Model name: model_name=EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.860341995954514
cohesive_energy=4.301279955559085
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013281963714015325
Energy: 0.014167073986392152
Energy: -2.1510038573451467
Energy: 0.014167073986392152
Energy: 0.014167073986392152
Energy: 0.014011177171796702
Energy: 0.11659009629977211
Energy: 0.014011177171796702
Energy: -2.1509119207401373
Energy: 0.11659009629977211
Energy: 0.11617057815859134
Energy: 0.11659009629977211
Energy: 0.014167073986392152
Energy: 0.014011177171796702
Energy: 0.11659009629977211
Energy: 0.014011177171796702

minimum gb energy = -2.1510038573451467 eV
minimum distance =  2.47420453705445 Angstroms
sigma value = 1


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

Energy: -2.853341587725908
Energy: -3.2272200871220615
Energy: -2.160892560771275
Energy: -3.227424888320685
Energy: -2.9436735593869963
Energy: -3.1420474831909204
Energy: -3.9943197307484968
Energy: -3.142047681400592
Energy: -3.2190607786791707
Energy: -3.0683088458672083
Energy: -4.025275464127121
Energy: -3.0683087943540053
Energy: -3.039877177804758
Energy: -3.099599471314745
Energy: -3.6797305739457524
Energy: -3.0995873892329344
Energy: -2.8540872732105935
Energy: -3.0931298667620215
Energy: -3.5678236134846504
Energy: -3.0931302139975094
Energy: -2.96326619924912
Energy: -3.787563395451224
Energy: -3.262741602557071
Energy: -3.7875633441238628
Energy: -3.2288065766256113
Energy: -2.5861436777596247
Energy: -2.9032167748961557
Energy: -2.5861436716204866
Energy: -3.3906235783180647
Energy: -3.5128846583701416
Energy: -2.344727684588821
Energy: -3.51288465919718
Energy: -3.054873653648104
Energy: -3.229025678650469
Energy: -3.0572506563661808
Energy: -3.2148916075941996
Energy: -2.3180498727698877
Energy: -3.8061741682239365
Energy: -2.8038827252220657
Energy: -3.7660352428822423
Energy: -3.74677136188014
Energy: -3.086920106988331
Energy: -3.0428259521936423
Energy: -3.086917626031344
Energy: -2.784730000753189
Energy: -3.0909582409188965
Energy: -3.1044385280345184
Energy: -3.0909590633166264
Energy: -3.8887992162875453
Energy: -3.017904104831263
Energy: -2.9600150495875077
Energy: -3.0179041017112698
Energy: -3.353660281799679
Energy: -2.961611268324667
Energy: -2.845666167740565
Energy: -2.9616111884668253
Energy: -3.827202314852043
Energy: -3.271677778270791
Energy: -2.7491340309506045
Energy: -3.2716775963314384
Energy: -3.8297995718054354
Energy: -3.2759076390549646
Energy: -3.2404066526112474
Energy: -3.2760659329229185
Energy: -3.639000407897559
Energy: -2.9682161787136674
Energy: -2.9497960059013133
Energy: -2.9682161821057127
Energy: -3.9453155154218758
Energy: -2.9970102611286125
Energy: -2.9085714745546345
Energy: -2.997010296065424
Energy: -3.043199077747247
Energy: -2.713934822296974
Energy: -3.319554838166017
Energy: -2.7439806803044533
Energy: -3.1775503781500527
Energy: -3.0481825661108544
Energy: -2.9722344718254456
Energy: -3.048134715480595
Energy: -2.353714097051421
Energy: -3.819189245442222
Energy: -2.941351718315962
Energy: -3.8179526892054576
Energy: -3.009644845205643
Energy: -2.9979992995282085
Energy: -2.7565515210473457
Energy: -3.2819923143981042
Energy: -2.9610942517068044
Energy: -3.0170633760310928
Energy: -3.70304716490313
Energy: -3.0335598020533254
Energy: -3.524791561461762
Energy: -3.2770421592268995
Energy: -3.282664876050412
Energy: -3.277042396937364
Energy: -3.1460388246596502
Energy: -3.7682908673892044
Energy: -3.8774757539657325
Energy: -3.768131168431587
Energy: -2.886677284284302
Energy: -3.280665147267374
Energy: -2.6689241048276204
Energy: -3.1844971431368556
Energy: -2.9239549335912867
Energy: -3.041402159582833
Energy: -3.6256084138095237
Energy: -3.0414021399374795
Energy: -2.722029920739753
Energy: -3.0950309786927934
Energy: -4.3376412854362885
Energy: -3.09503097843289
Energy: -2.9122699992183327
Energy: -3.118804833989083
Energy: -2.462757155643623
Energy: -3.1188049440229766
Energy: -3.1455634730009727
Energy: -3.2350701725624607
Energy: -2.605891321002379
Energy: -3.2350759259779402
Energy: -2.8037703498048328
Energy: -3.0632942262302616
Energy: -4.011566896027047
Energy: -3.063294225267197
Energy: -3.0763955430899768
Energy: -3.8586546860590785
Energy: -3.960360630184321
Energy: -3.8809190659446853
Energy: -2.912147238875037
Energy: -3.11594203357395
Energy: -3.9323195780620064
Energy: -3.115942053767054

minimum gb energy = -4.3376412854362885 eV
minimum distance =  2.34364180468232 Angstroms
sigma value = 1


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

Energy: -2.0011945217187934
Energy: -2.4254663517173927
Energy: -2.5573890853595858
Energy: -2.4254663949745106
Energy: -2.293635168894714
Energy: -2.753693827012448
Energy: -2.363272684431078
Energy: -2.753693827260296
Energy: -2.4931705627014535
Energy: -2.786717438362106
Energy: -2.859154211304134
Energy: -2.7867174329423494
Energy: -2.801063239933182
Energy: -2.831650990049074
Energy: -2.3812855567020454
Energy: -2.831650990071239
Energy: -3.0617739987735404
Energy: -2.9015753699657476
Energy: -2.261191258861655
Energy: -2.901574943722782
Energy: -2.5606661509038964
Energy: -2.919574578545268
Energy: -2.9076992978291574
Energy: -2.846526700002495
Energy: -2.869403733433023
Energy: -2.4802345971225863
Energy: -2.9664939315173044
Energy: -2.480235626757875
Energy: -2.8078559868383817
Energy: -2.8324545476576155
Energy: -2.2802194262806705
Energy: -2.83245705410107
Energy: -2.8109557029781773
Energy: -2.952963635800789
Energy: -2.474131042573607
Energy: -2.9529590043695975
Energy: -2.4340149175056363
Energy: -2.8640335554292764
Energy: -3.16334809969278
Energy: -2.864122790622171
Energy: -2.851281186450596
Energy: -2.8155179626312976
Energy: -2.5067576808493226
Energy: -2.8155179627213123
Energy: -2.968790196141286
Energy: -2.7938913690947422
Energy: -2.5376504766436554
Energy: -2.793891369395233
Energy: -2.369589725388754
Energy: -2.5277870827023787
Energy: -2.0275476879076244
Energy: -2.5277900778283926
Energy: -2.3695897252987703
Energy: -2.3711022268785675
Energy: -2.041236891458562
Energy: -2.37110222688688
Energy: -2.873946150615153
Energy: -2.8559643886506616
Energy: -2.5984388923384794
Energy: -2.855964368167959
Energy: -2.975512020038175
Energy: -2.8785477048757344
Energy: -2.520953772862478
Energy: -2.8785477048563397
Energy: -2.4339869438360995
Energy: -2.809810292550025
Energy: -3.1457760657075586
Energy: -2.8098102897902897
Energy: -2.8693072584587487
Energy: -2.9226574832105956
Energy: -2.471604486146391
Energy: -2.9226565727743585
Energy: -2.807875623629362
Energy: -2.8898878207239878
Energy: -2.337344887065776
Energy: -2.923902331016786
Energy: -2.827776808657975
Energy: -2.3891485068795206
Energy: -2.97064734196728
Energy: -2.389148506868438
Energy: -2.4614797807877946
Energy: -2.915271554190191
Energy: -2.8895256259644593
Energy: -2.926567091079025
Energy: -3.172514265843942
Energy: -2.857694258905446
Energy: -2.2320484585158726
Energy: -2.8576928233008037
Energy: -2.792574432784158
Energy: -2.8322610722402346
Energy: -2.381465102486555
Energy: -2.832261072236079
Energy: -2.5350875366371173
Energy: -2.881780173469502
Energy: -2.78709596392922
Energy: -2.881780175265488
Energy: -2.285561694137173
Energy: -2.7867862032371495
Energy: -2.3632750868852397
Energy: -2.7867861735599178
Energy: -2.0011940681484623
Energy: -2.4254662828707727
Energy: -2.5608700038174144
Energy: -2.425466449670771
Energy: -2.2936351648402624
Energy: -2.753693827350311
Energy: -2.363273508563585
Energy: -2.753693827167542
Energy: -2.493171907788633
Energy: -2.786717440605365
Energy: -2.8591075554952115
Energy: -2.786717422306352
Energy: -2.8010384741330894
Energy: -2.83165099005323
Energy: -2.3811972920974243
Energy: -2.83165099005323

minimum gb energy = -3.172514265843942 eV
minimum distance =  2.35703431048165 Angstroms
sigma value = 25


