
Energy: 2.0081814664439817
Energy: 1.659049855878845
Energy: -122.87627632765631
Energy: 2.341133437741089
Energy: 2.0004956685244952
Energy: 2.00826883972095
Energy: 2.125650895050786
Energy: 2.034845042253579
Energy: 1.720684982068576
Energy: 2.09238808150748
Energy: 1.9956090767827395
Energy: 1.9952411436018465
Energy: 2.0147753402242743
Energy: 2.1145508204092307
Energy: 3.121256004355465
Energy: -121.66564477305107
Energy: 2.0021014660613057
Energy: 1.7163405191882004
Energy: 1.9990028044194939
Energy: 2.363807807167769

minimum gb energy = -247.7330198453914 eV
minimum distance =  2.17136055231064 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: -94.00253052256244
Energy: -42.859644821163734
Energy: 2.154481757511992
Energy: 1.94529257023454
Energy: 2.4117251204008854
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Energy: 2.2653416204328747
Energy: 2.1686927112462455
Energy: 2.3147510282768926
Energy: -45.597377804513904
Energy: -44.8892612384851
Energy: 2.2913995095821504
Energy: 2.0103947903255546
Energy: 2.127197645448256
Energy: 1.9944310910037935
Energy: 2.287218288027085
Energy: 2.572146686178068
Energy: 2.6142133594423274
Energy: 1.9910299478203484
Energy: 1.9908715737476494
Energy: 1.9926609135727285
Energy: 2.318041937203439
Energy: 2.3849729380659572
Energy: 2.144362818527635
Energy: 2.0104421467140585
Energy: 2.006741118349305
Energy: 1.9830601572508415
Energy: -93.36062425579054

minimum gb energy = -94.55813051580898 eV
minimum distance =  0.00568974672600723 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 2.8657920482371178
Energy: -73.8056175544195
Energy: 2.0544073250767214
Energy: 2.0072789082690643
Energy: 2.488796442701191
Energy: -155.19409061037675
Energy: -73.06378727742509
Energy: 1.7541210832142364
Energy: 1.8213593518508997
Energy: 1.7688163617617878
Energy: 1.7527713302498307
Energy: 2.5287030478189085
Energy: 1.8603307998391168
Energy: 2.0922812739811683
Energy: 1.759908715591165
Energy: 1.738177077506188
Energy: 1.8720447308936925
Energy: 2.4177444573883458
Energy: 2.3672900431214465
Energy: 2.5300817628200596
Energy: 1.7493677953982119
Energy: 1.898660498000979
Energy: 2.046093293845069
Energy: -75.95355055119906
Energy: -154.90603564609054
Energy: 2.3910215973918696
Energy: 2.479090970059627
Energy: 2.3407505694151443
Energy: 2.439302032773411
Energy: 2.443381433887992
Energy: 1.7802755224884934
Energy: 1.7635867441040574
Energy: 2.30311716322909
Energy: 2.3030230083291965
Energy: 2.4701650769488275
Energy: 1.7507633169976533
Energy: 1.790979328374948
Energy: 1.8575635550216028
Energy: 2.428329189254086
Energy: 2.3546037092144747
Energy: 2.209646561886604
Energy: 1.8257202035075966
Energy: 1.7709213502439594
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Energy: 2.5872145963575326
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Energy: 2.0224550609094947
Energy: 2.3034518810334577
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Energy: 2.556609215921501
Energy: 1.7744989450672721
Energy: 1.8017850926930412
Energy: 1.8059570396793934
Energy: 2.413019223687336
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Energy: 1.8118808530403396
Energy: 1.7734025664243507
Energy: 1.769510480664895
Energy: 2.5503170930123122
Energy: 1.9647912414808508
Energy: 1.759195418972238
Energy: 1.7590447917407561
Energy: 1.7955552780336919
Energy: 1.8050951909167658
Energy: 2.52341304054745
Energy: 2.4250995209951003
Energy: 2.243660179312107
Energy: 1.8059620742881932
Energy: 2.332611604788943
Energy: 2.086090154314232
Energy: 2.3896353478021486
Energy: 2.4260595721961447
Energy: 2.2746343910504523
Energy: 2.115532917261445
Energy: 1.8729854278038551
Energy: 2.09711489292056
Energy: 2.255374454189637
Energy: 1.8846009652093385
Energy: 2.231619830477991
Energy: -76.41772139160284
Energy: 2.330262432272347
Energy: 2.097586173599427
Energy: 2.0927269444628975
Energy: 2.1328235758182172
Energy: 2.195516611527402
Energy: 2.1075790921766755
Energy: 1.914880321566262
Energy: 2.270087497578745
Energy: 2.080825096603207
Energy: 2.0738150994423927
Energy: 2.173092935870631
Energy: 2.228232238618594
Energy: 2.8546636243978227
Energy: -73.87503314707035
Energy: 2.282143023967318
Energy: 1.88455216798782
Energy: 2.2839810426670573
Energy: -155.28216910670136

