Model name: model_name=EAM_Dynamo_Marinica_2007_Fe__MO_466808877130_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.700475549697878
cohesive_energy=4.000384142553119
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: 0.014750531593325398
Energy: 0.015741466265796943
Energy: 0.8313636778052164
Energy: 0.01574146626523162
Energy: 0.015741466265796943
Energy: 1.3092840874689708
Energy: 0.015741466265796943
Energy: 1.3092840874689708
Energy: 0.8305549748941394
Energy: 0.015741466265796943
Energy: 0.014750531593325398
Energy: 0.015741466265796943
Energy: 0.015741466265796943
Energy: 1.3092840874689708
Energy: 0.015741466265796943
Energy: 1.3092840874689708

minimum gb energy = 0.014750531593325398 eV
minimum distance =  2.47994561337073 Angstroms
sigma value = 1


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

Energy: -3.084907436991198
Energy: -2.9371553359354223
Energy: -2.2494813253989987
Energy: -2.9371924819764077
Energy: -2.949865396116849
Energy: -2.6195065218476814
Energy: -2.80010076509278
Energy: -2.6308478599232843
Energy: -2.3763836184784135
Energy: -2.5111247068343836
Energy: -2.9131628888400973
Energy: -2.542431502398808
Energy: -2.7030238724325697
Energy: -2.8693350392759767
Energy: -3.0203490174481935
Energy: -2.924899458739014
Energy: -2.7642274922039896
Energy: -2.841825800631681
Energy: -2.9949577542158727
Energy: -2.973134092836642
Energy: -2.804154927349594
Energy: -2.402114194512479
Energy: -2.5869869542714987
Energy: -2.3841424724368077
Energy: -2.78383679682114
Energy: -2.4779107416726354
Energy: -2.7897654170253046
Energy: -2.4334909600455426
Energy: -2.494400373543856
Energy: -2.790629551281583
Energy: -2.232147689409969
Energy: -2.8701227339134445
Energy: -2.9208144629314297
Energy: -2.5022776745496547
Energy: -3.0279263234976797
Energy: -2.628878493569348
Energy: -2.6059670928637115
Energy: -2.707708873002465
Energy: -2.1964541489806733
Energy: -2.7071782597143326
Energy: -2.734513171894258
Energy: -2.747645139312202
Energy: -2.9898998068750013
Energy: -2.7472418942050636
Energy: -2.625328107319374
Energy: -2.8199230607918366
Energy: -2.870593550557702
Energy: -2.8373945138698957
Energy: -2.6824598076674238
Energy: -2.483857789718101
Energy: -3.1251673916895326
Energy: -2.5499568294059354
Energy: -3.074837860080549
Energy: -2.631364389647868
Energy: -2.830200095064776
Energy: -2.7716041852119924
Energy: -2.7797971939257784
Energy: -2.7678752269832283
Energy: -2.751226454935022
Energy: -2.8576619242614085
Energy: -2.810527499656844
Energy: -2.876439214396555
Energy: -2.92229601513913
Energy: -2.737170965130159
Energy: -3.1354050569450003
Energy: -2.654630547809247
Energy: -2.415453807282932
Energy: -2.6084238921505873
Energy: -2.889098630472332
Energy: -2.878101610830195
Energy: -2.7867144487177087
Energy: -2.595075760321786
Energy: -2.8049403625946443
Energy: -2.963290971408483
Energy: -2.9573564989761034
Energy: -2.99796709167164
Energy: -2.9533625442668625
Energy: -2.9554734955759145
Energy: -3.0883812800646404
Energy: -2.918960194386737
Energy: -2.7836541868489144
Energy: -2.536113477355542
Energy: -2.544692792385444
Energy: -2.5901501424021616
Energy: -3.02621994129311
Energy: -2.79986915020164
Energy: -2.7130363225821332
Energy: -2.6847828093449206
Energy: -2.728619007619232
Energy: -2.9467583739189247
Energy: -2.6884942152275397
Energy: -2.797890398922776
Energy: -2.7092409760227927
Energy: -2.4779691043714305
Energy: -3.079372140469387
Energy: -2.510243261971183
Energy: -2.996170587412137
Energy: -2.2154583978260294
Energy: -3.0083878126892025
Energy: -2.2964259311570276
Energy: -2.5333675447994604
Energy: -2.83145668178267
Energy: -2.670960765407471
Energy: -2.7450570741400053
Energy: -2.727268348382271
Energy: -2.266030611458178
Energy: -2.863965130337095
Energy: -2.266031931555626
Energy: -2.2031307372793827
Energy: -2.540915885091301
Energy: -3.129068846604925
Energy: -2.542327881429923
Energy: -3.095943763336008
Energy: -2.7680169232549447
Energy: -2.6252037613951975
Energy: -2.740787682262829
Energy: -3.2065508349574112
Energy: -2.8769849771390548
Energy: -2.451662856750717
Energy: -2.85287750930447
Energy: -3.0281346959131357
Energy: -2.7022727996695384
Energy: -2.7533714889575647
Energy: -2.6984440616626886
Energy: -2.7148787342234617
Energy: -2.507252880293416
Energy: -2.810646517455868
Energy: -2.5871084190985685
Energy: -2.7843837736369412
Energy: -2.8772319034062392
Energy: -2.8686434248179045
Energy: -2.8772338225353993

minimum gb energy = -3.2065508349574112 eV
minimum distance =  2.21703373157999 Angstroms
sigma value = 1