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

Energy: -2.287904390685801
Energy: -2.6022270642931984
Energy: -1.3233789471609916
Energy: -2.6115289495452108
Energy: -2.102381603822009
Energy: -1.9948944244191735
Energy: -2.5921764871376918
Energy: -1.9771368094494748
Energy: -2.2904043931446725
Energy: -2.3446916388909242
Energy: -2.363169176011039
Energy: -2.416651040911392
Energy: -2.7453065145631355
Energy: -2.8877000240619877
Energy: -2.5385367274533173
Energy: -2.888168999069048
Energy: -2.311282265582695
Energy: -2.5982141999167614
Energy: -2.494958841568097
Energy: -2.6139655417789798
Energy: -2.5630050728199447
Energy: -2.6998237495080826
Energy: -2.6693824924346936
Energy: -2.55650852355919
Energy: -2.625391506880203
Energy: -2.8301750825078105
Energy: -2.0950697053751037
Energy: -2.830135758537477
Energy: -2.083190790278701
Energy: -3.2275825573013552
Energy: -2.3162206485016053
Energy: -3.0967754864710186
Energy: -2.1206658164835077
Energy: -2.0103492269987937
Energy: -1.742247636985665
Energy: -1.9707214633327648
Energy: -1.8787553620635782
Energy: -2.1806552066236575
Energy: -1.9684374462675271
Energy: -2.1809221274855433
Energy: -3.099884496659807
Energy: -2.4969102099331537
Energy: -2.724348141204001
Energy: -2.4523887279765417
Energy: -2.03879852366791
Energy: -2.492156473681764
Energy: -2.7561510119277357
Energy: -2.6192471205406354
Energy: -2.1041502343213105
Energy: -2.26513387148196
Energy: -2.0151365996665875
Energy: -2.3090498988405055
Energy: -2.2407899581456143
Energy: -2.876668263298521
Energy: -1.8000710421831059
Energy: -2.8804243169059016
Energy: -2.3298417199155135
Energy: -3.055154547366224
Energy: -2.2314079682872174
Energy: -3.148774120440354
Energy: -2.8720401007766427
Energy: -2.8887573177382513
Energy: -2.484749115166874
Energy: -2.805194471549435
Energy: -1.6899432001599144
Energy: -2.5268452224180358
Energy: -2.4452646223226364
Energy: -2.489319673398923
Energy: -2.2373982638299945
Energy: -2.2837547397041296
Energy: -2.4342703749651142
Energy: -2.4326905125228397
Energy: -2.9084853858511774
Energy: -2.636774900445453
Energy: -2.044614796948973
Energy: -2.581494671271722
Energy: -2.1233644598432027
Energy: -2.9239094622542354
Energy: -2.490182357241525
Energy: -2.8530382850897325
Energy: -2.2886788809858767
Energy: -1.9379035014784818
Energy: -2.7149970798242773
Energy: -1.9379078337709863
Energy: -2.0650406633548233
Energy: -2.3371653539458763
Energy: -2.7468032011169625
Energy: -2.2662915305095557
Energy: -2.1449875470952358
Energy: -2.219073239608555
Energy: -1.6379864896983491
Energy: -2.240717929965279
Energy: -2.506247941928692
Energy: -2.493539293327151
Energy: -2.7042930165292187
Energy: -2.523801637603646
Energy: -2.6123882277101362
Energy: -2.855408962234092
Energy: -2.4356465038023525
Energy: -2.8953137020571904

minimum gb energy = -3.2275825573013552 eV
minimum distance =  2.35898087185195 Angstroms
sigma value = 9


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

Energy: -2.1777693115026096
Energy: -2.4673972413733885
Energy: -0.5997288473085302
Energy: -2.5270235397495053
Energy: -1.142061053288337
Energy: -2.8797533169741696
Energy: -2.849995209266174
Energy: -2.8797690609879365
Energy: -2.028037584029073
Energy: -1.9486544313730991
Energy: -1.8159939906301201
Energy: -1.9777477982407876
Energy: -2.8499164087321405
Energy: -2.8667250629956036
Energy: -2.8656504665434315
Energy: -2.8287471520453313
Energy: -2.8900729168003685
Energy: -2.8443939648511547
Energy: -1.9768297231125587
Energy: -2.8239963810026674
Energy: -1.7155501411648109
Energy: -2.8606976737815497
Energy: -2.8594483200897645
Energy: -2.838632233350546
Energy: -1.939265525914791
Energy: -2.870813924441795
Energy: -1.8381309255346834
Energy: -2.8731454743722997
Energy: -1.7756794703488148
Energy: -2.832405756143897
Energy: -2.521172156213459
Energy: -2.8330122545255354
Energy: -1.732364384376137
Energy: -2.8778672293618652
Energy: -1.9507029439256622
Energy: -2.8588115089756054
Energy: -1.804465415913419
Energy: -2.5268009270152496
Energy: -2.5848827276880075
Energy: -2.530671656822681
Energy: -2.8491537891843204
Energy: -2.8273587129303612
Energy: -2.5245498229253207
Energy: -2.833167569358196
Energy: -1.8227181977918374
Energy: -1.1674433839074172
Energy: -1.9244073988175636
Energy: -1.1674431607085916
Energy: -1.7255822996092411
Energy: -2.8519300702273216
Energy: -2.850715655985848
Energy: -2.8539324992605906
Energy: -2.867284232192935
Energy: -2.3972146718950054
Energy: -2.8594224126243737
Energy: -2.4837351228275892
Energy: -2.853009744811362
Energy: -2.843002465473816
Energy: -1.7084330377916577
Energy: -2.8729347840864525
Energy: -1.8774625738486932
Energy: -1.17797474388351
Energy: -1.791866419734968
Energy: -1.1782332351314542
Energy: -2.519555914274436
Energy: -2.808898992047359
Energy: -2.880162775435985
Energy: -2.803677375539185
Energy: -2.643734771679128
Energy: -2.554936421798621
Energy: -1.7613194930351992
Energy: -2.5330700691622288
Energy: -1.9516463002226379
Energy: -2.8569064521955325
Energy: -1.6949783814993262
Energy: -2.8569196728928197
Energy: -2.5160205291037965
Energy: -2.872205260349449
Energy: -1.880084300863714
Energy: -2.8728943616457805
Energy: -1.8746400187632237
Energy: -2.8836549552357145
Energy: -1.8434022714332532
Energy: -2.8515149604855776

minimum gb energy = -2.8900729168003685 eV
minimum distance =  2.32908284033253 Angstroms
sigma value = 25


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

Energy: -2.4111237994235104
Energy: -2.468446908275975
Energy: -0.748144744711457
Energy: -2.243124486055249
Energy: -2.8089647906110824
Energy: -1.6339889867398647
Energy: -3.0143044191470456
Energy: -1.634061213951517
Energy: -2.7250242283081225
Energy: -2.057431616767755
Energy: -2.7655797022500894
Energy: -1.8568927895243392
Energy: -2.849739053574413
Energy: -2.3998229769385335
Energy: -2.608359410944707
Energy: -2.39048021520481
Energy: -3.062080765239994
Energy: -2.571348363985502
Energy: -2.685619539306957
Energy: -2.6388515388254867
Energy: -2.4951704993327564
Energy: -2.725083178864438
Energy: -2.8479706856450244
Energy: -2.6176370049999558
Energy: -2.9966285839592794
Energy: -2.474608789072168
Energy: -2.3091707559296446
Energy: -2.4683745029532065
Energy: -1.7671185672980012
Energy: -0.995283508664097
Energy: -2.6978049723204105
Energy: -0.9953184770442197
Energy: -2.413148612482973
Energy: -2.272874756560551
Energy: -1.5792872940765341
Energy: -2.343162955847797
Energy: -2.2593500182490063
Energy: -1.6725523527961406
Energy: -1.5357413671662552
Energy: -1.7452200387255574
Energy: -2.935149354821358
Energy: -2.6104536377887078
Energy: -2.013996494877548
Energy: -2.505712819263371
Energy: -2.9064392033570026
Energy: -2.909122940911674
Energy: -2.989807981402572
Energy: -2.7244978257849173
Energy: -1.8432612760601919
Energy: -1.464940507186083
Energy: -2.900034300897063
Energy: -1.5203439842327136
Energy: -2.8366843166973412
Energy: -2.8983962955531037
Energy: -2.547403415738992
Energy: -2.7775751721836834
Energy: -2.879720288464157
Energy: -2.722508143481736
Energy: -1.0747098838150202
Energy: -2.7779768377278953
Energy: -2.8841210969624935
Energy: -2.14661981819481
Energy: -2.7396719787963857
Energy: -1.9364817469292648
Energy: -3.0438972967943125
Energy: -2.7313633478711297
Energy: -2.987572007035951
Energy: -2.639283482438868

minimum gb energy = -3.062080765239994 eV
minimum distance =  2.36331504893406 Angstroms
sigma value = 17