minimum gb energy = -155.28216910670136 eV
minimum distance =  0.00568797510241472 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 2.5405249204898133
Energy: -51.92657241551184
Energy: 1.7115019101034419
Energy: 1.7383282401987346
Energy: 2.6490466520262266
Energy: 2.6479069760989393
Energy: -51.45756342049029
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Energy: 1.8047908513897484
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Energy: 2.2213308623003996
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Energy: 1.813562630750884
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Energy: 2.408628178304105
Energy: 1.8068432751497092
Energy: 1.7840468539310386
Energy: 2.3742762703507125
Energy: 2.407240413801233
Energy: -61.41767715698991
Energy: 2.517089134194632
Energy: 2.573134048318397
Energy: 1.8750880903286387
Energy: 2.5283986192918477
Energy: 2.3426401318432273
Energy: 1.684986614213669
Energy: 1.7064469586184066
Energy: 2.584744565962241
Energy: 2.276129061368388
Energy: 2.6975546059176967
Energy: 1.6799193462896183
Energy: 1.7053800812709021
Energy: 1.7046424966348614
Energy: 2.483029420882676
Energy: 2.071830849535982
Energy: 1.7047101571959316
Energy: 1.679034296624547
Energy: 1.70507419607271
Energy: 1.6788910510540174
Energy: 2.4878497769361543
Energy: 2.221169618394791
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Energy: 1.6780976960502891
Energy: 1.6899052237864456
Energy: 2.131003513330964
Energy: -111.78919659242342
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Energy: 2.629465176674288
Energy: 1.737809516112128
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Energy: 2.4117569569164194
Energy: 2.594685924913764
Energy: 2.402000619502136
Energy: 1.8069704924404197
Energy: 1.7970210537225104
Energy: 1.985571325894139
Energy: 2.276356610153985
Energy: 2.181381381663909
Energy: 2.5199704320360174
Energy: 1.7773843646877587
Energy: 1.80265461698693
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Energy: 2.1810989644836702
Energy: 1.7755891537423014
Energy: 1.7785755298663428
Energy: 1.7842773283847722
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Energy: 2.5578977161322514
Energy: 2.4703304793302903
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Energy: 1.7782027310644544
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Energy: 2.0557716859698596
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Energy: 2.091110054674675
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Energy: 1.8322510667506613
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Energy: 2.5862900242897755
Energy: 2.5114061866550084
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Energy: -54.318556558979104
Energy: 2.5960764156981297
Energy: -53.49448671416436
Energy: 1.6808606147946026
Energy: 1.710164962654772
Energy: 1.7064665929020053
Energy: 2.5677547038346353
Energy: 2.0689382114387813
Energy: 1.967423812623391
Energy: 1.704871783781298
Energy: 1.7229801833940808
Energy: 1.7053372050185034
Energy: 2.531325876045091
Energy: 2.0920202208740935
Energy: 2.1083410913285716
Energy: 1.6786934994699227
Energy: 1.7380585952993237
Energy: 1.731902429697854
Energy: 2.564045001627704
Energy: 2.4685679615624707
Energy: 2.6721305055941857
Energy: 1.705556329953573
Energy: 1.7065551858570336
Energy: 2.370963073968426
Energy: 2.4663017827175406
Energy: -82.42904890767016
Energy: 2.4693576079695974
Energy: 2.2462210951071166
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Energy: 2.4369643408957025
Energy: 2.504132893107358
Energy: 1.7781725009707465
Energy: 1.8086118703010468
Energy: -54.29824825626716
Energy: 2.276494209003699
Energy: 2.403978042234385
Energy: 1.8071313587848272
Energy: 1.8028727137628138
Energy: 1.803727621571205
Energy: 2.578950795744257
Energy: 2.1296321143505037
Energy: 2.6684638111552657
Energy: 1.7775256748175712
Energy: 1.7853523946692738
Energy: 1.7783948120006579
Energy: 2.081003693287209
Energy: 2.1799515238416127
Energy: 1.7751479339235379
Energy: 1.7785656611416516
Energy: 1.7769380525495306
Energy: 1.8012605351578357
Energy: 2.666683909348321
Energy: 2.4680574315617734
Energy: 2.1603309107202966
Energy: 1.7957035126635332
Energy: -55.00642054421597
Energy: 2.0829247224734027
Energy: 2.119894248910782
Energy: 2.1993511330288222
Energy: 2.086491852989477
Energy: 2.0556520702447867
Energy: 1.8751248457972307
Energy: 2.0550785039750794
Energy: 2.079117549372042
Energy: 2.166227620459044
Energy: 2.503113038674909
Energy: 2.0550226168535604
Energy: 2.1886453193344195
Energy: 2.0831101930638662
Energy: 2.08331448880781
Energy: 2.0835150439130996
Energy: 2.083281009121763
Energy: 2.08408558476677
Energy: -51.544072967594836
Energy: 2.083433240687428
Energy: 2.0830746094054216
Energy: 2.08330399341026
Energy: 2.0838694865674583
Energy: 2.6229375910191983

minimum gb energy = -111.78919659242342 eV
minimum distance =  2.3506294384744 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.608888439742406
Energy: -206.26470974981268
Energy: 2.7678690915944917
Energy: 2.2629245098299995
Energy: 2.781895848728225
Energy: 1.6090732348230574
Energy: -205.95546233569144
Energy: 2.214372908573745
Energy: 1.6111326889704445
Energy: 1.6109400234298707
Energy: 1.6108562598761722
Energy: 1.6110982508982883
Energy: 1.9089153168063635
Energy: 2.327038578848143
Energy: 1.6109716694609424
Energy: 1.61075366323914
Energy: 1.6112248403555378
Energy: 2.326587908391112
Energy: -208.49556131302805
Energy: 1.9084286873393537
Energy: 2.2072728500612637
Energy: 1.6109041879112116
Energy: 2.326615384143989
Energy: 1.909017329307992
Energy: 1.908768322021266
Energy: 1.9084488379542557
Energy: 1.9084666288164422
Energy: 1.60958993197697
Energy: 1.9084953877054502
Energy: 1.9093817054124576
Energy: 1.6112938088580455
Energy: 2.2125122451772508
Energy: 1.6091469038571373
Energy: 1.608931169971094
Energy: 1.6111896440324815
Energy: 2.2076568153016156
Energy: 1.6107396822784597
Energy: 1.611127961384806
Energy: 1.9082535101687013
Energy: -206.82751062336737
Energy: 2.2141020633520787
Energy: 1.6107991438669025
Energy: 1.6106275492040174
Energy: 1.6108785148028666
Energy: 2.326920730053751
Energy: 1.9086088828244832
Energy: 1.9085441205911544
Energy: 1.6109520226591723
Energy: 1.6119509018888118
Energy: 2.216536022859807
Energy: 1.9090968061761056
Energy: -208.13304157395487
Energy: 2.325695506572688
Energy: 2.207630788628679
Energy: 1.6091710480815757
Energy: 1.9561797160056973
Energy: 1.9090093208580274
Energy: 2.0224129742330885
Energy: 1.9096804921175476
Energy: -66.35585773249996

minimum gb energy = -208.49556131302805 eV
minimum distance =  0.0125130174211047 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 3.4696264335789033
Energy: -26.070701932136664
Energy: 2.279951451687188
Energy: 2.2814288454611664
Energy: 2.688568893815433
Energy: 2.8697575496560916
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Energy: 1.7703922061607817
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Energy: 2.7131024640943284
Energy: 2.591410269342337
Energy: 2.1895818192530467
Energy: 1.7990348150590696
Energy: 1.728915089004947
Energy: 2.748048844958079
Energy: -123.966518560474
Energy: 2.281751872666145
Energy: 1.7692524646862544
Energy: 1.7280426266928488
Energy: 1.7968660594920376
Energy: 1.7686365835940678
Energy: 2.3742510969629986
Energy: 1.770698565802166
Energy: 1.769458614296536
Energy: 1.7297503252709403
Energy: 1.798755491844913
Energy: 2.6202214776619632
Energy: 2.4522792268601066
Energy: 1.7675362745001058
Energy: 1.7585628697059459
Energy: 1.773857805801527
Energy: 1.741650991341539
Energy: 2.5170674940525752
Energy: -61.577787425797844
Energy: 2.386392716783295
Energy: 1.7582723676922964
Energy: -122.57858184598572
Energy: 2.4597367630961324
Energy: 2.445901164502361
Energy: 2.4590265363139876
Energy: 2.4942233579648905
Energy: 2.3525097899467844