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

Energy: -2.511090611690346
Energy: -2.2796979609164367
Energy: -1.8937780178361245
Energy: -2.28675185393001
Energy: -2.1571079316623405
Energy: -2.1100706459283303
Energy: -2.0402196118313713
Energy: -2.110497963881923
Energy: -1.7909511683988533
Energy: -2.239086158081357
Energy: -2.1670035895319693
Energy: -2.3141972565219886
Energy: -2.0891981895425054
Energy: -2.066160217963256
Energy: -2.2177724068968865
Energy: -2.1365165638812824
Energy: -2.210006680430218
Energy: -2.069965844385505
Energy: -1.9928116467282218
Energy: -1.9917930797581385
Energy: -2.3197999097778967
Energy: -2.085325333062075
Energy: -2.1815571499772664
Energy: -2.038281939865141
Energy: -2.2298247714706245
Energy: -2.3054379536256495
Energy: -2.083225764269436
Energy: -2.3843929761481606
Energy: -1.7150000503486806
Energy: -2.230484042884447
Energy: -1.8120826786021156
Energy: -2.218890477639301
Energy: -2.1180789647552354
Energy: -2.229003463605392
Energy: -1.9704905623572138
Energy: -2.1483859615947822
Energy: -2.0525615911223527
Energy: -2.2420341042427863
Energy: -1.3422636838259818
Energy: -2.241932096029235
Energy: -2.3032303572831503
Energy: -2.0805145806955196
Energy: -2.2601655703835473
Energy: -2.0114079997032084
Energy: -1.998690375082762
Energy: -2.033271095868346
Energy: -2.2969550640682797
Energy: -2.0948735954531705
Energy: -2.3596005998656056
Energy: -1.9654482191488893
Energy: -2.059702187168944
Energy: -1.863055399511399
Energy: -2.3654504344054956
Energy: -1.8556255309787437
Energy: -2.4752453885445576
Energy: -1.8871077159351177
Energy: -1.9208151092921173
Energy: -1.9986785574459374
Energy: -2.2063570512415147
Energy: -1.9986780046316404
Energy: -2.1396616263250707
Energy: -2.090236328426013
Energy: -2.0388109670194234
Energy: -2.036255170416846
Energy: -2.089454170437341
Energy: -2.176919153856885
Energy: -1.5644188291136387
Energy: -2.350564623208448
Energy: -2.0736191107147732
Energy: -2.218503189063047
Energy: -1.9845816311878093
Energy: -2.1278435541137037
Energy: -1.6681469469911234
Energy: -2.2658084921412653
Energy: -1.8360589373642509
Energy: -2.181653935393119
Energy: -2.2280690309932805
Energy: -2.1804137539073127
Energy: -2.2406299900507545
Energy: -2.273202040565897
Energy: -2.4571798961782347
Energy: -1.952132211463169
Energy: -2.0669238171291684
Energy: -1.952915773786331
Energy: -2.325188804858597
Energy: -1.8560427066190879
Energy: -2.1077975726970273
Energy: -1.8738986037133891
Energy: -2.104605912792397
Energy: -2.112344840069678
Energy: -2.186916497254508
Energy: -2.107501998095366
Energy: -1.6541958831795125
Energy: -2.268738833611832
Energy: -2.067278855824956
Energy: -2.2680041032745737
Energy: -2.3636400555434554
Energy: -2.213285815252502
Energy: -2.035373813115134
Energy: -2.1559393557336906
Energy: -2.4780324897728825
Energy: -2.225914070555963
Energy: -1.7951657636872607
Energy: -2.3700377793425744
Energy: -2.1220146613280684
Energy: -2.1241892415406496
Energy: -1.9878195940822103
Energy: -2.2859176905936205
Energy: -1.6527553004913846
Energy: -2.157767885317043
Energy: -2.180708097030637
Energy: -2.2286483293022163
Energy: -2.4213026825133173
Energy: -2.1238631200975537
Energy: -2.2431236451905
Energy: -2.0672440632441678

minimum gb energy = -2.511090611690346 eV
minimum distance =  2.2255828518756 Angstroms
sigma value = 25


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

Energy: -1.9222814519857085
Energy: -1.4731292716441413
Energy: -1.437851206671883
Energy: -1.4381623848735348
Energy: -1.7676157766282397
Energy: -1.2862074392250764
Energy: -1.8570680164623938
Energy: -1.3055190228130373
Energy: -1.258043869923233
Energy: -1.6478463654436954
Energy: -1.639341954714495
Energy: -1.7640050765699378
Energy: -1.2785670550351118
Energy: -1.4954260737302119
Energy: -1.6377193180319096
Energy: -1.4510880115922569
Energy: -1.4266595435475165
Energy: -1.4459169106430083
Energy: -1.6412855555412942
Energy: -1.3892526708924835
Energy: -1.720361883167976
Energy: -1.685040355102229
Energy: -1.6573577142110822
Energy: -1.6331087612842514
Energy: -1.624287855231349
Energy: -1.544217270284347
Energy: -1.7599980500438117
Energy: -1.3424783305681722
Energy: -1.5820114497587372
Energy: -1.3243066041041784
Energy: -1.6435333211782377
Energy: -1.3005089197898618
Energy: -1.7890330774264838
Energy: -1.4669206100096568
Energy: -1.5958816788509034
Energy: -1.4317253992170742
Energy: -1.5780790070318902
Energy: -1.622994651220564
Energy: -1.5370789884478315
Energy: -1.6456862492744273
Energy: -1.4839620833566372
Energy: -1.3542390575738765
Energy: -1.5247077304770864
Energy: -1.272937451563302
Energy: -1.5174746528317142
Energy: -1.4006111039616156
Energy: -1.248298687527874
Energy: -1.3836736823526508
Energy: -1.629568316742436
Energy: -1.5229934388131028
Energy: -1.2926625216266865
Energy: -1.6383623312217495
Energy: -1.7955321718742256
Energy: -1.471130006443358
Energy: -1.544158860879658
Energy: -1.3429784124573114
Energy: -1.0895036728427923
Energy: -1.3637435440319652
Energy: -1.5259497298678697
Energy: -1.2963875885231937
Energy: -1.64691722749373
Energy: -1.4739297924846957
Energy: -1.5204346791841068
Energy: -1.51074076072124
Energy: -1.2633795239966372
Energy: -1.667753413321324
Energy: -1.189581036812947
Energy: -1.6703912529520375
Energy: -1.4972149276165374
Energy: -1.2708890255240488
Energy: -1.350612881025125
Energy: -1.4547500361169023
Energy: -1.5013113612458076
Energy: -1.3143289786729078
Energy: -1.3793877824884617
Energy: -1.3370072188150808
Energy: -1.4832645118202037
Energy: -1.622041814716794
Energy: -1.730637041638819
Energy: -1.6063777615494856
Energy: -1.7949576774701246
Energy: -1.2758533323972046
Energy: -1.7571633609710362
Energy: -1.3024193190692825
Energy: -1.8335578836448447
Energy: -1.3897820315518805
Energy: -1.7092740103070583
Energy: -1.402787286251277
Energy: -1.5682072582514672
Energy: -1.5978017161327767
Energy: -2.054334135675138
Energy: -1.379314975926224
Energy: -1.2522714082390662
Energy: -1.7144261559878127
Energy: -1.7461852211445767
Energy: -1.745681768229036
Energy: -1.510958772184504
Energy: -1.665445449094552
Energy: -1.4815683093355836
Energy: -1.5990199348730494

minimum gb energy = -2.054334135675138 eV
minimum distance =  2.1826678618009 Angstroms
sigma value = 9