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

Energy: -2.6331209407629883
Energy: -2.968750021227022
Energy: -1.4334622731937028
Energy: -2.968712492555571
Energy: -3.094616476596659
Energy: -2.6459084770209054
Energy: -3.234704699479115
Energy: -2.5628776735395418
Energy: -1.8382865704538351
Energy: -3.0929622452119534
Energy: -3.0196580791362924
Energy: -3.0661066955355047
Energy: -2.9546110243491515
Energy: -3.009959934183988
Energy: -2.709567458960023
Energy: -2.9824469275675263
Energy: -2.68709927379723
Energy: -2.3766744358220033
Energy: -3.097434616104997
Energy: -2.52998701477966
Energy: -2.920017282381013
Energy: -3.1846722249899355
Energy: -3.2514987636968353
Energy: -3.3223703950545915
Energy: -2.988768324566815
Energy: -2.1378433565002304
Energy: -3.169737407374969
Energy: -2.1378435280181938
Energy: -3.1830980303419807
Energy: -3.103775310467222
Energy: -2.228260650370013
Energy: -3.1038335859696318
Energy: -3.0789843536961605
Energy: -2.386762870255209
Energy: -2.9907976803109904
Energy: -2.508939896787424
Energy: -3.063354262167809
Energy: -2.526310420992433
Energy: -2.8724408284140726
Energy: -2.545253787864687
Energy: -3.3092479079823867
Energy: -3.05952175712411
Energy: -2.7497125181834465
Energy: -3.0867869027161645
Energy: -2.978462289146754
Energy: -3.0960696173491082
Energy: -3.252609915025289
Energy: -3.096070244770178
Energy: -2.118919856428593
Energy: -3.1355039645627563
Energy: -3.0001378633329323
Energy: -3.133002182828623
Energy: -2.9269665287008153
Energy: -2.9045813362580724
Energy: -2.704016668325137
Energy: -2.9045821632393776
Energy: -3.2065323395826666
Energy: -2.2447241506371993
Energy: -2.583839473861904
Energy: -2.2447666865685947
Energy: -2.6862470532141236
Energy: -2.7003702616292045
Energy: -2.9788561776222577
Energy: -2.700341082731143
Energy: -3.184933602001584
Energy: -2.208710907845468
Energy: -3.0392924068100236
Energy: -2.1710955295186016
Energy: -3.0912886675381652
Energy: -2.6126965412857848
Energy: -2.011479911101031
Energy: -2.612696548738152
Energy: -3.0361848786315306
Energy: -3.263237833061003
Energy: -3.1799118022240314
Energy: -3.2632384901840514
Energy: -2.478373205182587
Energy: -3.156401288847401
Energy: -3.2757369493754127
Energy: -3.1564013392778127
Energy: -3.1026723451620613
Energy: -1.8837393673680247
Energy: -2.743103046626706
Energy: -1.87129005799766
Energy: -2.849204032174269
Energy: -2.045108551378059
Energy: -2.9871327500223406
Energy: -2.0451085439485053
Energy: -1.879248171471124
Energy: -2.2821275747285865
Energy: -2.8936625486940546
Energy: -2.441816353583311
Energy: -3.320269711608925
Energy: -2.8996088590586404
Energy: -2.5508762396246154
Energy: -2.9002630227347166
Energy: -3.315778230814562
Energy: -2.46823924785211
Energy: -2.151059023460357
Energy: -2.468239037865778
Energy: -2.469313794340062
Energy: -2.939153083145671
Energy: -2.8988741657919372
Energy: -2.9436613256492397
Energy: -2.9352858417232683
Energy: -2.2349204919353047
Energy: -3.0030916967413406
Energy: -2.165959633042504
Energy: -2.8521197899466415
Energy: -2.719025368829643
Energy: -2.2126273095878073
Energy: -2.71901164657808
Energy: -2.836419246514679
Energy: -3.1585651344034007
Energy: -3.2894518891150355
Energy: -3.13697194927907
Energy: -3.00899543500675
Energy: -2.672722790935752
Energy: -3.437281660974157
Energy: -2.672959440416383

minimum gb energy = -3.437281660974157 eV
minimum distance =  2.33902914974272 Angstroms
sigma value = 53


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

Energy: -0.9701631395154587
Energy: -0.9015114023703278
Energy: 0.36550242281517464
Energy: -0.9015114025654118
Energy: -2.4822282120026498
Energy: -2.4691836545604704
Energy: -2.5109058957104287
Energy: -2.4692073750283403
Energy: -2.3179212233169255
Energy: -2.53225435667784
Energy: -2.530332220128785
Energy: -2.532342051821981
Energy: -2.5307907627117077
Energy: -2.520660429812109
Energy: -2.340406282209795
Energy: -2.5205327657678147
Energy: -2.543101123317386
Energy: -2.482097103401934
Energy: -2.4885032339599786
Energy: -2.4816454934893124
Energy: 0.36550241208705736
Energy: -0.9015114032233547
Energy: -0.9701635115565134
Energy: -0.901511403228318
Energy: -2.5108995012747206
Energy: -2.4692076556651967
Energy: -2.529803631689105
Energy: -2.469192644505054
Energy: -2.5403900479445864
Energy: -2.5313967142128453
Energy: -2.3314815700467633
Energy: -2.5323561544605795
Energy: -2.3211555952587206
Energy: -2.520708382624778
Energy: -2.533427655685957
Energy: -2.5206886095548544
Energy: -2.4993556915641477
Energy: -2.4820265370239265
Energy: -2.502533263172404
Energy: -2.482030198610498
Energy: -0.9701630309458925
Energy: -0.9015114014748835
Energy: 0.3655024151678882
Energy: -0.9015114025149336
Energy: -2.5201781808699657
Energy: -2.4691894930094165
Energy: -2.5109004523966765
Energy: -2.4691753607629363
Energy: -2.318432295500982
Energy: -2.5324431902620184
Energy: -2.5353683638659112
Energy: -2.5318780823522262

minimum gb energy = -2.543101123317386 eV
minimum distance =  2.36737187720543 Angstroms
sigma value = 9


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

Energy: -3.5822964470180696
Energy: -3.0817289838262907
Energy: -2.3042106815599492
Energy: -3.0817293896907514
Energy: -3.5375988305941823
Energy: -3.8238066936004302
Energy: -2.949373013346442
Energy: -3.8240428247136413
Energy: -3.3575420972421264
Energy: -3.3007752891098026
Energy: -3.144062581656843
Energy: -3.300775289047943
Energy: -3.2796267702329467
Energy: -3.228158761752294
Energy: -3.514587921528034
Energy: -3.2281587614909943
Energy: -3.173104402416407
Energy: -4.156464344036597
Energy: -3.532683377839954
Energy: -4.115059133896947
Energy: -2.795025388994033
Energy: -3.8569390244640527
Energy: -3.465612444451826
Energy: -3.8569851395873087
Energy: -3.2983372360421743
Energy: -3.5340356530996075
Energy: -3.509555507832816
Energy: -3.5340356529059527
Energy: -3.151508056271421
Energy: -3.4393402694674498
Energy: -3.2172676913427747
Energy: -3.4393402691236545
Energy: -3.424340222721508
Energy: -3.7308277223335304
Energy: -3.183520227697865
Energy: -3.7308277386445248
Energy: -3.563206068345565
Energy: -3.2633788293179795
Energy: -3.078776063662118
Energy: -3.263378834085313
Energy: -3.0383385153559193
Energy: -3.6874009181387364
Energy: -3.1753020455779573
Energy: -3.6873720852937164
Energy: -3.24008503988808
Energy: -3.4796339025969236
Energy: -3.5798132556822333
Energy: -3.479633902664568
Energy: -3.070632912712102
Energy: -3.0989499278307053
Energy: -3.1778105390961815
Energy: -3.098949921929997
Energy: -3.1730247588177387
Energy: -3.5894476624751666
Energy: -3.3478674394060834
Energy: -3.5894476601144043
Energy: -3.3074022745199114
Energy: -3.371581073355566
Energy: -3.3174189107561345
Energy: -3.3715818083484423
Energy: -2.9125579591775073
Energy: -3.239394078645112
Energy: -3.324543652134324
Energy: -3.239394077165648
Energy: -3.3735235425099117
Energy: -3.35228393406393
Energy: -3.059447539999377
Energy: -3.3522839372532536
Energy: -3.1298733457701173
Energy: -3.158037385410495
Energy: -2.9175025638481147
Energy: -3.1580373885688617
Energy: -3.0935027954913896
Energy: -3.3609781315539857
Energy: -3.1611327318316977
Energy: -3.360978131587182
Energy: -3.409476605278667
Energy: -3.298661322713527
Energy: -3.290082510273903
Energy: -3.2986613286211663
Energy: -3.2373056590232294
Energy: -3.345649436576148
Energy: -3.251109652905876
Energy: -3.3456494946278243
Energy: -3.143595055827744
Energy: -3.0795383594116426
Energy: -3.5286425801366694
Energy: -3.07952765059773
Energy: -3.2703996995854707
Energy: -3.6458909019021704
Energy: -3.453086582213268
Energy: -3.645890859649209
Energy: -3.1526072931314095
Energy: -3.20987844842239
Energy: -2.9490031445601343
Energy: -3.209879092714086
Energy: -3.2729132705729143
Energy: -3.544236490029369
Energy: -3.3128382477723015
Energy: -3.54423647789557
Energy: -3.133469374128248
Energy: -3.1819248728167286
Energy: -3.3315649291084375
Energy: -3.1819249971953614
Energy: -3.5333214096977548
Energy: -3.657772108415122
Energy: -3.0445237205100546
Energy: -3.6577704203046926
Energy: -3.5198892609535197
Energy: -3.555678097396102
Energy: -3.1903887333615795
Energy: -3.5556780978212483
Energy: -3.2709021434620595
Energy: -3.0838742019437206
Energy: -3.4306203838723737
Energy: -3.083874202971668
Energy: -3.2770117173627815
Energy: -3.2647392461824385
Energy: -3.3526621269953654
Energy: -3.2647389865943266
Energy: -3.107711545954061
Energy: -3.1243476289079606
Energy: -3.1368781330135884
Energy: -3.1243476614817958
Energy: -3.0881140494242283
Energy: -3.058765987500385
Energy: -3.416837384780979
Energy: -3.058765988255621
Energy: -2.8483277864512972
Energy: -3.2081491640198116
Energy: -3.5763332208085363
Energy: -3.2081438309736923
Energy: -3.526425126700773
Energy: -3.3508539610948054
Energy: -3.1987433737944553
Energy: -3.3508538384523487
Energy: -3.2215782500366847
Energy: -3.344543833794668
Energy: -3.081260039089015
Energy: -3.3445438260282274