minimum gb energy = -123.966518560474 eV
minimum distance =  2.41048186233504 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 2.8515621985924366
Energy: -39.94574261657154
Energy: 2.194099573422231
Energy: 2.244294102695183
Energy: 2.179538780185698
Energy: 2.53434281466235
Energy: -40.04694517673636
Energy: 2.2143013407133143
Energy: 2.1111813548671905
Energy: 2.132738110888853
Energy: 2.237158113339342
Energy: 2.164667392667059
Energy: 2.0527854812942183
Energy: 1.9401281598975322
Energy: 2.1185600670061095
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Energy: 2.018084547428284
Energy: 2.077404216451024
Energy: 2.0810875568681353
Energy: 2.049483236919837
Energy: 2.110040575872148
Energy: 1.9405939004517148
Energy: 2.0764268470904597
Energy: 2.0747045497230663
Energy: 2.09999763405652
Energy: 2.016360926199135
Energy: -131.37411622094228
Energy: 2.1893026616428917
Energy: 2.0522272371999986
Energy: 2.2087501825885654
Energy: 2.7970253536424634
Energy: 2.3947124660636914
Energy: 2.4538008850743394
Energy: 2.725445112105512
Energy: 2.0919648045477306
Energy: 2.536916761320648
Energy: 2.8668173967933623
Energy: 2.7423030086417866
Energy: 2.1679541861578184
Energy: 2.509324439198795
Energy: -41.28580091749374
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Energy: 2.509800859697794
Energy: 1.8500227112334489
Energy: 1.8828959791424613
Energy: 1.8827326914082732
Energy: 2.540676293797645
Energy: 2.3808075418836414
Energy: 1.8990493645385753
Energy: 1.8426660882836075
Energy: 1.8443627807091543
Energy: 1.8980909794506853
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Energy: 1.9012850606064056
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Energy: 2.5773124267890615
Energy: 1.7127711104786068
Energy: 2.4708536519719586
Energy: 2.564796513020622
Energy: 1.6763853404047793
Energy: -177.95843710570196
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Energy: 2.5514152942021813
Energy: 2.090722994267234
Energy: 2.097810804862821
Energy: 2.1900863024208355
Energy: -148.02861889101354
Energy: 2.109503966081668
Energy: 1.7342237963348686
Energy: -42.61690438689075
Energy: 2.0935929942858174
Energy: 2.111797694941013
Energy: 2.137064628718271
Energy: 2.1152927629080303
Energy: 1.7110539855343787
Energy: 2.1272484420971733
Energy: 2.0529206682295262
Energy: 2.1828833359908386
Energy: 2.1863112218156147
Energy: 2.221846570644925
Energy: 1.7151028867765254
Energy: 2.1432037414425524
Energy: 2.1629063589046296
Energy: 2.1641626969743117
Energy: 2.166118060116374
Energy: 2.1436784222666767
Energy: 2.0480060941329867
Energy: 2.926492027158548
Energy: 2.4624140750066186
Energy: 2.1825192394635127
Energy: 2.170906843306269
Energy: 2.1096917185680892
Energy: 2.333828777654038
Energy: 2.9325862484164005
Energy: 2.377012418466151
Energy: 2.478066803430233
Energy: 2.4460850370447615
Energy: 2.3702129863464707
Energy: -131.24181877571874
Energy: 1.9051522460469663
Energy: 1.8108659021847693
Energy: 2.568031278544463
Energy: 2.5810030735841574
Energy: 2.8286840583274677
Energy: 1.8214453189522035
Energy: 1.7934655451329937
Energy: 1.7529780198427927
Energy: 2.471009419976839
Energy: -41.4932117074644
Energy: 2.1760840770818577
Energy: 1.790666411396675
Energy: 1.78877682007572
Energy: 1.7952526509060425
Energy: 1.7928634308165605
Energy: 2.407365829593537
Energy: 1.7959876013897658
Energy: 1.7907410135188269
Energy: 1.822567649924009
Energy: 1.8035742291033197
Energy: 2.252312539022388
Energy: -92.26054551014725
Energy: 2.0473018760720816
Energy: 1.7946297925994894
Energy: 2.1688987444163446
Energy: 2.796404621133762
Energy: 2.690425881200371
Energy: 2.809458123224585
Energy: 2.263667795115042
Energy: 2.8248443639531726