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

Energy: -0.8086235366217378
Energy: -0.8219998947628577
Energy: -0.7082402552840317
Energy: -0.6620087626021667
Energy: -1.063669653340247
Energy: -0.6131735687364734
Energy: -0.865555524923059
Energy: -0.6096468279275097
Energy: -0.6298831264315015
Energy: -0.9463800138125933
Energy: -0.6277237536384292
Energy: -0.7577551078215004
Energy: -1.0486527209429244
Energy: -0.8405037060090701
Energy: 0.9145864044617198
Energy: -0.9252805540787022
Energy: -1.074052756886034
Energy: -0.566203620012878
Energy: -0.8874693348952344
Energy: -0.6418590744022605
Energy: 0.8010048211402032
Energy: -0.5503373352727555
Energy: -0.8650346438507369
Energy: -0.686673655499981
Energy: -0.6245184854611555
Energy: -0.4552184776899275
Energy: 0.9141150362860927
Energy: -0.3239503658078676
Energy: -0.5138888563370225
Energy: -0.5573716322623975
Energy: 0.9144271545387227
Energy: -0.5776213386897417
Energy: -1.027469170039672
Energy: -0.6858233802029629
Energy: -0.636423121092871
Energy: -0.7512104973713946
Energy: -0.8983253027267663
Energy: -0.6273480268707693
Energy: -0.8823863188301316
Energy: -0.6178347134322671
Energy: -0.7499634834608789
Energy: -0.6713583692110349
Energy: -0.5197214794799606
Energy: -0.43413578814805925
Energy: -1.0437531887186342
Energy: -0.7077553119292408
Energy: 0.9105968885123248
Energy: -0.706970062778869
Energy: -0.6562861197169514
Energy: -0.8361428997094776
Energy: -0.6021837843057618
Energy: -0.6384986491071065
Energy: 1.0519780414638138
Energy: -0.785735917818342
Energy: -0.6545841105131056
Energy: -0.8684998768344049
Energy: -0.5074171164896306
Energy: -0.5854507171845722
Energy: 0.5370899886265675
Energy: -0.5760589746861525
Energy: -1.0068961445696398
Energy: -0.8499869751021611
Energy: 0.9069527259901963
Energy: -0.7147967377474128
Energy: -0.7892827786403481
Energy: -0.5614805439275108
Energy: -0.7606760063593583
Energy: -0.5467377604379162
Energy: -0.943149168221443
Energy: -0.5979208556323413
Energy: -0.9407564261363539
Energy: -0.7143982360714473
Energy: -1.0161262062337741
Energy: -0.5601899431051968
Energy: -0.9208999617880939
Energy: -0.6201053254411949
Energy: -0.6224618269617318
Energy: -0.5938225672470931
Energy: 0.9145991878593813
Energy: -0.7962047614140806
Energy: -0.7960353065082453
Energy: -0.33194099809221345
Energy: 0.9131769655542487
Energy: -0.3502353192353819

minimum gb energy = -1.074052756886034 eV
minimum distance =  2.20140119759621 Angstroms
sigma value = 25


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

Energy: 1.0784050652563726
Energy: 1.2548041143840807
Energy: 0.7822314457032656
Energy: 1.2548041144011146
Energy: 1.0296141836954789
Energy: -0.1932493112695028
Energy: -0.20877058409650068
Energy: -0.4074380832468509
Energy: -0.08341611257500256
Energy: -0.5529677010623734
Energy: 0.9645995246245521
Energy: -0.5231385934051084
Energy: 1.0775216921229038
Energy: -0.012411290266446136
Energy: -0.4427597076217583
Energy: 0.08154055934891911
Energy: 0.878977566821861
Energy: 1.0264212992718227
Energy: -0.20811417311731403
Energy: 1.0264212992760813
Energy: 0.9123844910489057
Energy: -0.4383804201139565
Energy: 0.9701730580925917
Energy: -0.46354270347576654
Energy: -0.5265506063540447
Energy: 1.119904140924529
Energy: -0.20291672021835302
Energy: 1.1199041489099122
Energy: -0.42929135320856293
Energy: 1.2666365640003163
Energy: 1.0776694349099696
Energy: 1.2666365640358035
Energy: 0.9646114546932679
Energy: 1.1647504420954546
Energy: 1.023660303858949
Energy: 1.1647684574560493
Energy: 1.011408231043485
Energy: -0.48403945326999775
Energy: 0.9673608055078248
Energy: -0.3927344811178452
Energy: -0.11101694142519024
Energy: 1.2567985535881614
Energy: 0.7827778709237754
Energy: 1.2567985535739663
Energy: -0.26185663430059253
Energy: 1.086396314373831
Energy: 1.013260982480853
Energy: 1.0863963147512241
Energy: 0.797429551214252
Energy: -0.22536540783957792
Energy: -0.1281876130831673
Energy: -0.2570047946520478
Energy: -0.38272253970342063
Energy: -0.06509451968994236
Energy: 1.0131062354526854
Energy: -0.14853048468980518
Energy: 0.05824991984369792
Energy: 1.260061906100359
Energy: -0.28179443594675924
Energy: 1.2600619060847766
Energy: 1.0236923953094452
Energy: -0.3815088291891089
Energy: -0.14823224146205283
Energy: -0.27655157545925724
Energy: 0.9806977372674734
Energy: 1.008374343234392
Energy: 1.0087857100148387
Energy: 1.0083728579910962

minimum gb energy = -0.5529677010623734 eV
minimum distance =  2.25115448677676 Angstroms
sigma value = 17