minimum gb energy = -4.156464344036597 eV
minimum distance =  2.37001067612238 Angstroms
sigma value = 73


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

Energy: -1.7852630419892441
Energy: -1.4876814861013252
Energy: -0.8790795653028498
Energy: -1.458920319505875
Energy: -2.0667540041713384
Energy: -2.518197862363035
Energy: -1.6355632323265108
Energy: -2.5010500534444637
Energy: -1.7669950532338616
Energy: -1.8154664537695637
Energy: -1.3912429112788738
Energy: -1.815465631185108
Energy: -1.8133827152018398
Energy: -2.183763434275791
Energy: -1.9899874460004048
Energy: -2.1587576187450153
Energy: -1.5742786788986176
Energy: -2.5419576843612677
Energy: -1.9950465805839135
Energy: -2.5155146023672588
Energy: -1.3431047930663775
Energy: -2.1510583634207494
Energy: -1.51937219263769
Energy: -2.13931466520675
Energy: -1.8803220257126678
Energy: -2.587549108802219
Energy: -1.8728481881813768
Energy: -2.570268640050044
Energy: -1.6730071096222925
Energy: -2.153470681502395
Energy: -1.8209922336420106
Energy: -2.1528765497680573
Energy: -1.6541858679490702
Energy: -2.33593069465754
Energy: -1.8876951890017053
Energy: -2.335909642761221
Energy: -2.1065023829857497
Energy: -2.452453254780694
Energy: -1.9844849327435918
Energy: -2.394317304879174
Energy: -2.0988597131712874
Energy: -1.75612824997414
Energy: -1.5172538581901684
Energy: -1.7560686580097002
Energy: -2.0066274982837315
Energy: -2.684173814187878
Energy: -1.9552492870576175
Energy: -2.6722925583373907
Energy: -1.576908267631673
Energy: -2.5650878501056784
Energy: -1.5561341388326422
Energy: -2.5504423733031305
Energy: -1.7287149084310915
Energy: -1.9976556097494536
Energy: -1.853861501759042
Energy: -1.9465335364346388
Energy: -1.7324893216031996
Energy: -2.2790713265936504
Energy: -1.9838916521361518
Energy: -2.28022227649161
Energy: -1.612051569224434
Energy: -1.6567198582134006
Energy: -2.0907585004069302
Energy: -1.6831342795321051
Energy: -1.967954487236704
Energy: -2.245566895981618
Energy: -1.4930215227690011
Energy: -2.279972763343309
Energy: -1.9933455244163916
Energy: -2.4385065520976883
Energy: -1.5410870084291595
Energy: -2.3868234960247294
Energy: -1.7608158464408061
Energy: -2.0062410861685027
Energy: -1.9792340820132968
Energy: -2.0639063037253984
Energy: -1.7302634077388535
Energy: -1.8304816412508917
Energy: -1.4205907228063785
Energy: -1.8756812530784959
Energy: -1.7636052191259388
Energy: -1.7334500456931277
Energy: -1.970306856803307
Energy: -1.700449708511239
Energy: -1.6768139081785831
Energy: -2.482521508342201
Energy: -1.7908698290273488
Energy: -2.472621329701277

minimum gb energy = -2.684173814187878 eV
minimum distance =  2.35249819053877 Angstroms
sigma value = 7


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

Energy: -3.0595580752261538
Energy: -3.1154224887892146
Energy: -1.9901708934836841
Energy: -3.1295920784404503
Energy: -4.363675011809081
Energy: -3.5467304140936124
Energy: -2.9705738175478507
Energy: -3.5459869182997727
Energy: -3.294207260179347
Energy: -2.1881949885322425
Energy: -2.3312753477683366
Energy: -2.188195062587161
Energy: -3.3682547201059436
Energy: -3.7142288243706734
Energy: -3.4466917195257034
Energy: -3.714222213059236
Energy: -2.1626546846837362
Energy: -3.01119257607926
Energy: -3.7852155951144226
Energy: -3.03797380809526
Energy: -2.5212113766003736
Energy: -3.795254897596633
Energy: -3.2822813482834694
Energy: -3.8182670374807977
Energy: -3.574589680940781
Energy: -3.6509789705861593
Energy: -3.036624381581209
Energy: -3.6509785416835103
Energy: -2.9654572927361817
Energy: -3.618154476463077
Energy: -2.6217675959139783
Energy: -3.618147064918887
Energy: -3.251330030523395
Energy: -3.44293048677873
Energy: -3.306349196098675
Energy: -3.3498713381719933
Energy: -3.299566603612987
Energy: -4.313748098491935
Energy: -3.3664586893979487
Energy: -4.462745893069319
Energy: -2.83748120874474
Energy: -3.367481417218874
Energy: -2.839258108279435
Energy: -3.4165370425371164
Energy: -2.514903087485343
Energy: -3.6746703968354497
Energy: -3.3902285538359
Energy: -3.9011510384107275
Energy: -2.6219204624270445
Energy: -4.2607190714881185
Energy: -3.393168832462084
Energy: -4.26071291647837
Energy: -2.7531682263699797
Energy: -3.2757494245036773
Energy: -3.1142784855201326
Energy: -3.2757494241963814
Energy: -3.4262702455409473
Energy: -4.327631159348037
Energy: -3.2044012556425203
Energy: -4.327630479376098
Energy: -3.474018182110294
Energy: -2.4967207983075976
Energy: -3.336001969225789
Energy: -2.496721894135171
Energy: -3.0512797395527507
Energy: -4.386571893725693
Energy: -2.558480812277914
Energy: -4.364085081383636
Energy: -3.7903789275633595
Energy: -3.354420734898971
Energy: -3.5252556364179877
Energy: -3.415298665302129
Energy: -2.1311361208975206
Energy: -3.6484404794799676
Energy: -3.8125040181680663
Energy: -3.648436019823716
Energy: -2.512236374669769
Energy: -3.2505389909782565
Energy: -3.6012555880929167
Energy: -3.250538990992406
Energy: -3.2899798023161155
Energy: -3.529190077279354
Energy: -3.458519302481087
Energy: -3.5002805381452844
Energy: -3.299249455508087
Energy: -3.4385014562538676
Energy: -2.231093461505788
Energy: -3.4385016009978013
Energy: -4.567085231373946
Energy: -3.838148734172357
Energy: -2.8741461804599293
Energy: -3.8381480550939506
Energy: -3.0094133886103513
Energy: -4.3609148897912915
Energy: -2.606155119840706
Energy: -4.302841312317112
Energy: -4.510114082634822
Energy: -3.649546530852774
Energy: -3.543226847261024
Energy: -3.6495396262067423
Energy: -2.923082315928972
Energy: -2.7801549162562686
Energy: -2.2848513104203154
Energy: -2.7801549162897112
Energy: -3.396345669885422
Energy: -3.6688957641953426
Energy: -3.4115374130977525
Energy: -3.6688957764864223
Energy: -2.5891915183912984
Energy: -2.766482783148897
Energy: -3.4020691570493
Energy: -2.7664827838238555
Energy: -2.6409886555118858
Energy: -3.3136094764633297
Energy: -3.0519737045567856
Energy: -3.3213394554389795
Energy: -3.097730402576143
Energy: -3.4284649222253645
Energy: -3.0764308947312307
Energy: -3.428463707309536
Energy: -3.0847438936237923
Energy: -3.0902406239673414
Energy: -2.6409886549899038
Energy: -3.0902406271300755

minimum gb energy = -4.567085231373946 eV
minimum distance =  2.31831229431351 Angstroms
sigma value = 29