minimum gb energy = -177.95843710570196 eV
minimum distance =  2.28465832314274 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 3.4584720276723973
Energy: -51.407611948013
Energy: 2.3051897716898586
Energy: 2.205478902326717
Energy: 2.5790782679463975
Energy: 2.904426829247894
Energy: -51.57107084243631
Energy: 2.3953559378817926
Energy: 2.137031288310519
Energy: 2.182104100304862
Energy: 2.1892707380967216
Energy: 2.261051933091654
Energy: 1.8266817867993785
Energy: 2.016186773681847
Energy: 2.1662374623094713
Energy: 1.99437779711301
Energy: 2.147841494590925
Energy: 1.8872384930670156
Energy: 1.829961085541815
Energy: 1.8400702348940357
Energy: 2.1658652602601283
Energy: 2.143748598034878
Energy: 2.144892855297746
Energy: 1.8307566690767805
Energy: 1.8310797769714728
Energy: 1.93921394636774
Energy: 2.3073591829481623
Energy: -110.86210562071147
Energy: 1.937405150361463
Energy: 1.8805532709879489
Energy: 2.153030255179523
Energy: 2.095705867530121
Energy: -69.94641720589667
Energy: 2.197905971682381
Energy: 2.675470207904399
Energy: 2.0047972092943946
Energy: -111.83397622440172
Energy: 1.827646738527435
Energy: 2.6910737649971317
Energy: 2.513032463729554
Energy: 2.6816509131328945
Energy: 1.989498119399991
Energy: -111.35235794757128
Energy: -53.459790902748885
Energy: 1.852684747230707
Energy: 1.847565598676463
Energy: 1.8500957946051704
Energy: 1.9920864720261646
Energy: 2.148577303901475
Energy: 1.8812614755124064
Energy: 1.9297893847395775
Energy: 1.8523939550779616
Energy: 1.9301056166481738
Energy: 2.220429574895253
Energy: 2.1964048218671457
Energy: 2.1398033818096036
Energy: 1.9498675106924612
Energy: 1.8251140308661482
Energy: 1.9792970966447332
Energy: 2.1435983577042688
Energy: 2.200285313841512
Energy: 2.4989285523867104
Energy: 2.0227007626221924
Energy: 1.8514925190259166
Energy: 2.076975127996892
Energy: 2.200449835682165
Energy: 2.1597682422212827
Energy: 2.143025073173752
Energy: -109.5951987542953
Energy: -111.34895497485363
Energy: 2.047201907678194
Energy: 2.1626313527050542
Energy: 2.4481697538885805
Energy: 2.437979557988365
Energy: -71.03917553841012
Energy: -111.34912337276785
Energy: 2.2625422458529805
Energy: 2.4095419424766775
Energy: 2.384360144211037
Energy: 2.482264804365867
Energy: 1.7741354709139026
Energy: 1.7248252688705215
Energy: 2.8348874842785796
Energy: 2.347952640130071
Energy: 2.347536627168816
Energy: 1.8898277770190155
Energy: 1.7086331690687782
Energy: 1.6962665041815954
Energy: 1.7068760182236953
Energy: 2.3922695992103096
Energy: 2.3182466671046584
Energy: 1.7087835024159066
Energy: 1.6836497109422803
Energy: 1.6813791810986174
Energy: 1.684612238094321
Energy: 2.3086325956349216
Energy: 2.1966726090019173
Energy: 1.9556466515466233
Energy: 1.6974412874004043
Energy: 1.685136076410924
Energy: 1.9878010615439294
Energy: 2.182129754618812
Energy: -54.49549001829703
Energy: 2.5528580313527094
Energy: 2.663662150987991
Energy: -52.60975071182807
Energy: 2.662760029101897
Energy: 2.1805889840511608
Energy: 2.396270196145322
Energy: 2.476006917747757
Energy: -110.61652458548465
Energy: 1.9924517830235493
Energy: 2.559732557482257
Energy: 2.242036807285369
Energy: 2.1664361702352526
Energy: 2.3413724060599876
Energy: 2.2751338361824636
Energy: -110.99788551681772
Energy: 2.153504018663664
Energy: 2.1283787386800177
Energy: 1.9958999268338027
Energy: 2.2312961555008735
Energy: 1.9231198494264865
Energy: 1.8266921418115416
Energy: 2.106601433065141
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Energy: 2.152165486510804
Energy: 2.217193597178256
Energy: 1.830860420312712
Energy: 1.831240174144001
Energy: 1.9142646240057324
Energy: 2.146643406773941
Energy: 2.1909449717082072
Energy: 1.850993134332856
Energy: 1.8358952851914567
Energy: 1.8307294949354005
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Energy: 2.5184590665112236
Energy: 2.922700089913264
Energy: 1.849637699989714
Energy: 1.8551063278506237
Energy: 1.8475963399424635
Energy: 2.176296039442467
Energy: 2.703261682611697
Energy: 2.5146117587980434
Energy: 2.705298622639375
Energy: 2.1944009442036077
Energy: 2.847190490447149
Energy: 1.9395730822125128
Energy: 2.689788957362722
Energy: 1.8478537338463585
Energy: 1.853055502368777
Energy: 1.9944029737141837
Energy: 2.2856700415630935
Energy: 2.018932102133192
Energy: 1.8596727823997317
Energy: 1.8476339558393542
Energy: 1.9238860541429896
Energy: 1.9922791562928377
Energy: 2.0861087727709573
Energy: 1.9663294476515187
Energy: 1.825716103799203
Energy: 1.8528409110704571
Energy: 1.9259410152536145
Energy: 2.1364468901489357
Energy: 2.174573107676351
Energy: 2.1016091219681488
Energy: 1.9248171007291663
Energy: 1.8551847826584957
Energy: 1.9301937679688184
Energy: 2.176199367470469
Energy: 2.1810549958619814
Energy: 2.4547150556532387
Energy: 1.8359728025809952
Energy: -111.51826683727994
Energy: 1.9459986660726118
Energy: 2.1433764149582446
Energy: 2.1550348216788593
Energy: 2.275274366238099
Energy: 1.8263700051021283
Energy: -111.08029244612541
Energy: -110.61040816517693
Energy: 2.408569773765566
Energy: 2.4085661734866126
Energy: 2.4158001341732724
Energy: 1.8808637976976037
Energy: 1.7245553923418444
Energy: 2.843627906500985
Energy: -53.67975835275639
Energy: 2.346951416611814
Energy: 2.5225218387887467
Energy: 1.6980549725447358
Energy: 1.669306035900886
Energy: 1.7027215108513092
Energy: 2.1405126950592908
Energy: 2.352319743101626
Energy: 1.9082922563802476
Energy: 1.707085019187231
Energy: 1.682232026803281
Energy: 1.6865493265335287
Energy: 1.7095631048226159
Energy: 2.308401461301623
Energy: 1.6856461967612104
Energy: 1.685876220006977
Energy: 1.6845981959568834
Energy: 1.6862282384864415
Energy: 2.1238661626951374
Energy: -55.68041110104535
Energy: 1.8939333942152337
Energy: 1.6983145781931943
Energy: 1.7033357087285135
Energy: 2.810842789126807
Energy: 2.168185885831558
Energy: -54.11495545117107
Energy: 2.3435203251716294
Energy: 2.3057019015241376
Energy: 2.8190766811928465
Energy: -51.43605664679052
Energy: 2.4129116332782226
Energy: 2.4223078276467764
Energy: 2.4838280296906676
Energy: 2.991748528402194

minimum gb energy = -111.83397622440172 eV
minimum distance =  2.27098995394785 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 2.7536140057172007
Energy: -151.20483349230005
Energy: 1.8372583434950294
Energy: 1.8331587498159556
Energy: 1.833525905827355
Energy: 2.317239336128962
Energy: -151.49283480616072
Energy: 1.589778721447409
Energy: 1.9246461256026675
Energy: 1.8854685345486104
Energy: 1.5972400293405389
Energy: 1.8705723609406961
Energy: 1.873653839626005
Energy: 1.5929906620463863
Energy: 1.8930096115037864
Energy: 1.4734211489454383
Energy: 1.590652863238061
Energy: 1.8721957104128164
Energy: 2.1145579150806566
Energy: 1.9085205943570915
Energy: 1.6007595377653092
Energy: 1.8892140794867074
Energy: 1.5998917067644196
Energy: 1.8923174762806634
Energy: 1.873159995385022
Energy: 1.8705581570423264
Energy: 1.8707057701184893
Energy: 1.9026318999273955
Energy: 1.5897708094410297
Energy: 1.8710320693900377
Energy: 1.8613142438431982
Energy: 1.8662639562529475
Energy: 2.427075559138528
Energy: 1.8905453338656468
Energy: 2.407169536917122
Energy: 1.871333946533444
Energy: 2.249381484981811
Energy: -152.41204960419844
Energy: 2.652282113541789
Energy: 1.9062677778928199
Energy: 1.8898894312664178
Energy: 2.249573120370429
Energy: 2.2489603285359405
Energy: -151.32365872746658
Energy: 1.8896846688608635
Energy: 1.905352331908573
Energy: 1.590471876303215
Energy: 2.250436244418452
Energy: 1.8630720848877387
Energy: 1.5887611007092686
Energy: 1.9294810878582167
Energy: 1.4765091982627396
Energy: 1.5927416440051407
Energy: 1.5908824555892713
Energy: 1.8711364733082059
Energy: 1.5920148410029844
Energy: 1.5904745772925057
Energy: -153.1744052687762
Energy: 1.5917825240933168
Energy: 1.8723827493267926
Energy: 1.8921314617224994
Energy: 1.892502211470875
Energy: 1.5888558470827974
Energy: 1.8629491612754612
Energy: 1.600758866769354
Energy: 1.8924263843115858
Energy: 1.861788698312841
Energy: 1.8676789070189925
Energy: 1.945368175060338
Energy: 1.890034196645255
Energy: 1.592345940334481
Energy: 1.8665355968231176
Energy: 1.8635731313085513
Energy: 1.866173330247524
Energy: 1.9007209647817698
Energy: -170.5862019785125
Energy: 1.5918421969161192
Energy: 1.8661777707029954
Energy: 2.285102848041818
Energy: -151.1005806701471
Energy: 1.8654676456479085
Energy: 1.8626259549697728
Energy: 1.5914332160175408
Energy: 2.2507625219252