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

Energy: 1.0057834654049629
Energy: 1.2992481019168327
Energy: 0.6593924762433865
Energy: 1.2992481019192446
Energy: 0.9098890643756924
Energy: 1.0456405362913566
Energy: 1.0195821667653198
Energy: 1.0456406068101953
Energy: 0.7875742614268367
Energy: 1.2441448293189936
Energy: 1.022646804071614
Energy: 1.2441448293222095
Energy: 1.02027833528603
Energy: 1.1076373325731184
Energy: 0.825586804055952
Energy: 1.1076373225910543
Energy: 1.0177485988088453
Energy: 1.1410081742577312
Energy: 0.9357437792157416
Energy: 1.1410081746201597
Energy: 1.049072008932195
Energy: 1.2125020769843133
Energy: 0.6573806689438033
Energy: 1.2125020769835093
Energy: 1.0226725172578708
Energy: 1.108311700534065
Energy: 0.9657797306305299
Energy: 1.1083117005694383
Energy: 0.7533722121837296
Energy: 1.281493905894008
Energy: 1.0701055358618063
Energy: 1.2814939058875765
Energy: 1.0506318155337393
Energy: 1.166378990874152
Energy: 0.8677169337619741
Energy: 1.1663797793911375
Energy: 0.8937933361042176
Energy: 1.23779288335197
Energy: 1.0226033803893284
Energy: 1.2377928833214207
Energy: 1.0228426669000912
Energy: 1.2235274048669191
Energy: 0.8782449047789412
Energy: 1.2235268750748745
Energy: 1.0063915603710474
Energy: 1.0978360757665004
Energy: 1.0027151744314269
Energy: 1.0978360762502504
Energy: 0.9520899185868937
Energy: 1.2523652309320104
Energy: 1.0124938728475468
Energy: 1.2523652309343856
Energy: 1.0220011881194098
Energy: 1.2884675329862179
Energy: 0.927334504223609
Energy: 1.2884675329854138
Energy: 0.9358423253833803
Energy: 1.1740895786456174
Energy: 1.0646805465490425
Energy: 1.1740895813367909
Energy: 0.8942241939391993
Energy: 1.1286509991747093
Energy: 0.7468119460096538
Energy: 1.1286255913916736
Energy: 0.9678154298323519
Energy: 1.0141631914202156
Energy: 0.889736112231862
Energy: 1.0141631017979351
Energy: 0.7807237668683558
Energy: 1.2547335341781949
Energy: 1.0480105704714247
Energy: 1.254733534177391
Energy: 0.9025800337904849
Energy: 1.141000497067099
Energy: 1.0532937229766213
Energy: 1.1410008762983033
Energy: 0.915183339956395
Energy: 1.1079632159561754
Energy: 1.02018748094887
Energy: 1.1079628334560236
Energy: 0.8636013473693911
Energy: 1.2400397973381334
Energy: 0.7961139439297686
Energy: 1.240039797099438
Energy: 0.9959235683785836
Energy: 0.8797470819122414
Energy: 0.8063767777583438
Energy: 0.8595900831638161
Energy: 0.9715438532227324
Energy: 1.1202469655390035
Energy: 1.0219582330519499
Energy: 1.1202470182786644
Energy: 0.9691258365301665
Energy: 1.100205052051292
Energy: 0.7847676031573092
Energy: 1.1002050188683101
Energy: 0.9549758374121773
Energy: 1.1818669638273058
Energy: 0.8140815884291464
Energy: 1.1818669665698949
Energy: 0.73278813725156
Energy: 1.2750384702331055
Energy: 1.0218416962887455
Energy: 1.2750384702652628
Energy: 0.992627541470044
Energy: 1.0324818950762862
Energy: 1.0038839306718186
Energy: 1.03248334497054
Energy: 0.6852164835560813
Energy: 1.2413514239757337
Energy: 0.8886314688350992
Energy: 1.2413514239797536
Energy: 0.8230766370946649
Energy: 1.1779308098166599
Energy: 1.0248701075723967
Energy: 1.1779308098737027
Energy: 1.0694951441060916
Energy: 1.2281330675405842
Energy: 0.9123482233661068
Energy: 1.2281330675389763

minimum gb energy = 0.6573806689438033 eV
minimum distance =  2.25109126988225 Angstroms
sigma value = 53


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

Energy: 1.1254130502511535
Energy: 1.1615049991945552
Energy: 1.0005886955961938
Energy: 1.1615049991927042
Energy: 1.1160678536684252
Energy: 1.1131829837397713
Energy: 0.903814678879539
Energy: 1.1131829837379206
Energy: 1.125278940582837
Energy: 1.0568437180219878
Energy: 1.1355734876701602
Energy: 1.0568418354876326
Energy: 1.1252809831567723
Energy: 1.0632891191724405
Energy: 0.939470049653177
Energy: 1.0632869725040144
Energy: 1.1151253104468646
Energy: 1.1200873683108596
Energy: 0.8337625055260852
Energy: 1.1200873685513792
Energy: 1.1254130502511535
Energy: 1.1615049991871518
Energy: 1.0005886945324474
Energy: 1.1615049991927042
Energy: 1.1160678575127014
Energy: 1.1131829837453238
Energy: 0.9991255306891418
Energy: 1.1131829837360698
Energy: 1.125278940582837
Energy: 1.056845247800918
Energy: 1.1355735028029599
Energy: 1.0568440428593404
Energy: 1.1252809831567723
Energy: 1.0632904153011675
Energy: 1.0363144821496304
Energy: 1.0632895231851354
Energy: 1.1151253103636207
Energy: 1.1200873686845525
Energy: 1.001587949976603
Energy: 1.1200873686235184
Energy: 1.1254130502511535
Energy: 1.161504999133521
Energy: 1.00058869543896
Energy: 1.1615049991871518
Energy: 1.1160678564804187
Energy: 1.1131829837379206
Energy: 0.9991446495681681
Energy: 1.1131829837083078
Energy: 1.125278940582837
Energy: 1.0568443919074064
Energy: 1.1355735110020806
Energy: 1.0568434484655829

minimum gb energy = 0.8337625055260852 eV
minimum distance =  2.25792937497503 Angstroms
sigma value = 9