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

Energy: -2.1033383168816195
Energy: -2.6562327046841703
Energy: -2.2768009202716772
Energy: -2.6435623042304934
Energy: -2.796491142770179
Energy: -3.3284586477648928
Energy: -2.410484504608505
Energy: -3.3575407082302497
Energy: -2.7019941723090812
Energy: -2.70685664836395
Energy: -2.696838591310005
Energy: -2.774732835460566
Energy: -2.2633643997294253
Energy: -2.6179864192014057
Energy: -2.7012829762214055
Energy: -2.617967421963348
Energy: -2.367787581467306
Energy: -2.696979644350701
Energy: -2.718147888334836
Energy: -2.7031832912310967
Energy: -2.7157162589147243
Energy: -2.6798775351678334
Energy: -2.7160208541428577
Energy: -2.7342962152472383
Energy: -2.7932538580718624
Energy: -2.724767974851391
Energy: -2.854578451106863
Energy: -2.740730348309877
Energy: -2.014566673442759
Energy: -2.671864686218294
Energy: -2.8867759831316815
Energy: -2.7029948283488268
Energy: -2.8106312168945458
Energy: -2.4198058741475963
Energy: -2.7038690591542496
Energy: -2.4319261732508184

minimum gb energy = -3.3575407082302497 eV
minimum distance =  2.38299442251707 Angstroms
sigma value = 5


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

Energy: -2.6648715795261513
Energy: -2.760170890665187
Energy: -1.874837308178813
Energy: -2.760170890322663
Energy: -2.981691183293897
Energy: -2.77497585881377
Energy: -2.9833179821634115
Energy: -2.774975858742139
Energy: -2.346534992338105
Energy: -2.6978016248859698
Energy: -2.8173567066286185
Energy: -2.6978010830125676
Energy: -2.485426199536846
Energy: -2.4182805480199843
Energy: -2.497733040851949
Energy: -2.4182805472342013
Energy: -2.655894642742184
Energy: -2.7616867711033968
Energy: -2.8929074950763165
Energy: -2.7616859094683104
Energy: -2.2572181954913484
Energy: -1.6080232586754408
Energy: -2.8057651495973737
Energy: -1.608023258762922
Energy: -2.799114466671541
Energy: -2.6344770484883164
Energy: -2.448811754036112
Energy: -2.6344770484980367
Energy: -2.712040719332075
Energy: -2.750837519337137
Energy: -2.2714804651381266
Energy: -2.7508375280497868
Energy: -2.448366400581217
Energy: -2.8366956357458153
Energy: -3.0749507842609365
Energy: -2.8366956353596064
Energy: -2.268314013964793
Energy: -2.7991571931096226
Energy: -2.939625769624793
Energy: -2.799157185888348
Energy: -2.651561806307053
Energy: -2.738567159736891
Energy: -1.66411394254661
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Energy: -2.7215786581758366
Energy: -2.5761610918620086
Energy: -2.5921011120754653
Energy: -2.576161091808548
Energy: -2.3131438984459223
Energy: -1.3831549804605558
Energy: -2.8354835494633988
Energy: -1.383154980384065
Energy: -2.692923427048995
Energy: -2.601275174790387
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Energy: -2.6012751749531438
Energy: -2.471800511951489
Energy: -2.4113265325683733
Energy: -2.947129719549712
Energy: -2.4114764537836897
Energy: -2.395570755417025
Energy: -2.8516148384180275
Energy: -2.945278363064342
Energy: -2.8516148383742874
Energy: -2.7037944366039706
Energy: -2.644603818479229
Energy: -3.05267280501817
Energy: -2.6446038184707237
Energy: -2.821898594695109
Energy: -2.7295111070856053
Energy: -2.4232621478313128
Energy: -2.7295114106133664
Energy: -2.868909927326529
Energy: -2.7775019216662344
Energy: -2.9500435226181283
Energy: -2.7775019215131977
Energy: -2.591580228267982
Energy: -2.574236114269357
Energy: -2.5328776531840997
Energy: -2.574236114118751
Energy: -2.6059210438486287
Energy: -2.499603026871905
Energy: -2.4941987120690423
Energy: -2.499603027259329
Energy: -2.5968873163684756
Energy: -2.61193024348193
Energy: -2.940699043667417
Energy: -2.6119302441753716
Energy: -2.3706852031912793
Energy: -2.7391407120263476
Energy: -2.6441049019161436
Energy: -2.7391407107110943
Energy: -3.001508737399429
Energy: -2.826967610963258
Energy: -2.8402638646550917
Energy: -2.8269676118716474
Energy: -3.099637396208931
Energy: -2.818918299868839
Energy: -2.5864981385116796
Energy: -2.8189183008732144
Energy: -2.857001618594235
Energy: -2.827890713169188
Energy: -2.823978015760192
Energy: -2.8278907367056814
Energy: -2.407965617401999
Energy: -2.752307475101155
Energy: -2.6498320883386723
Energy: -2.752307476693321
Energy: -2.624661462156013
Energy: -2.4544438334515286
Energy: -1.7264291357408925
Energy: -2.4544438334648944
Energy: -2.6472593738826378
Energy: -2.6013693647262577
Energy: -2.868484490689651
Energy: -2.6013693658593695
Energy: -2.460446771621519
Energy: -2.0105578537270805
Energy: -2.0413816870011807
Energy: -2.0105578535352184
Energy: -2.8177749104916896
Energy: -2.6882104735092502
Energy: -2.507196141805624
Energy: -2.6882104734800896
Energy: -2.855025719589658
Energy: -2.603853190394017
Energy: -2.7891061302518083
Energy: -2.603873602058234
Energy: -2.0656814698098582
Energy: -2.731026525209084
Energy: -2.831669270986117
Energy: -2.731026525192074

minimum gb energy = -3.099637396208931 eV
minimum distance =  2.34633511662072 Angstroms
sigma value = 1


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

Energy: -1.0735916481339693
Energy: -1.0229139734233645
Energy: -1.4407070087198952
Energy: -1.0229139734300843
Energy: -1.8473721059810866
Energy: -1.5082704722640914
Energy: -1.2216931379019302
Energy: -1.5082704722388918
Energy: -0.7100761801764208
Energy: -1.4261031979799443
Energy: -1.3328604971064786
Energy: -1.4262099130414043
Energy: -1.3945000379164514
Energy: -1.363688017775461
Energy: -1.3317626693227107
Energy: -1.3636880522832777
Energy: -1.9198371326048396
Energy: -1.0806166674116156
Energy: -1.5450658261218728
Energy: -1.0806166673595368
Energy: -1.435332882912304
Energy: -1.3333433955307654
Energy: -1.5067152645691078
Energy: -1.3333433047071586
Energy: -1.4024743990984367
Energy: -1.375265775391728
Energy: -0.6489032009271054
Energy: -1.371660824712656
Energy: -1.342459031938669
Energy: -1.3852843100109005
Energy: -0.7530857528546798
Energy: -1.38528436998736
Energy: -0.09634366998976389
Energy: -1.3131449590663233
Energy: -1.1092230284247706
Energy: -1.3131449607371575
Energy: -0.09640523128802103
Energy: -1.3155515811741743
Energy: -1.093566128648918
Energy: -1.3155515807426155
Energy: -1.3909854595193092
Energy: -1.3067173822740505
Energy: -0.7531036064813729
Energy: -1.3067174137928763
Energy: -1.3338718097819209
Energy: -1.336242321280845
Energy: -0.6489034369136747
Energy: -1.3362423443162956
Energy: -1.4134060040554253
Energy: -1.229421554896696
Energy: -1.4595257467223217
Energy: -1.226277107813958
Energy: -1.9742085773448117
Energy: -1.078027999203312
Energy: -1.5316866616714657
Energy: -1.078027999201632
Energy: -1.3024948663941698
Energy: -1.3381961317305153
Energy: -1.250015649721471
Energy: -1.338727610662263
Energy: -0.7100761616395961
Energy: -1.3302396705719213
Energy: -1.322481765853606
Energy: -1.3302397313308985
Energy: -1.8007737080190214
Energy: -1.5462366842219115
Energy: -1.2152698166475284
Energy: -1.5462541197429445
Energy: -1.0735916485621682
Energy: -1.0229139733780437
Energy: -1.5242997842293042
Energy: -1.0229139734384838
Energy: -1.847368280618468
Energy: -1.5082704722607314
Energy: -1.2216674974698525
Energy: -1.5082704722489717
Energy: -0.7100761570183716
Energy: -1.4260907061089152
Energy: -1.3328557944185877
Energy: -1.426264872745021
Energy: -1.3281977491431392
Energy: -1.3637009123605148
Energy: -1.3443248779424637
Energy: -1.3636847732343298
Energy: -1.9198371327761188
Energy: -1.0806166674065758
Energy: -1.5443105671959898
Energy: -1.0806166673746564
Energy: -1.3794138438817907
Energy: -1.3333426944524005
Energy: -1.506715166828803
Energy: -1.3333425476723624
Energy: -1.4018630272015795
Energy: -1.3829347540877481
Energy: -0.6489077891480232
Energy: -1.3715044250289834

minimum gb energy = -1.9742085773448117 eV
minimum distance =  2.330429237183 Angstroms
sigma value = 17