minimum gb energy = -170.5862019785125 eV
minimum distance =  2.39598104374735 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 2.546768406056008
Energy: -62.75036724030098
Energy: 2.2226543961688003
Energy: 2.13985126674009
Energy: 2.2226160304804896
Energy: 3.0355444828394567
Energy: -63.136107777658175
Energy: 2.177600136236721
Energy: 2.1486238026493822
Energy: 2.117406528685679
Energy: 2.475684402691059
Energy: 1.817449334675922
Energy: 1.7923635145595445
Energy: 2.1363736538895792
Energy: -65.37222111431181
Energy: 2.023925285714474
Energy: 2.179223762595819
Energy: 1.7659761870988637
Energy: 1.7622169110170063
Energy: 1.8610334729709348
Energy: 1.9372881304166274
Energy: 2.160509539011776
Energy: 2.093431525513891
Energy: 1.7770216746841436
Energy: 1.7726587580481525
Energy: 1.8569584930426877
Energy: 2.2044685573514418
Energy: 2.1280684585009446
Energy: 1.8610643198502719
Energy: 1.8392736598560213
Energy: 1.7682935112401237
Energy: 2.0375055207360364
Energy: 2.726312193214788
Energy: 2.1983151781736683
Energy: 2.7289038238599095
Energy: 1.7651760089889263
Energy: 2.1885434585165062
Energy: 2.066957174473863
Energy: 2.1144206796907805
Energy: 2.1218927499776505
Energy: 2.4216004537128177
Energy: 2.064273979744152
Energy: -65.46657923881088
Energy: -133.30776680729417
Energy: 2.1348415178251012
Energy: 2.231998913409263
Energy: 2.169142157830958
Energy: 2.2137497042580483
Energy: 2.054570481008316
Energy: 1.7665113048244776
Energy: -64.17327386828318
Energy: 2.3106601935009
Energy: 2.426260448161084
Energy: 1.7614524131009768
Energy: 1.883703318734841
Energy: 1.896693615300804
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Energy: 2.1013662615653224
Energy: 1.8842963149110985
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Energy: 1.884553883352072
Energy: 2.002118926557691
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Energy: 1.900675418406615
Energy: 2.1051599704237276
Energy: 1.8857928411620366
Energy: 1.8837478296358372
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Energy: 1.8993364768391237
Energy: 1.9000446273279183
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Energy: 2.155219072864504
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Energy: 2.180757081417222
Energy: 1.9254418547034993
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Energy: 2.1052561204253784
Energy: 2.603771253989681
Energy: 1.7697145688735094
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Energy: 2.418576512814734
Energy: 2.1225900336744945
Energy: 1.9781088925629735
Energy: 1.8608253596774118
Energy: 1.8169933155154772
Energy: 1.8619901682626456
Energy: 2.2586011700815294
Energy: 2.1253286898213872
Energy: 2.0629710982748626
Energy: 1.8651536332309473
Energy: 1.7757047343851575
Energy: 1.8623261966738542
Energy: 2.175136211243053
Energy: -134.51839777479483
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Energy: 1.7678205086154677
Energy: 1.766781868311777
Energy: 2.001201105378926
Energy: 2.7312793699297053
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Energy: 2.385775444695292
Energy: 2.017453550438222
Energy: 2.155420011404857
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Energy: 2.107915569001241
Energy: 2.122298765998732
Energy: 2.036852689342228
Energy: 2.637723566406804
Energy: -65.24682665909066
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Energy: 1.9876013284118044
Energy: 2.1813249803993155
Energy: 2.4924397182097087
Energy: 1.7688864361895833
Energy: 2.0236990262276255
Energy: 2.4313769963568785
Energy: 2.2863835637911754
Energy: 2.1911774847642924
Energy: -65.0924142710804
Energy: 1.8880808321564801
Energy: 1.8839282626123355
Energy: 2.004818004681476
Energy: 2.59291822331922
Energy: 1.8839708817962675
Energy: 2.084646431565922
Energy: 1.7655914090659304
Energy: 1.8722306248274017
Energy: 2.121726213968877
Energy: 2.083052726653912
Energy: 1.904193392294485
Energy: 2.059155044682224
Energy: 2.071104071039544
Energy: 1.8820736737732624
Energy: 2.0076081650676585
Energy: 1.760047483888192
Energy: 1.9022880442773162
Energy: 2.067464034574225
Energy: 1.9214752714067431
Energy: 1.8837301938929705
Energy: 2.192479469350099
Energy: 1.888398706329006
Energy: 1.8993645211379304
Energy: 1.8966388588225804
Energy: -65.2366521242775
Energy: 2.2105761613850556
Energy: 2.1141262642599106
Energy: 1.8977341420980358
Energy: 1.9306369441233273
Energy: 1.959825717705977
Energy: 2.377317231480779
Energy: -75.21210304017683
Energy: 2.3132729634200726
Energy: 1.9501115999685539
Energy: 2.419704768116591
Energy: -62.75491895019678
Energy: 2.2791076639945547
Energy: 2.120617190041832
Energy: 2.4118086204517777
Energy: -133.625549754837