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

Energy: 1.1966024039761545
Energy: 1.2720549477141874
Energy: 0.860991534147647
Energy: 1.2720549477148726
Energy: 0.9703173534020878
Energy: 1.0262072563668325
Energy: 1.0683219790794527
Energy: 1.0262072556382922
Energy: 1.0009598698879387
Energy: 1.221630118692304
Energy: 0.9914192936326062
Energy: 1.2216301272806005
Energy: 0.8586257097086493
Energy: 1.0920087537415284
Energy: 1.0346653104975811
Energy: 1.0920087532471372
Energy: 0.8826172506607155
Energy: 1.1607613311084337
Energy: 0.9652425088009586
Energy: 1.1607628270050276
Energy: 1.1676302807873347
Energy: 1.1109091410966483
Energy: 0.8120582674734795
Energy: 1.1109091827713589
Energy: 0.9273177935468194
Energy: 1.2667460623589728
Energy: 1.0678147427904467
Energy: 1.2667460623644526
Energy: 1.0380674446236322
Energy: 1.2273268451150139
Energy: 0.8427970033803522
Energy: 1.2273268523811143
Energy: 1.0113044080245197
Energy: 1.1137767629720592
Energy: 1.169545918569915
Energy: 1.1137767637608806
Energy: 0.993025646184581
Energy: 1.1199747023823814
Energy: 1.0976277237047594
Energy: 1.1199747023201074
Energy: 1.0390829131278814
Energy: 1.3043311479560633
Energy: 0.8314948439170543
Energy: 1.3043311479430482
Energy: 0.910694952555519
Energy: 1.2710451859377117
Energy: 1.0039748201612306
Energy: 1.2710451856076606
Energy: 1.0038811992892767
Energy: 1.2829895606437827
Energy: 0.8896378860492259
Energy: 1.2829895607294093
Energy: 0.8552010907622296
Energy: 1.313978866525239
Energy: 1.1955759499634575
Energy: 1.313978866545789
Energy: 1.0478519161743363
Energy: 1.2003441884824615
Energy: 0.879314332229719
Energy: 1.2003441885043817
Energy: 0.9989329388025399
Energy: 1.1137347200239125
Energy: 0.8233203011607497
Energy: 1.113748282877218
Energy: 0.9486182635362989
Energy: 1.1809807035959416
Energy: 1.0153398965359426
Energy: 1.1809807040917029
Energy: 1.0482206715988347
Energy: 1.113020939260547
Energy: 0.8772725845155459
Energy: 1.1130731595793095
Energy: 0.9002184178566424
Energy: 1.222954156991765
Energy: 1.1679064730602897
Energy: 1.222954156991765
Energy: 1.0156456744736126
Energy: 1.1474704883913713
Energy: 0.9933534560461065
Energy: 1.14747048844748
Energy: 0.8466599358287826
Energy: 1.273498335298683
Energy: 0.8556103178143772
Energy: 1.273498335301423
Energy: 0.9900679561432795
Energy: 1.0605227310720118
Energy: 1.0059911038190987
Energy: 1.0605227451852348
Energy: 0.9896729938577101
Energy: 1.209075207926085
Energy: 0.9932575707380431
Energy: 1.209075208887467
Energy: 0.8777282956867619
Energy: 1.2684934020740048
Energy: 1.0414545811207783
Energy: 1.2684934020561947
Energy: 1.0781772947890742
Energy: 0.9597391676314921
Energy: 0.9489590722984866
Energy: 0.9598572556240568
Energy: 0.8691810001607568
Energy: 1.1728017156430917
Energy: 1.0045807395456723
Energy: 1.1728017159971178
Energy: 0.9909601074990523
Energy: 1.1950603950354093
Energy: 0.8624651236512255
Energy: 1.1950603950340395
Energy: 1.1388241735062237
Energy: 1.1358574811623636
Energy: 0.8536878183975274
Energy: 1.1358574811589386
Energy: 0.9100389314769438
Energy: 1.2395454749615051
Energy: 0.995650718761525
Energy: 1.2395454749710952
Energy: 1.0693978208949049
Energy: 0.9518449683530216
Energy: 0.9605811083960321
Energy: 0.9518449879069149
Energy: 0.8589001723823608
Energy: 1.2666256460912422
Energy: 1.0377108598635496
Energy: 1.2666256454250377
Energy: 1.0008804293701294
Energy: 1.0195479061861836
Energy: 1.0011602574444913
Energy: 1.0195479077705525
Energy: 1.0430518993175253
Energy: 1.0798826660461929
Energy: 0.9965681124223432
Energy: 1.0798826662057384
Energy: 0.8498827015744534
Energy: 1.2558002417439669
Energy: 0.8576195985856186
Energy: 1.2558002412715583
Energy: 0.8888535030270589
Energy: 1.013223411132651
Energy: 0.9373841184010309
Energy: 1.0132234543821397

minimum gb energy = 0.8120582674734795 eV
minimum distance =  2.26150343047297 Angstroms
sigma value = 73


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

Energy: 1.2066742969245323
Energy: 1.2113723493028057
Energy: 0.6925564245623788
Energy: 1.2113723493028057
Energy: 1.1369995190190605
Energy: 1.2193953478291766
Energy: 1.1260942056465564
Energy: 1.2193955796820775
Energy: 1.0392780581349192
Energy: 1.2476330060272867
Energy: 1.0137791226095452
Energy: 1.2476327687589779
Energy: 0.9721497682557435
Energy: 1.2415959614135377
Energy: 1.0390299185549552
Energy: 1.2415959793816642
Energy: 0.9499933116481932
Energy: 1.202944113591284
Energy: 0.9491382870967543
Energy: 1.2029441135945445
Energy: 1.0389765728967921
Energy: 1.2150619210428255
Energy: 0.7560315926297788
Energy: 1.2110044758872927
Energy: 1.0181388115858476
Energy: 1.0228297847183765
Energy: 1.1163706247364382
Energy: 1.0228297668925748
Energy: 0.9480231492623413
Energy: 1.3220170227266905
Energy: 0.9086012083722774
Energy: 1.3220168820212823
Energy: 0.8581469171579327
Energy: 1.1770376725843354
Energy: 1.206451273524156
Energy: 1.1770376715305835
Energy: 1.028550963069464
Energy: 1.0558896433704623
Energy: 1.0557077972326296
Energy: 1.055889599101957
Energy: 0.9466508037895219
Energy: 1.3229249511504158
Energy: 0.8589639248791205
Energy: 1.322924951156937
Energy: 1.012652690965115
Energy: 1.183868796077215
Energy: 0.9503674998772631
Energy: 1.1838687930919507
Energy: 1.0382265221896623
Energy: 0.9900297765256465
Energy: 0.9673548981956285
Energy: 0.9900297560947964
Energy: 0.9661553271258867
Energy: 0.9779546210510203
Energy: 1.038253768419728
Energy: 0.9779546235995782
Energy: 1.073202435056115
Energy: 1.339887408056253
Energy: 1.0500796473764809
Energy: 1.339887407280605
Energy: 0.8597674947389476
Energy: 1.3322968385714318
Energy: 0.9444920221832273
Energy: 1.3322968385790397
Energy: 1.1259499457995756
Energy: 1.2417569761067406
Energy: 1.0249849964451385
Energy: 1.24175697577432
Energy: 1.1090102844539536
Energy: 1.0075304235913312
Energy: 1.038751847685835
Energy: 1.0075304236043727
Energy: 0.9046084994865075
Energy: 1.321811970118485
Energy: 0.9445429687122636
Energy: 1.3218119628247698
Energy: 1.1349208944752522
Energy: 1.156734273858647
Energy: 1.0191781819215393
Energy: 1.1567342738553863
Energy: 0.8643883789883507
Energy: 1.3895308254485719
Energy: 1.0414208161124867
Energy: 1.389530825431207
Energy: 1.0387520845130902
Energy: 1.1244867412383708
Energy: 0.9861595415159407
Energy: 1.1244850366282988

minimum gb energy = 0.6925564245623788 eV
minimum distance =  2.25105919577134 Angstroms
sigma value = 7