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

Energy: -3.2133426882789426
Energy: -3.823806020338766
Energy: -2.8726540810677097
Energy: -3.8238060203283823
Energy: -3.2036127313131773
Energy: -3.3781705142343323
Energy: -2.8203688147126296
Energy: -3.378170514244716
Energy: -2.7798307524628783
Energy: -2.924913434899028
Energy: -3.1313053876612478
Energy: -2.9249134349031816
Energy: -2.613260286727589
Energy: -2.6673165444390614
Energy: -3.2303393887460774
Energy: -2.667316544436985
Energy: -2.740318389256628
Energy: -2.8746015868180987
Energy: -2.775808345224669
Energy: -2.874601586883468
Energy: -2.8898738498307424
Energy: -2.640322937284298
Energy: -2.5795674395785926
Energy: -2.640322937271885
Energy: -2.9481908388544453
Energy: -2.702591812041616
Energy: -3.295344533779592
Energy: -2.7025918120426544
Energy: -2.976080662466476
Energy: -2.618841144451636
Energy: -2.672516839181701
Energy: -2.6188411444474826
Energy: -2.6880145939615616
Energy: -3.296089454434242
Energy: -2.930987809644825
Energy: -3.2960894544560007
Energy: -2.6436998518044237
Energy: -3.284304184852266
Energy: -3.025559067561264
Energy: -3.2843041853743196
Energy: -3.030240188479098
Energy: -2.804719361504812
Energy: -2.617646665840802
Energy: -2.8047193630045646
Energy: -3.083674004992427
Energy: -2.85984813909939
Energy: -2.6518292464094313
Energy: -2.859847965749333
Energy: -2.6235328001929537
Energy: -2.9091760535537006
Energy: -2.658878533661979
Energy: -2.9091760630202788
Energy: -2.7932582280040803
Energy: -2.88106300988393
Energy: -2.7313242269899907
Energy: -2.8810630098745844
Energy: -2.6953685257218827
Energy: -2.9913712772025693
Energy: -2.761255713559876
Energy: -2.9913712777661567
Energy: -2.5572460066248155
Energy: -2.7583135055291
Energy: -2.8669458800522354
Energy: -2.7583135737214266
Energy: -2.8773736913730676
Energy: -2.7478667888266504
Energy: -2.8161760563320493
Energy: -2.747866788841187
Energy: -2.9861450875578908
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Energy: -2.867625082989975
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Energy: -3.34372140771402
Energy: -3.137194431022536
Energy: -3.256884656502551
Energy: -3.537685614120181
Energy: -3.256884656506704
Energy: -3.0714000181590615
Energy: -3.0465880621069084
Energy: -2.934335097741442
Energy: -3.0465880621069084
Energy: -2.9070711176740667
Energy: -2.881202759051967
Energy: -3.1479617602878185
Energy: -2.8812027590530054
Energy: -3.21400073623949
Energy: -2.54108152706045
Energy: -3.3872448636626666
Energy: -2.541081527081217
Energy: -2.850779376807295
Energy: -2.7364510237993405
Energy: -2.7980206919431767
Energy: -2.7364510229596934
Energy: -2.784017141099997
Energy: -2.827902280172178
Energy: -2.604003558889834
Energy: -2.82790228017114
Energy: -2.720166089147139
Energy: -3.0897238583444078
Energy: -3.0619161375196913
Energy: -3.0862699617167006
Energy: -2.718088750126304
Energy: -2.87247158926886
Energy: -2.789461090765726
Energy: -2.872471589278205
Energy: -3.4583117393654286
Energy: -3.2861375787205414
Energy: -2.718450348722965
Energy: -3.28613748706984
Energy: -3.298720679740788
Energy: -2.961323679523437
Energy: -2.720033615133119
Energy: -2.9613236794642512
Energy: -2.670390179213765
Energy: -2.999644121309714
Energy: -3.084377603024293
Energy: -2.999644097267032
Energy: -2.575244546603624
Energy: -2.9964474339252907
Energy: -2.7008605978070865
Energy: -2.9964457878042228
Energy: -2.7210816323721545
Energy: -2.7190425062487575
Energy: -2.7136802129000177
Energy: -2.719042506289253
Energy: -2.7252199600246465
Energy: -2.6878415031798366
Energy: -2.7731280053832825
Energy: -2.687841503127966
Energy: -3.093079286908016
Energy: -2.7486387675474515
Energy: -2.9262310563938576
Energy: -2.7486387675432984
Energy: -2.868943751190555
Energy: -2.874877900235812
Energy: -2.5337023652123403
Energy: -2.8748779002866907
Energy: -2.769737894332641
Energy: -3.226497275920357
Energy: -3.192990825765276
Energy: -3.2264972758788226
Energy: -2.900929914811882
Energy: -3.294620663760074
Energy: -3.6657771583175727
Energy: -3.2946206637590354
Energy: -3.0563067132536803
Energy: -3.028087203294042
Energy: -3.066731301691289
Energy: -3.0280872032400477

minimum gb energy = -3.823806020338766 eV
minimum distance =  2.34136500908654 Angstroms
sigma value = 89


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

Energy: -1.6879352924859303
Energy: -1.878928488009793
Energy: -1.1543437920724313
Energy: -1.8850777271791013
Energy: -2.048517744702105
Energy: -1.9262642975231907
Energy: -1.96899050275755
Energy: -1.9013835680995816
Energy: -1.876736281372734
Energy: -2.0088802345049817
Energy: -2.0259535913288733
Energy: -1.9758775522702074
Energy: -2.2435011328824808
Energy: -1.9416619551963
Energy: -1.2376235486571248
Energy: -1.8930886070698054
Energy: -1.6372045792387804
Energy: -1.9213831789355922
Energy: -1.187301644335882
Energy: -1.9213826327152792
Energy: -2.0457211959987984
Energy: -1.228818277712658
Energy: -1.2574436734935763
Energy: -1.2647753169293774
Energy: -1.9909649309713848
Energy: -1.9714194672270025
Energy: -1.2453090588224334
Energy: -1.966245893185835
Energy: -1.9412498732189787
Energy: -1.9581289217570217
Energy: -1.1578133588481876
Energy: -1.934970130666604
Energy: -2.170818205477789
Energy: -1.9326777506873636
Energy: -2.0073486912442355
Energy: -1.9325004903816627
Energy: -1.984573978052482
Energy: -1.9694462643834518
Energy: -1.991738537396557
Energy: -1.9936531344525033
Energy: -2.628455653009892
Energy: -1.9857496485767254
Energy: -1.2115805369422272
Energy: -1.9774988192322434
Energy: -2.6410923895399923
Energy: -1.9895188773668304
Energy: -1.1498665107748305
Energy: -1.9987570044376792
Energy: -1.8676320401490831
Energy: -1.9452255176275661
Energy: -1.9886665102889958
Energy: -1.9452252941858228
Energy: -1.7916342510689593
Energy: -1.9075240796459598
Energy: -1.995371400886592
Energy: -1.9075227147233265
Energy: -1.951830692381038
Energy: -1.9284956878604809
Energy: -1.1460366911127857
Energy: -1.9284955950841203

minimum gb energy = -2.6410923895399923 eV
minimum distance =  2.35943759670397 Angstroms
sigma value = 13