minimum gb energy = -134.51839777479483 eV
minimum distance =  0.00568675869773123 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 3.3523874098675566
Energy: -116.68985163191284
Energy: 1.8671497784868958
Energy: 1.8638635749342343
Energy: 1.8665599897660425
Energy: 3.0257127276187266
Energy: -117.01909766152451
Energy: 1.9523990893187002
Energy: 1.9589215442743189
Energy: 2.1014265449523184
Energy: 1.9592722177463617
Energy: 2.1070711783955205
Energy: 1.734670093956722
Energy: 1.9647279157588766
Energy: -118.54546959115785
Energy: 1.715285955811055
Energy: 1.9692298072678351
Energy: 1.7350286675341562
Energy: 1.7342303136972534
Energy: 1.9260295811078845
Energy: 2.0633991868330033
Energy: 1.7345852036132274
Energy: 2.056038827789247
Energy: 1.7346703388120637
Energy: 1.7365161938763827
Energy: 1.9111498786668155
Energy: 2.1234163805439463
Energy: 2.0826522376231003
Energy: 2.0643362055794765
Energy: 1.91108380676029
Energy: 1.7344738894659126
Energy: 1.9688122903400096
Energy: 2.5331740565165215
Energy: 1.734322902786056
Energy: 1.9613731903680514
Energy: 1.734683621093383
Energy: 2.0814123471075536
Energy: 2.0293876400098263
Energy: 1.7912555524730662
Energy: 1.8761490015381266
Energy: 2.110351932877458
Energy: -118.4625243223194
Energy: 2.0804990396961163
Energy: 1.9701461587188192
Energy: 1.881667752782
Energy: 1.8755113910841994
Energy: 1.8834021646237964
Energy: -137.0770596065514
Energy: 1.7363266034923919
Energy: 1.9664499605294505
Energy: 2.5136985964431444
Energy: 2.0902175228578055
Energy: 1.9666346031736024
Energy: 1.7352643217329873
Energy: 1.7341744674170463
Energy: 1.9677717358528208
Energy: 2.5247216074776917
Energy: 1.715824872829866
Energy: 1.9693411978399584
Energy: 1.7345845062812786
Energy: 1.714842700834298
Energy: 1.9042464690720142
Energy: 1.9640908549547862
Energy: 1.7347045294117267
Energy: 1.9647724638677113
Energy: -118.28952173038219
Energy: 1.7151890931292437
Energy: 1.9604227852046106
Energy: 1.9113586855514775
Energy: 1.7364366693269206
Energy: 1.9124905623844213
Energy: -119.04346298632176
Energy: 1.7362548254192491
Energy: 2.2194630807360762
Energy: 1.9120141895120681
Energy: 1.734789410141593
Energy: 1.9118446638172937
Energy: 2.1280912050239915
Energy: 2.0770298193194066
Energy: 1.9698124499664544
Energy: 1.7344234090849688
Energy: 1.734589360238078
Energy: 1.9659302763729396
Energy: 2.534302176456507
Energy: 2.08303342863542
Energy: 2.0872169241442267
Energy: 1.9650612801605252
Energy: 1.7347039798886459
Energy: 1.9722158401040926
Energy: 1.7349330060949142
Energy: 1.8639831362616877
Energy: 1.8746659312535285
Energy: -240.191708976595
Energy: 1.946410173861937
Energy: 2.4636223171396487
Energy: 1.8833414451123764
Energy: 1.715322882744334
Energy: 1.9523855786110926
Energy: 1.9615136277046188
Energy: -37.482680031664636
Energy: 2.1479344913221485
Energy: -118.44913157853827

minimum gb energy = -240.191708976595 eV
minimum distance =  0.0056900397897715 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: -196.07785806019095
Energy: -93.76143137456602
Energy: 1.9459797323591321
Energy: 2.0035823562489563
Energy: 1.943458873966716
Energy: 3.0075786955878563
Energy: -94.15309170191203
Energy: 2.131062858577861
Energy: 2.2104768892445708
Energy: -96.19576238786965
Energy: 2.1207792170496105
Energy: 2.2316312074850813
Energy: 1.8979407353707056
Energy: 1.851518443873852
Energy: 2.253465527386315
Energy: 2.1639873659071376
Energy: 2.170428639343987
Energy: 1.8949066079024293
Energy: 1.9407781252631946
Energy: 1.9792615977554213
Energy: 2.323163167657333
Energy: 1.8592067025170416
Energy: 2.1946749960606766
Energy: 1.9980600249089002
Energy: -96.99933468279797
Energy: 2.131949779549257
Energy: 2.2471796996937656
Energy: 1.8993579512436185
Energy: 2.045307417132943
Energy: 2.1656473042445903
Energy: 1.860688218668109
Energy: 2.323364133241692
Energy: 2.142155994851001
Energy: 1.8957698503504914
Energy: 2.217860748893926
Energy: 1.8596008317709032
Energy: 2.008884045627641
Energy: 2.1542138560311237
Energy: 1.9772422045285487
Energy: 1.9014278217297111
Energy: 1.9397534359988546
Energy: 2.1902371772706837
Energy: 1.991553050037491
Energy: 2.640805734052446
Energy: 1.9077744180990879
Energy: 1.9082189302872559
Energy: 2.132045667967278
Energy: 1.995782708385716
Energy: 1.9867103777462196
Energy: 1.8951492302585498
Energy: -195.3423682816535
Energy: 2.2197565884630306
Energy: 2.1668166547750274
Energy: 1.9960235243973996
Energy: 2.1883134520904237
Energy: 2.0609341285447087
Energy: -123.81687555604863
Energy: 2.215002663202324
Energy: 2.077912901161706
Energy: 2.0607732877178733
Energy: 2.0579825990705647
Energy: -94.07681110368901
Energy: 1.9086607761535803
Energy: 1.851748992357416
Energy: 2.155587561062188
Energy: 2.258949751455578
Energy: 2.075016070326007
Energy: -95.10058367107672
Energy: 1.9049748326382385
Energy: 1.902892639337692
Energy: 2.0767471590491193
Energy: 2.3275123146076426
Energy: 1.8952264384798339
Energy: 2.225202640235304
Energy: -95.50673174377594
Energy: 1.9034664733468174
Energy: 2.212267717459494
Energy: 1.9841625235406064
Energy: 1.9365145112236728
Energy: 1.9806189039806268
Energy: 2.5391443847623494
Energy: 1.90351963791092
Energy: 1.9811892381552219
Energy: 2.012887434510106
Energy: -97.08602370967165
Energy: 2.127423086964291
Energy: 2.0454532636847844
Energy: 1.8604008277639716
Energy: 2.068135479531589
Energy: 2.167578299809765
Energy: 1.8927559738606086
Energy: 2.060816058596054
Energy: 2.141138143264238
Energy: 2.173721597661871
Energy: 2.211031353508434
Energy: 2.0582092777245458
Energy: 2.1363401829019923
Energy: 2.203573976383341
Energy: 2.000935110734581
Energy: 1.9445224913948402
Energy: 1.9866303019582046
Energy: 2.4789689516378997
Energy: -108.8983733141461
Energy: 2.122030990426443
Energy: 1.8519288813479315
Energy: 1.851278618755087
Energy: 1.851712057918305
Energy: 2.651309079542086
Energy: 2.1320644371135495
Energy: 2.1344524296126455
Energy: 2.2336897619875633
Energy: -195.15277148289886
Energy: 2.3296641642373386
Energy: 1.8950867644515457
Energy: 1.9853895447352734
Energy: 2.003143853118077
Energy: -128.5345638027304
Energy: 2.2650869008317924
Energy: 2.1707008120133104
Energy: 1.9474509412688283
Energy: 2.058627682630138
Energy: 2.1307581173490195
Energy: 2.0617536235531313
Energy: 1.8516850412102428
Energy: 2.121876002586563
Energy: -93.7112326644469