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

Energy: 1.205933939868565
Energy: 1.1836522831941139
Energy: 0.8821539869020134
Energy: 1.1836522831902714
Energy: 0.8691462931746012
Energy: 1.0271487737323894
Energy: 1.100538423872744
Energy: 1.02714869427227
Energy: 1.0537453552005975
Energy: 1.0420086313105845
Energy: 0.823466685073405
Energy: 1.0420086317269381
Energy: 0.7651179397546056
Energy: 0.9199278828839808
Energy: 1.058913787857194
Energy: 0.9199277892014014
Energy: 0.9486022941022613
Energy: 1.157037256591626
Energy: 0.9293571281949172
Energy: 1.157037256590089
Energy: 1.0648875592503824
Energy: 1.3058633399817678
Energy: 0.7651722136676751
Energy: 1.3058633398665274
Energy: 0.9662248050914041
Energy: 1.0437558602522152
Energy: 0.9884394488757807
Energy: 1.0437530449837793
Energy: 1.0643460278651653
Energy: 0.874614396423619
Energy: 0.8292208946107054
Energy: 0.8532272935889201
Energy: 0.8291590763014561
Energy: 1.023063927817255
Energy: 1.1068791794675865
Energy: 1.0230639274738744
Energy: 0.9593614984891815
Energy: 1.0735938958855848
Energy: 0.9628780528412721
Energy: 1.0735938973719727
Energy: 0.5924093692022983
Energy: 0.8708443741062326
Energy: 0.8147644028425652
Energy: 0.880573688168256
Energy: 1.0115217918476314
Energy: 1.0047280421727478
Energy: 0.8276535196251374
Energy: 1.0047280413462236
Energy: 1.1961638320860275
Energy: 0.905458698386807
Energy: 0.8354961333067956
Energy: 0.905458698939884
Energy: 0.8228683681130334
Energy: 1.2590391182189613
Energy: 0.8326647818990288
Energy: 1.2590391182220355
Energy: 1.0305143880947571
Energy: 0.9050977650122248
Energy: 0.9168237658642641
Energy: 0.9050977651950584
Energy: 0.5579920766710273
Energy: 0.787923491633281
Energy: 1.1057749256787244
Energy: 0.7914564177518861
Energy: 0.9308030028691013
Energy: 0.9039541276125167
Energy: 0.9134013952651852
Energy: 0.9039541611097094
Energy: 0.9408439378504271
Energy: 0.909331479315684
Energy: 0.8319263455200325
Energy: 0.9093313037309996
Energy: 0.7478315684652866
Energy: 0.8808339135117313
Energy: 0.8148652923712119
Energy: 0.8807526659197211
Energy: 0.9477556302025747
Energy: 1.0412668356599981
Energy: 0.8330767828193547
Energy: 1.0412660727386627
Energy: 0.7540458274894747
Energy: 1.095507317398525
Energy: 1.10460419319406
Energy: 1.0850226754465855
Energy: 1.0649122596398768
Energy: 0.9077454336423725
Energy: 0.8997567019036852
Energy: 0.9103543297105644
Energy: 0.8720397241588086
Energy: 1.0959116164240914
Energy: 0.8830572866511499
Energy: 1.0959117930995597
Energy: 1.2057462882071106
Energy: 0.9395380796996939
Energy: 0.7665850371818159
Energy: 0.9395174397314453
Energy: 0.9948095265949242
Energy: 1.1595785807573227
Energy: 0.8348373364923648
Energy: 1.1595785956089415
Energy: 0.7833394979392767
Energy: 0.8821235199323552
Energy: 0.8196085495148773
Energy: 0.8679841780882239
Energy: 0.9661758896209725
Energy: 0.9444833001259213
Energy: 0.849625160841143
Energy: 0.9444717863670247
Energy: 0.7659701619679593
Energy: 0.9195156860715453
Energy: 1.1674524972857012
Energy: 0.9195156834590223
Energy: 1.0693035414737064
Energy: 1.3521221334471882
Energy: 0.6777382343668421
Energy: 1.352122133454105
Energy: 0.9664003731526817
Energy: 1.4106985314120202
Energy: 1.105158290136433
Energy: 1.4106985314089462
Energy: 1.0626458581689324
Energy: 1.3059737993934266
Energy: 0.9950693287094473
Energy: 1.3059737996054286

minimum gb energy = 0.5579920766710273 eV
minimum distance =  2.23343359691047 Angstroms
sigma value = 29


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

Energy: 0.8607029313681983
Energy: 0.4535333339150758
Energy: 0.6395793743722841
Energy: 0.45353333391793116
Energy: 0.7952222285428429
Energy: 0.8965342366936625
Energy: 1.0423630118721652
Energy: 0.8965342501828547
Energy: 0.9926263305618406
Energy: 1.0525575203636413
Energy: 0.794515370082451
Energy: 1.0525575203631061
Energy: 1.0427352072954863
Energy: 0.8013864660881083
Energy: 1.0423431506697682
Energy: 0.801386452167517
Energy: 1.2277109556116423
Energy: 0.7712832424971311
Energy: 0.6399537893797079
Energy: 0.7712832411217639
Energy: 0.736174468609313
Energy: 0.8998356889739009
Energy: 0.7359457422111526
Energy: 0.8998356889757451
Energy: 0.9903712860438675
Energy: 0.7717407493019744
Energy: 1.2272036634131045
Energy: 0.7717406919278905
Energy: 1.0423177109432809
Energy: 0.801416643282143
Energy: 1.0427385679685366
Energy: 0.8014165259061707
Energy: 0.7937038215009558
Energy: 1.052790830700534
Energy: 0.7388949434097593
Energy: 1.0527908307021103

minimum gb energy = 0.4535333339150758 eV
minimum distance =  2.27815160159239 Angstroms
sigma value = 5