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

Energy: -2.7268424526427344
Energy: -2.6925507874518795
Energy: -3.376878095294579
Energy: -2.692550787199184
Energy: -2.5410351958799127
Energy: -2.282525288833942
Energy: -2.343771107038744
Energy: -2.282525288796364
Energy: -3.363360802420732
Energy: -4.537312599092913
Energy: -4.466189101984629
Energy: -4.537312599291001
Energy: -1.8999484359786118
Energy: -2.5460989422187557
Energy: -2.5470766390448745
Energy: -2.5460989411385624
Energy: -2.3323589667576474
Energy: -3.3306481003023225
Energy: -1.708588638517532
Energy: -3.3306481003421267
Energy: -2.638663812224541
Energy: -1.679776902438328
Energy: -2.525613819250481
Energy: -1.6797769024633802
Energy: -2.333747938744924
Energy: -4.518423070289513
Energy: -2.4297839751289314
Energy: -4.518423070298623
Energy: -2.1974673645719673
Energy: -2.2591525181449126
Energy: -2.1350598992024685
Energy: -2.2591525178648877
Energy: -2.070860784597716
Energy: -3.335915721122581
Energy: -2.783446216603283
Energy: -3.3359157210975288
Energy: -2.5188067288543876
Energy: -2.376501201060453
Energy: -3.4724571722423145
Energy: -2.3765012132223933
Energy: -2.806590162683533
Energy: -4.597706725036455
Energy: -1.6730354656569641
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Energy: -4.089439126589543
Energy: -2.3169191085367764
Energy: -2.0847555645992233
Energy: -2.316919108537915
Energy: -1.3535855780643324
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Energy: -4.529420074367303
Energy: -2.0308640931161803
Energy: -2.511589947564117
Energy: -2.4766130671287128
Energy: -2.5007819624176575
Energy: -2.4766130676909883
Energy: -3.0112548789347797
Energy: -4.5364892165241875
Energy: -1.2132971857003698
Energy: -4.536489216633453
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Energy: -1.6794354688479363
Energy: -4.46089451718134
Energy: -1.396510453627034
Energy: -3.224538571540435
Energy: -1.975261855062822
Energy: -3.2245385715222152
Energy: -3.072231516779699
Energy: -3.242671071425166
Energy: -2.8274071727371455
Energy: -3.24267107143997
Energy: -2.4367302501214527
Energy: -4.462499153018439
Energy: -2.01083991524428
Energy: -4.462499152748714
Energy: -2.015142418838035
Energy: -4.506318044239334
Energy: -2.3765399888719556
Energy: -4.506318046425859
Energy: -2.7711135721264264
Energy: -3.2397891204943563
Energy: -3.0656973386007924
Energy: -3.239789120474998
Energy: -2.070619300404886
Energy: -3.2326936448230987
Energy: -1.3961552532685246
Energy: -3.23269364478666
Energy: -1.6794353778192799
Energy: -4.671957126715244
Energy: -4.039668212030692
Energy: -4.671957119076615
Energy: -1.2132971857140347
Energy: -4.556966072165535
Energy: -2.967782106039962
Energy: -4.556966072180337
Energy: -2.474976201631677
Energy: -2.072666199364267
Energy: -2.60460220600027
Energy: -2.0726661993665445
Energy: -4.479839540527594
Energy: -1.9420376609624443
Energy: -1.3535855780392803
Energy: -1.942037660963583
Energy: -2.049175796308053
Energy: -2.316620432931101
Energy: -4.036913617577811
Energy: -2.316620432935604
Energy: -1.6730354656603803
Energy: -4.630920905668955
Energy: -2.8249317408857584
Energy: -4.630921653085722
Energy: -3.4920420920220265
Energy: -2.360200559033576
Energy: -2.4956879472961235
Energy: -2.3602005590221884
Energy: -2.645809711010607
Energy: -3.3499088031152207
Energy: -2.1391642031790457
Energy: -3.349908803198297
Energy: -2.1288922767498697
Energy: -2.513736249124785
Energy: -2.178799027370638
Energy: -2.5137362376708263
Energy: -2.454652311998273
Energy: -3.8602657108489042
Energy: -2.332798424847751
Energy: -3.8602657108511815
Energy: -2.5296886053309096
Energy: -1.6797182636966286
Energy: -2.5238664707815395
Energy: -1.6797182636886574
Energy: -1.7051287509973647
Energy: -3.426639247226915
Energy: -1.9177670871430172
Energy: -3.426639519735908
Energy: -2.5421541647446344
Energy: -2.6764423398377613
Energy: -1.9695376269386375
Energy: -2.6765110801712395

minimum gb energy = -4.671957126715244 eV
minimum distance =  2.36830605551056 Angstroms
sigma value = 37


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

Energy: -1.8611638689664503
Energy: -2.390452025842223
Energy: -0.6246942254401112
Energy: -2.3904521664394656
Energy: -1.6578162110934471
Energy: -1.32310135900035
Energy: -1.2421544088740135
Energy: -1.323101359007207
Energy: -1.0536289053623993
Energy: -1.6193086658322482
Energy: -2.0977458661759427
Energy: -1.6193078937038936
Energy: -1.755919662737512
Energy: -1.3510923073443888
Energy: -1.3238977061648727
Energy: -1.351071686657822
Energy: -1.7183780912680384
Energy: -1.5811772483682054
Energy: -1.1215494409486955
Energy: -1.5811769358470502
Energy: -2.0179608160590456
Energy: -1.5807065132655667
Energy: -1.69998996805223
Energy: -1.5807159910484
Energy: -1.525348106742032
Energy: -1.1526079936310105
Energy: -1.7974494021410279
Energy: -1.1526079923626371
Energy: -1.515640208128292
Energy: -0.5268489565120121
Energy: -1.6297474590171255
Energy: -0.5268489569629956
Energy: -1.4348563271494479
Energy: -1.7504119652825698
Energy: -1.7285340594828686
Energy: -1.750265007238596
Energy: -1.3030598617588807
Energy: -1.6094302771155296
Energy: -1.6644896681199512
Energy: -1.5676405974576733
Energy: -1.121855211165448
Energy: -1.3357289602827525
Energy: -0.5813563815441717
Energy: -1.3357289487982007
Energy: -1.7599357028886604
Energy: -1.7540622490150264
Energy: -1.6237424340708444
Energy: -1.7170233663606598
Energy: -0.8786987370468533
Energy: -1.7054756926766084
Energy: -1.318370341451044
Energy: -1.7006876693802557
Energy: -1.4793279439379339
Energy: -1.2660208634066752
Energy: -1.335799940393877
Energy: -1.2660208633471435
Energy: -1.8614379686774025
Energy: -2.1500594675371043
Energy: -0.7504770335076538
Energy: -2.150044032883768
Energy: -1.9097107927207004
Energy: -1.515465556497682
Energy: -1.5077510807638765
Energy: -1.5154650006050618
Energy: -1.0216206834792905
Energy: -1.7639970901812914
Energy: -1.3554821119195177
Energy: -1.7639969695745727
Energy: -1.5114184120541687
Energy: -1.105443443096052
Energy: -1.2930989689653338
Energy: -1.1054434430895959
Energy: -1.7550501428646268
Energy: -1.3064750553293947
Energy: -0.7897138521340495
Energy: -1.3064750624669432
Energy: -1.6399341872402942
Energy: -1.9061007162311974
Energy: -1.326821951726718
Energy: -1.9149380154295188

minimum gb energy = -2.3904521664394656 eV
minimum distance =  2.37144830492558 Angstroms
sigma value = 25


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

Energy: -2.739739830498738
Energy: -2.393394829079341
Energy: -1.4332261976617164
Energy: -2.3933900488031696
Energy: -1.9844874355050464
Energy: -1.9014994432537355
Energy: -1.8485423325705044
Energy: -1.901522287913492
Energy: -0.776507444831136
Energy: -2.073652274594957
Energy: -2.710632500300738
Energy: -2.0736522741652457
Energy: -1.9593333929245458
Energy: -1.5354764456840349
Energy: -1.602208493638389
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Energy: -2.2464246919388513
Energy: -1.0660595234563546
Energy: -2.2464246920061295
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Energy: -1.7208942104660712
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Energy: -1.3305657241697797
Energy: -1.8469908297627469
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Energy: -1.7283596600775535
Energy: -1.6177748825559943
Energy: -1.728359660063785
Energy: -1.8392123931321833
Energy: -0.9377251193462474
Energy: -1.4582581941948287
Energy: -0.9377251193783741
Energy: -2.204954032582405
Energy: -1.2550115668576627
Energy: -1.851030809194694
Energy: -1.2550115668484836
Energy: -1.7991725435311645
Energy: -1.6532375854244368
Energy: -1.8350817522824827
Energy: -1.6532375621475224
Energy: -1.876345640199756
Energy: -1.573063672602691
Energy: -2.0631037136638466
Energy: -1.5730636734070398
Energy: -1.6894376863119955
Energy: -1.6442835912530358
Energy: -1.5610593197477827
Energy: -1.6442837203188776
Energy: -2.408369462417584
Energy: -1.885138951373159
Energy: -1.0579960731700606
Energy: -1.8851389513777483
Energy: -1.9121581673360182
Energy: -1.5067717705314185
Energy: -1.626674589991741
Energy: -1.5067717685282307
Energy: -0.5813289854803373
Energy: -2.2367193800506806
Energy: -2.1302968381654717
Energy: -2.236719379926798
Energy: -1.7266463986761458
Energy: -1.954935479916982
Energy: -2.3326249261700207
Energy: -1.954936699365433
Energy: -1.9636493620177364
Energy: -1.77810133993069
Energy: -1.0557092718026375
Energy: -1.7781015332167214
Energy: -2.4345002716734014
Energy: -1.9979478587759176
Energy: -2.090175196218493
Energy: -1.9979478587759176
Energy: -0.8655315456040437
Energy: -2.252386795124339
Energy: -2.1251431620196746
Energy: -2.252386795477558
Energy: -1.6153822837613048
Energy: -1.748812857337646
Energy: -2.1607133582690645
Energy: -1.748796898721568
Energy: -2.4794504448052392
Energy: -1.5674412043978336
Energy: -1.1860886774969548
Energy: -1.5674412048642268
Energy: -2.000410314362317
Energy: -1.8356639168037072
Energy: -2.0929087738493215
Energy: -1.8356639357469642
Energy: -2.2611793746083446
Energy: -1.458836897348064
Energy: -2.0248801691569587
Energy: -1.4588368975101573
Energy: -0.8398416031699892
Energy: -1.2979291183439847
Energy: -1.6216885217158907
Energy: -1.2979291188057882