minimum gb energy = -196.07785806019095 eV
minimum distance =  0.00569073225072018 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 2.071790873244311
Energy: -77.56179189133215
Energy: 1.925448429649384
Energy: 1.9263048417967534
Energy: 1.925382352701518
Energy: -164.5635573117855
Energy: -78.1142272043348
Energy: 2.2172362348026815
Energy: 1.929248593960961
Energy: -80.00515639425456
Energy: 2.240146227789822
Energy: -80.54395947569253
Energy: 1.8635988234417848
Energy: 1.8614643329367588
Energy: 2.394181480520946
Energy: 2.238412758971256
Energy: 2.1698646179758443
Energy: 1.8612743335329316
Energy: 1.9134749474825423
Energy: 2.0202197179139643
Energy: 1.9742960028306322
Energy: -80.86410307855112
Energy: 2.2821542117637024
Energy: 1.9208229026515216
Energy: 2.1746261680293757
Energy: 2.1794300035385077
Energy: 2.0139948028522197
Energy: 1.8977883467704675
Energy: 2.121020560214445
Energy: -81.20494419557559
Energy: 1.8722746054809973
Energy: 2.227793595469735
Energy: 2.0097236316649596
Energy: 1.8973894901605777
Energy: 2.111399823498282
Energy: 1.8360834463735343
Energy: 1.9121662102257326
Energy: 2.2339377870133355
Energy: 2.0729320012881254
Energy: 2.0589019107196855
Energy: 2.071918831400302
Energy: 2.1128812030645245
Energy: 1.9118693082837785
Energy: 2.248766393527274
Energy: 2.0709619731548234
Energy: 1.867947356147017
Energy: 2.2959487346207625
Energy: 1.9125657425151046
Energy: 1.9122512583276985
Energy: 2.040893017428005
Energy: 1.978950420995958
Energy: -164.48154574441537
Energy: 1.9724479874911245
Energy: 1.922426820971764
Energy: 1.9332838588560493
Energy: 1.8937702969428554
Energy: 2.207373198521968
Energy: -93.04571003135077
Energy: 2.1134779035294406
Energy: 2.031671576618158
Energy: 2.3118705104382546
Energy: -80.06376790850118
Energy: 1.913945978076283
Energy: 2.299270072152269
Energy: 2.2317941066734432
Energy: 2.6281451555639967
Energy: 2.3049160329543423
Energy: 2.4583363835693466
Energy: 2.0323083289633566
Energy: 1.868413578220914
Energy: 2.3353419047913127
Energy: -88.55962984335663
Energy: 1.9779288968765643
Energy: 1.8619207919502756
Energy: 2.898927700302609
Energy: 1.9318188071227334
Energy: -80.09706598476417
Energy: 2.008429575915484
Energy: 1.8677892698421925
Energy: 1.9234355795580909
Energy: -78.00834527466948
Energy: -80.5936108623025
Energy: 2.113350966174242
Energy: 1.9254226038828552
Energy: 1.926325827325298
Energy: -80.17226231686436
Energy: 1.8615583417567414
Energy: 1.861425219380102
Energy: 2.3318081214583968
Energy: 2.36635206516339
Energy: 1.925148078002302
Energy: 2.3686755842475584
Energy: 2.068539830160285
Energy: 1.9565130583571302
Energy: 2.016372623467757
Energy: -80.35621870021657
Energy: 1.898544017915183
Energy: 2.12029205169151
Energy: 2.1939492524720206
Energy: 2.0488197992154
Energy: 2.182376397593573
Energy: 1.896138852472724
Energy: 1.8982688079897736
Energy: 2.0769675422525835
Energy: 2.0688471275463396
Energy: 1.911459175522716
Energy: 2.1645998372439874
Energy: 2.0719025280482195
Energy: 1.8959371922271788
Energy: 2.073248321948231
Energy: 2.227063313120159
Energy: 1.91167235834006
Energy: 2.260057019067729
Energy: 2.077060040846919
Energy: 1.897302564047056
Energy: 2.084325687719263
Energy: 2.2523504120030857
Energy: 1.9117948772871785
Energy: 2.227417326681097
Energy: 1.8961126916791389
Energy: 2.3806349143783785
Energy: 2.2821723717796494
Energy: 2.0254357335763897
Energy: 1.8712654143484833
Energy: 2.0166751530430145
Energy: 2.152050570871389
Energy: 1.9125837164673227
Energy: 2.6511037539467828
Energy: 1.861930140356722
Energy: 1.9146461892476174
Energy: 1.8619160169948257
Energy: 2.62614264957559
Energy: 1.913082568121941
Energy: 2.2305195346103033
Energy: 2.5203270740338626
Energy: 2.310752642253271
Energy: 2.2921253376795616
Energy: 1.919445559375088
Energy: 2.256369067929188
Energy: 2.0323573448490295
Energy: 2.478176630786103
Energy: 2.2994083434975767
Energy: 2.4575120441683023
Energy: 1.8750915360326643
Energy: -80.38903766579847
Energy: -79.3748803622098
Energy: 2.032571747286483
Energy: 1.8613940837173932
Energy: 2.560677776574679
Energy: 2.1936886674530767