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

Energy: 0.8202298596168396
Energy: 0.7948011825839135
Energy: 0.09740404065654323
Energy: 0.835990085551627
Energy: 0.8563851665652434
Energy: 1.061395497849117
Energy: 0.7960655434939884
Energy: 1.06139549792676
Energy: 0.7381058702601585
Energy: 0.7260898617180291
Energy: 1.0166259200438865
Energy: 0.7260898543856107
Energy: 0.22015450777975978
Energy: 0.9821463718497722
Energy: 0.9327000641533093
Energy: 0.9826772205139744
Energy: 0.7794521468818781
Energy: 1.0756140778536938
Energy: 0.8014332209689902
Energy: 1.0756140827538079
Energy: 0.6820969583280727
Energy: 0.7676000906163235
Energy: 0.8892379653114163
Energy: 0.7676000907527348
Energy: 0.718009287986135
Energy: 0.8987834771206554
Energy: 0.7618104593185457
Energy: 0.8987829326389593
Energy: 0.6717640741550012
Energy: 0.9656843595481001
Energy: 0.751750505872091
Energy: 0.9656843668674515
Energy: 0.7396826803299187
Energy: 0.7632177893874137
Energy: 0.3862500874173629
Energy: 0.7633766234527253
Energy: 0.9080150493614617
Energy: 0.8308576954293588
Energy: 0.7227213246847427
Energy: 0.8308575552532654
Energy: 0.7095208033611562
Energy: 0.9430561310268117
Energy: 0.7711660286028009
Energy: 0.941744277555484
Energy: 0.7350979037759775
Energy: 0.8610379241498903
Energy: 0.8852789221185077
Energy: 0.8568501766875702
Energy: 0.23085217599435848
Energy: 0.8834906311615897
Energy: 0.9679668009035909
Energy: 0.8834906312298283
Energy: 0.8466193108880596
Energy: 0.8838820057192879
Energy: 0.9068336484455879
Energy: 0.8838819773569659
Energy: 0.8275847499099978
Energy: 1.0211271734601841
Energy: 0.7882825897364892
Energy: 1.0211271730900855
Energy: 0.8800767858634557
Energy: 0.7442182960485967
Energy: 0.7809100992930924
Energy: 0.7288778056076837
Energy: 0.8093205078438264
Energy: 1.0346892326676516
Energy: 0.7872625665811454
Energy: 1.0346892093425808
Energy: 0.7775534149855017
Energy: 0.8723661615728122
Energy: 0.35034953454794615
Energy: 0.8723865663395405
Energy: 0.746241406645929
Energy: 0.8421855735977322
Energy: 0.7661505161716534
Energy: 0.8421855707547751
Energy: 0.7765388162528787
Energy: 0.8240203309481089
Energy: 0.7508160416308807
Energy: 0.826726113909445
Energy: 0.7246428893873409
Energy: 0.9763571790968222
Energy: 0.9117656882689027
Energy: 0.9763571789814632
Energy: 0.8453137841491538
Energy: 0.9202983696883046
Energy: 0.6666216801663516
Energy: 0.9202983697673994
Energy: 0.7694156281333082
Energy: 0.9543381827939639
Energy: 0.7788085012108068
Energy: 0.9543381588514459
Energy: 0.7148542193733066
Energy: 1.1567176801363659
Energy: 0.7799755612672519
Energy: 1.1567183597699715
Energy: 0.9002768978994363
Energy: 0.9274000441497992
Energy: 0.6957954592527131
Energy: 0.9274000439560713
Energy: 0.5680620503118866
Energy: 0.9557707899952061
Energy: 0.7958317926199836
Energy: 0.9557707899988359
Energy: 0.8554418802751691
Energy: 1.003786678906227
Energy: 0.8235792259961198
Energy: 1.0037866789555916
Energy: 0.06802354127248253
Energy: 1.1712417294770505
Energy: 0.7790502724042098
Energy: 1.1712417290837875
Energy: 0.7568248843140936
Energy: 1.0180013688839833
Energy: 0.9692281940619534
Energy: 1.018001363835843
Energy: 0.8292764962445498
Energy: 0.7455025383474881
Energy: 0.8527760232593233
Energy: 0.7455135524433187
Energy: 0.645369661636237
Energy: 0.8152408040360252
Energy: 0.8383982087021922
Energy: 0.8152408049612062
Energy: 0.8179604741785952
Energy: 0.8342339564648891
Energy: 0.7674811766125379
Energy: 0.8338939166352406
Energy: 0.9060168263053988
Energy: 0.9486879275786974
Energy: 0.08374414165490456
Energy: 0.9486145105819883

minimum gb energy = 0.06802354127248253 eV
minimum distance =  2.21519591584337 Angstroms
sigma value = 1


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

Energy: 0.791552663473007
Energy: 0.7899649675244232
Energy: 0.3839397186589959
Energy: 0.7899649675244232
Energy: 0.8187598653292175
Energy: 0.5467009936610147
Energy: 0.7647327142765765
Energy: 0.544132064500454
Energy: 0.7077529472572515
Energy: 0.8206189694781387
Energy: 1.1770621855893246
Energy: 0.8191480733867761
Energy: 0.7509764746350058
Energy: 1.0368070974813204
Energy: 0.7956961134774627
Energy: 1.0368071546548703
Energy: 0.741613718276435
Energy: 1.135396164945752
Energy: 0.655637254473177
Energy: 1.1353961603286105
Energy: 0.7215340759173857
Energy: 0.8143216150585206
Energy: 0.793046628203669
Energy: 0.8112395019032069
Energy: 0.7058772274274994
Energy: 0.8903051909543109
Energy: 0.5773934745415452
Energy: 0.8903051918753302
Energy: 0.7155427077031435
Energy: 0.8032212294237828
Energy: 0.6625787258288456
Energy: 0.8032200384414748
Energy: 0.8248533744748494
Energy: 1.0488498434451685
Energy: 0.6170461913210191
Energy: 1.0488578869228165
Energy: 0.8052965690068679
Energy: 1.0527814131100304
Energy: 0.6704682785890071
Energy: 1.0527814106439415
Energy: 0.5097206761770408
Energy: 0.8162537840556267
Energy: 0.6772078133774706
Energy: 0.8162537841088248
Energy: 0.70721200406271
Energy: 0.8888511447033685
Energy: 0.7317645562655778
Energy: 0.8888511508816392
Energy: 0.6937226327379129
Energy: 0.7918322379370963
Energy: 0.7836379610878377
Energy: 0.7918343973697698
Energy: 0.6945719952079998
Energy: 1.1282187390372724
Energy: 0.7469135833155836
Energy: 1.1282187390081642
Energy: 0.7481338695890214
Energy: 1.0355819157530597
Energy: 0.7829368433423208
Energy: 1.0355818453862629
Energy: 0.7414651664586515
Energy: 0.62109795887433
Energy: 0.5435467785985095
Energy: 0.8207394435533919
Energy: 0.8247079412811387
Energy: 1.0458621817566915
Energy: 0.7684395370852068
Energy: 1.0458621780957005
Energy: 0.7915526634339067
Energy: 0.7899649675234196
Energy: 0.3446079121626389
Energy: 0.7899649675244232
Energy: 0.8187598233294688
Energy: 0.5441632672837612
Energy: 0.7647327251422502
Energy: 0.5595561688319352
Energy: 0.7077529472201132
Energy: 0.8193665251829814
Energy: 1.177059919218905
Energy: 0.8197794811199549
Energy: 0.7509754454112818
Energy: 1.0368072958860888
Energy: 0.7956961134754553
Energy: 1.0368072065229892
Energy: 0.741613718314577
Energy: 1.1353961549088452
Energy: 0.6111409078121665
Energy: 1.1353961438214828
Energy: 0.7215340693618927
Energy: 0.8107769214879861
Energy: 0.7930466284023177
Energy: 0.8114021518280504
Energy: 0.705877270890057
Energy: 0.8903051897764264
Energy: 0.5110259479864147
Energy: 0.8903051893821405

minimum gb energy = 0.3446079121626389 eV
minimum distance =  2.24878792336307 Angstroms
sigma value = 17