minimum gb energy = -2.739739830498738 eV
minimum distance =  2.3368699330984 Angstroms
sigma value = 41


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

Energy: -2.2105559678404583
Energy: -2.2499172550241746
Energy: -0.4685067869801732
Energy: -2.2499172519000292
Energy: -1.7717402692713518
Energy: -1.7681567311298554
Energy: -2.435192411189846
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Energy: -2.7336094488847773
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Energy: -2.6133819003732177
Energy: -1.372942539073771
Energy: -2.6133819001137084
Energy: -1.8475648539652958
Energy: -1.6782062961627067
Energy: -1.920001918367793
Energy: -1.678206296175249
Energy: -1.196408524647249
Energy: -1.9071578926478692
Energy: -2.3832307170978204
Energy: -1.9071578926729533
Energy: -1.8474642104488888
Energy: -1.3096467680251846
Energy: -1.8882911009704995
Energy: -1.3096467678233126
Energy: -1.7575050997477442
Energy: -1.625728098598848
Energy: -1.3541026504727802
Energy: -1.6257280985975937
Energy: -1.8992284497005067
Energy: -1.2502007722459092
Energy: -1.767210243007927
Energy: -1.250200772232113
Energy: -1.7887997296871843
Energy: -1.6746001092577083
Energy: -2.1877319745300303
Energy: -1.674600108252281
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Energy: -1.3411713322756205
Energy: -2.283095556493948
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Energy: -1.5642951306374924
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Energy: -1.4724819663449784
Energy: -2.267353370506875
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Energy: -2.0076987542965474
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Energy: -2.00769875432414
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Energy: -2.0123824740474734
Energy: -2.2157678701701595
Energy: -2.012382474075009
Energy: -2.205165649613708
Energy: -1.4664373048128982
Energy: -1.9168206389928195
Energy: -1.46643730481039
Energy: -2.2887484639461224
Energy: -1.942433846261002
Energy: -1.2459412806953787
Energy: -1.9424338462472057
Energy: -1.9635655301451713
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Energy: -1.8557447309559436
Energy: -2.175537133986169
Energy: -1.2841628997546992
Energy: -2.54707131990288
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Energy: -1.995978011319161
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Energy: -2.4489982465733195
Energy: -2.4565797716281317
Energy: -2.330473633660099
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Energy: -2.2879053458181664
Energy: -2.5750774832583363
Energy: -2.224173767231819
Energy: -2.3567924298750227
Energy: -2.2241737674361426
Energy: -0.909566544540107
Energy: -2.4138851089119795
Energy: -2.7186609606345864
Energy: -2.413885108909471
Energy: -2.165071208329593
Energy: -2.117439809431856
Energy: -2.6119863605320366
Energy: -2.117439809431856
Energy: -1.9228820997083351
Energy: -3.4312208932914885
Energy: -1.6334230119791326
Energy: -3.431220864034781
Energy: -2.3211240341322834
Energy: -1.8237497567707446
Energy: -1.957150797295955
Energy: -1.8237497567481689
Energy: -1.4460654602986578
Energy: -1.5111369648497741
Energy: -2.5073495501331826
Energy: -1.5111369648271982
Energy: -1.8801131419725479
Energy: -1.809360779662662
Energy: -1.873309589788422
Energy: -1.80936077965012
Energy: -1.668794666900936
Energy: -2.030011599778395
Energy: -2.976217653538183
Energy: -2.0300115997821573
Energy: -2.239390084542161
Energy: -1.5622848911870488
Energy: -1.3535712872764478
Energy: -1.5622848911230838

minimum gb energy = -3.4312208932914885 eV
minimum distance =  2.33677815221068 Angstroms
sigma value = 15


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

Energy: -2.739060958969056
Energy: -2.5447211678535218
Energy: -0.976121100095867
Energy: -2.5447211678864106
Energy: -2.5516000305407056
Energy: -2.2407132404650363
Energy: -2.6976000625715586
Energy: -2.2407132404629113
Energy: -1.166038724329813
Energy: -2.2583852570155942
Energy: -3.266340031229816
Energy: -2.2583852569455174
Energy: -2.326554499652622
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Energy: -3.0111917807952415
Energy: -2.2151805705601597
Energy: -1.261134422784973
Energy: -2.2151805705675973
Energy: -2.2767544473016565
Energy: -2.260333710949833
Energy: -2.5058170333347762
Energy: -2.2603337109530197
Energy: -1.6742953795268973
Energy: -2.7405501460072528
Energy: -2.5167520886358177
Energy: -2.7405501457905994
Energy: -2.477641221087778
Energy: -1.7711997374625483
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Energy: -2.734405582975735
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Energy: -2.808594666529082
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Energy: -2.631631480472306
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Energy: -1.3069838904510456
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Energy: -2.3184004831231553
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Energy: -2.7370482910356766
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Energy: -3.186457237575444
Energy: -2.3241164456811387
Energy: -2.592760603397143
Energy: -2.76306786497133
Energy: -2.7499060024174717
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Energy: -1.580319985273124
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Energy: -2.6712176649716217
Energy: -2.81418675056203
Energy: -2.6712176649397947
Energy: -2.251403047750216
Energy: -2.220918770893965
Energy: -2.5832242068374103
Energy: -2.220918770893965
Energy: -2.4968113430447456
Energy: -2.4127254129968057
Energy: -1.804812990115638
Energy: -2.4127254301050294
Energy: -2.6316446700954894
Energy: -1.9360889588612857
Energy: -1.9443623596336486
Energy: -1.9360889588602235
Energy: -2.245321735022962
Energy: -1.6743234487335723
Energy: -2.702209163464208
Energy: -1.6743234487261345

minimum gb energy = -3.266340031229816 eV
minimum distance =  2.34323152563118 Angstroms
sigma value = 85


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

Energy: -2.1145510333863986
Energy: -1.547979313944456
Energy: -1.4179837001828843
Energy: -1.5479793139453772
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Energy: -1.4484150017471464
Energy: -1.3999536977999434
Energy: -1.6929959782104798
Energy: -1.1692297779069856
Energy: -0.6790604951417448
Energy: -1.1692297779088285
Energy: -1.3540279268952566
Energy: -1.0883027327541999
Energy: -1.2203792666405202
Energy: -1.0883027327910393
Energy: -0.982076640713715
Energy: -1.2009788613659496
Energy: -1.283687293257894
Energy: -1.2009788889841673
Energy: -0.8115027617540228
Energy: -1.0189426989499595
Energy: -1.18406406342313
Energy: -1.0189426989490382
Energy: -1.296093532489427
Energy: -1.1496778751426893
Energy: -1.193631649674309
Energy: -1.149677875163884

minimum gb energy = -2.1145510333863986 eV
minimum distance =  2.32372328050114 Angstroms
sigma value = 113


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

Energy: 0.01503514469831825
Energy: 0.01530665569525022
Energy: -4.417781397031798
Energy: 0.01530665569320371
Energy: -4.073457163555739
Energy: 0.13851855446757622
Energy: -4.0756924494358975
Energy: 0.13851855446828465
Energy: -4.417781397031798
Energy: 0.01530665569458117
Energy: 0.01503514469831825
Energy: 0.015306655693872762
Energy: -4.072956389760748
Energy: 0.13851855446899305
Energy: -4.075191660451274
Energy: 0.13851855446966208
Energy: 0.01503514469831825
Energy: 0.01530665569320371
Energy: -4.4177813970311295
Energy: 0.015306655693872762
Energy: -4.080270200879765
Energy: 0.13851855446690717
Energy: -4.076686430732135
Energy: 0.13851855446828465

minimum gb energy = -4.417781397031798 eV
minimum distance =  2.45611236184201 Angstroms
sigma value = 1