minimum gb energy = -164.5635573117855 eV
minimum distance =  2.33831125000614 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 2.4247148578662703
Energy: -65.78975048710956
Energy: 1.888534413381491
Energy: 1.889798654012489
Energy: 1.8884888819130947
Energy: -140.8499459942409
Energy: -66.30974122805607
Energy: 2.1446952430857746
Energy: 1.8945229889300137
Energy: -67.99369630530565
Energy: 2.227497057509133
Energy: -68.64021089598751
Energy: 1.8835454285242514
Energy: 1.8782983335156191
Energy: 2.396177979018343
Energy: 2.3933107583084157
Energy: 2.14482008907579
Energy: 1.794343249920696
Energy: 1.8592736660346407
Energy: 2.063234319271324
Energy: 2.045028923344246
Energy: -68.87623099128464
Energy: 2.1901553258171207
Energy: 1.8280886707091308
Energy: 1.7891247027423698
Energy: 2.2417279686952023
Energy: 1.9948949835391567
Energy: 1.8183401761220672
Energy: 2.0844780370735365
Energy: -69.07497165485867
Energy: 1.7944647066259845
Energy: 2.148595049281399
Energy: 1.9338794575048242
Energy: 1.8227574845309271
Energy: 2.1019299697540434
Energy: 1.8077256744004055
Energy: 1.8259932512498624
Energy: 2.0563997365387903
Energy: 2.0644466473438436
Energy: 2.0725844261221513
Energy: 2.054274979036684
Energy: 2.0550118976259117
Energy: 1.8305588442744969
Energy: 2.074928338300798
Energy: 2.2160638109884556
Energy: 1.8070916749135213
Energy: 2.2125575659010965
Energy: 1.8250752592248525
Energy: 2.0765606255233324
Energy: 2.0365330756246673
Energy: 2.2688739416628376
Energy: 1.8865582590676568
Energy: 2.089235241491696
Energy: 1.9473031703975863
Energy: 1.8225396805517102
Energy: 2.1221317648434885
Energy: 2.0847761779164435
Energy: 1.8769937660670282
Energy: 2.2231507937627084
Energy: 1.9024389225119287
Energy: 2.033382520948669
Energy: 1.8982824735068697
Energy: 1.8053216709331952
Energy: 1.8598549418804955
Energy: 1.806726244764277
Energy: -141.4828395020972
Energy: -140.86262857045534
Energy: 2.5823857345008685
Energy: 1.8933787909831532
Energy: 1.8062218022120684
Energy: 1.8336927483970398
Energy: 1.8412476599835461
Energy: 2.170442456845785
Energy: 1.8166762598101975
Energy: 2.1423295589543727
Energy: 1.8418302491419523
Energy: 2.3281389234398056
Energy: 1.8042740454140023
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Energy: 2.312122573071915
Energy: -69.31344092150437
Energy: 1.899335997780303
Energy: 2.144145489035513
Energy: 1.9836457174683613
Energy: 2.2401285445921775
Energy: -65.77198097471772
Energy: 1.8132409314116855
Energy: 1.8889972891983482
Energy: 1.794518273042719
Energy: -141.0358628166332
Energy: -74.98310704121921
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Energy: 1.829301980089986
Energy: 1.8102113604622942
Energy: 2.1352612041153285
Energy: 2.1575699388821894
Energy: 1.791866779443612
Energy: 1.7952338817573221
Energy: 2.392587782060018
Energy: 1.926232683990879
Energy: 2.3147828518150377
Energy: 1.7948066570989383
Energy: 1.8748577079640578
Energy: 1.8770054438967678
Energy: 1.981965243270646
Energy: 1.9278420280691515
Energy: 2.3249888874602886
Energy: 1.8591556548574393
Energy: 1.8000339360657907
Energy: 2.2337236320167224
Energy: 1.8169804415414683
Energy: 1.8251316079098399
Energy: 2.2104488727028877
Energy: -69.09400969141369
Energy: -69.5180804413894
Energy: 2.2131810412475503
Energy: 2.0558654358255155
Energy: 1.8211472993177245
Energy: 2.0339010844245635
Energy: 1.795192751637863
Energy: 1.8219942468909838
Energy: 2.270765990671812
Energy: 2.0576201969472425
Energy: 1.8240899039849878
Energy: 2.0394150972656293
Energy: 1.8073009301079834
Energy: 1.8292012767156054
Energy: 2.056777106610544
Energy: 2.0091841643395245
Energy: 1.8168127419850009
Energy: 2.101443212044415
Energy: 2.0675861866813
Energy: 1.8073707837895665
Energy: 2.059900630275054
Energy: 2.2128189416633726
Energy: 1.8624681490191202
Energy: 2.248943521033521
Energy: 2.0370545819181864
Energy: 1.823202236178137
Energy: 2.0550081111157397
Energy: 2.2337489163749775
Energy: 1.8068232901076724
Energy: 2.2408234444954327
Energy: 1.8169534701440764
Energy: -141.2320157786913
Energy: 1.9942920360606393
Energy: 1.8834795773318342
Energy: 1.8099178209686217
Energy: 1.8844809213479443
Energy: 2.106511630041961
Energy: 2.0148788763641865
Energy: 2.144605620646301
Energy: 1.803080550436046
Energy: 1.8059988037757884
Energy: 1.7946771441758187
Energy: -141.3783169687796
Energy: 2.169827973999791
Energy: 1.811496748807934
Energy: -140.58525553975582
Energy: 1.9011179458098315
Energy: 2.2229903871777514
Energy: 1.8164234235923535
Energy: 2.1720173303507915
Energy: 1.9803143640820853
Energy: 2.4386709648367266
Energy: 1.840923763690573
Energy: 2.144428495625834
Energy: 2.2200713483583936
Energy: 2.2392023784901043
Energy: -66.74798429236027
Energy: 1.8028042411200955
Energy: 1.889310402403053
Energy: 1.8839046265645514
Energy: 1.7888863338872945

minimum gb energy = -141.4828395020972 eV
minimum distance =  2.42973722934368 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 2.3742602092328515
Energy: -56.85535248096981
Energy: 1.8537869338590287
Energy: 2.080764176694012
Energy: 1.8538489007224515
Energy: 2.3770877149904965
Energy: -57.3096920483241
Energy: 2.1079060782764976
Energy: 1.7471958750558603
Energy: -58.837969030379575
Energy: 2.1077748763538238
Energy: -59.56152182921087
Energy: 1.7429721851042919
Energy: 1.7426932392942487
Energy: 2.379395957161463
Energy: -124.07275343062726
Energy: 2.1081582834796584
Energy: 1.7420187431897105
Energy: 1.7434295776703375
Energy: 2.038444014345945
Energy: 1.963334535549258
Energy: -59.70667132682354
Energy: 2.2951816108818863
Energy: 1.917533936737993
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Energy: 2.240373162384563
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Energy: 1.7432259784249409
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Energy: 2.0096501260025175
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Energy: 1.9940731070996145
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Energy: 1.7470374980540935
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Energy: 2.041890139390418
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Energy: 2.2277084872910025
Energy: 1.7426132621882846
Energy: 2.2309541549558247
Energy: 1.75105896679004
Energy: 1.7421905612636512
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Energy: 1.741954904449519
Energy: 1.955685493646362
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Energy: -124.15804958363385
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Energy: 2.079195996472109
Energy: 1.8062974767662319
Energy: 1.740925828664468
Energy: 1.8052535917538066
Energy: -123.36851640976964
Energy: 2.1041742942718655
Energy: 1.7478777647910353
Energy: -67.94490419692393
Energy: 1.969503268520066
Energy: 2.2237115563500423
Energy: 2.1039769440311056
Energy: 2.104938985742625
Energy: 1.7408840576021571
Energy: -67.18116552166329
Energy: 1.9692361506763532
Energy: 2.114727846109951
Energy: 2.2664860727777683
Energy: 2.180115827133778
Energy: -57.36570852405832
Energy: 1.7474215045957533
Energy: 1.7463960257055824
Energy: 1.7436306978779255
Energy: -123.39729556583956

minimum gb energy = -124.44713145882493 eV
minimum distance =  0.00568827449743362 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.019613164528128644
Energy: -510.5417340168583
Energy: 0.2693884948863208
Energy: 0.26970776435833616
Energy: 0.2694834743391309
Energy: 0.019671706793533427
Energy: -510.87672500614667
Energy: -512.0141402030733
Energy: -512.0418327106639
Energy: -510.9085121762241
Energy: -512.3073413155935
Energy: -511.8381681500222
Energy: 1.6167197643523625
Energy: 0.26944682784204843
Energy: 0.019666323896635994
Energy: 0.019834190894127805
Energy: -512.0298420259838
Energy: 0.269665464852124
Energy: 0.020615811076621818
Energy: -512.0141402030677
Energy: -512.0418327122086
Energy: -510.9085121762241
Energy: -512.3073413155993
Energy: -511.83816815003365

minimum gb energy = -512.3073413155993 eV
minimum distance =  0.00568823876062683 Angstroms
sigma value = 1