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

Energy: 0.5049811889294378
Energy: 0.4996007456080489
Energy: 0.03084813325480283
Energy: 0.49960074562728096
Energy: 0.4952974842992756
Energy: 0.9030306962144332
Energy: 0.6782076593922108
Energy: 0.9041390675370521
Energy: 0.6564570658533948
Energy: 0.4836626518680646
Energy: 0.6238414261377567
Energy: 0.20667286567377824
Energy: 0.4844738919527475
Energy: 0.8899490288144567
Energy: 0.6762305956037313
Energy: 0.8899647253038028
Energy: 0.6010351765882482
Energy: 1.0149482331997042
Energy: 0.5125516493657248
Energy: 1.01494821939165
Energy: 0.18826720859545473
Energy: 1.015370024703803
Energy: 0.6875171912215549
Energy: 1.0153699890702383
Energy: 0.6524532704462846
Energy: 0.8412137163195206
Energy: 0.4531302194582687
Energy: 0.8412137195372527
Energy: 0.6746877937674626
Energy: 0.5996760076488555
Energy: 0.6546027815631181
Energy: 0.639089411974553
Energy: 0.5947735334222579
Energy: 0.8460485164346837
Energy: 0.2643598470733106
Energy: 0.8460475651420374
Energy: 0.49893134004772494
Energy: 0.9056281736517494
Energy: 0.7037970617512533
Energy: 0.9056257006065904
Energy: 0.41284238647727667
Energy: 1.020135921380957
Energy: 0.6578315180895248
Energy: 1.0201359226521907
Energy: 0.44638188459511496
Energy: 0.6879330917146486
Energy: 0.6568005682185052
Energy: 0.6879340627002465
Energy: 0.10931743125738601
Energy: 1.0504141528031787
Energy: 0.6727104688787979
Energy: 1.0504141707684598
Energy: 0.6083985659148824
Energy: 0.9760190197525491
Energy: 0.5646655028226165
Energy: 0.976018943196434
Energy: 0.07725561574883262
Energy: 0.8900016703696322
Energy: 0.6268871891511183
Energy: 0.8900016733914342
Energy: 0.7115323997603459
Energy: 0.46611950128583574
Energy: 0.29072439934972777
Energy: 0.4971256748848565
Energy: 0.4980574785239097
Energy: 0.8648925990939722
Energy: 0.6638899078548479
Energy: 0.8648925991070003
Energy: 0.3254136165805458
Energy: 0.7233506129679276
Energy: 0.44823282161039013
Energy: 0.7233450034380138
Energy: 0.5290142702384719
Energy: 1.0442198968596004
Energy: 0.19924988547155306
Energy: 1.0442198831501315
Energy: 0.7288485126587201
Energy: 0.19831627974193422
Energy: 0.5537051681258344
Energy: 0.2400931949784778
Energy: 0.7383462696313736
Energy: 0.9473994424536937
Energy: 0.6572311402275168
Energy: 0.9491672981170016
Energy: 0.766829244509447
Energy: 1.008540137314024
Energy: 0.9332025649224361
Energy: 1.0085401163895438
Energy: 0.15757944087097042
Energy: 0.8437325564509738
Energy: 0.7740726793730871
Energy: 0.8437325853638084
Energy: 0.6469929364301068
Energy: 0.8079090611158205
Energy: 0.4854618239497758
Energy: 0.8079090515475046
Energy: 0.09287593116234232
Energy: 0.832249672832761
Energy: 0.6436124989962282
Energy: 0.8322495855598206
Energy: 0.7028446445034053
Energy: 0.7343474878821624
Energy: 0.33389280114283504
Energy: 0.7343474338541766
Energy: 0.8083771578867668
Energy: 0.8790838263861231
Energy: 0.6855761159910996
Energy: 0.8755962458799192
Energy: 0.6468489514516448
Energy: 0.7292733135311652
Energy: 0.6644121299113068
Energy: 0.5488821224827293
Energy: 0.7246802028539037
Energy: 1.0136976370099469
Energy: 0.6511037706418913
Energy: 1.0136976369938167
Energy: 0.5330059700609804
Energy: 0.8180275743238423
Energy: 0.49329200127731926
Energy: 0.8180389874748496
Energy: 0.37791510181865295
Energy: 0.6771925231426307
Energy: 0.42726047091613567
Energy: 0.6771925232783831
Energy: 0.6784968653716809
Energy: 0.9739854508380468
Energy: 0.39885809387873894
Energy: 0.9739811346423839
Energy: 0.7058136665197777
Energy: 0.607333719635671
Energy: 0.9137627017189145
Energy: 0.7509335227816781
Energy: 0.5870530257118386
Energy: 0.8507272379756373
Energy: 0.787175557324721
Energy: 0.8507272393969485
Energy: 0.6499753503322576
Energy: 0.7334290270289335
Energy: 0.07971749376162703
Energy: 0.733429036463358
Energy: 0.3324001015034283
Energy: 0.9306962498562809
Energy: 0.6946957905958266
Energy: 0.9306962583692022
Energy: 0.7519599070334734
Energy: 1.0022086349138615
Energy: -0.054424150153417096
Energy: 1.0022039442682062
Energy: 0.47606611345095373
Energy: 0.6383227246893757
Energy: 0.6999847167770573
Energy: 0.35450096880866516

minimum gb energy = -0.054424150153417096 eV
minimum distance =  2.23635408125236 Angstroms
sigma value = 89


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

Energy: 0.6693434030407578
Energy: 0.6704648671419796
Energy: -0.026795549562701977
Energy: 0.6704648671306536
Energy: 0.6148391715353531
Energy: 0.7095913824718035
Energy: 0.6533059883909784
Energy: 0.70959138247505
Energy: 0.612832371811456
Energy: 0.7989846962587361
Energy: 0.6170798401632261
Energy: 0.7989846961548847
Energy: 0.5451026248130986
Energy: 0.7001931314743923
Energy: 0.659732985790278
Energy: 0.7001931314695227
Energy: 0.6853243987353977
Energy: 0.6961568714855445
Energy: 0.5718903770545104
Energy: 0.6961568710426165
Energy: 0.4830941229118522
Energy: 0.6446117223504441
Energy: 0.6173125920378721
Energy: 0.6446117213606628
Energy: 0.6352604911585695
Energy: 0.7651239643085709
Energy: 0.5959620291564606
Energy: 0.7651239643150639
Energy: 0.5465525185232829
Energy: 0.7348154398796127
Energy: 0.6804300563332457
Energy: 0.7348136215951162
Energy: 0.6881044190345181
Energy: 0.703921038796726
Energy: 0.1554744504512227
Energy: 0.7039210388048424
Energy: 0.706742885624106
Energy: 0.968581695911725
Energy: 0.6510569798356824
Energy: 0.9685816958727669
Energy: 0.618229710816784
Energy: 0.7078181085054317
Energy: 0.6383104114772733
Energy: 0.7078181085038086
Energy: 0.45695083703680756
Energy: 0.7602754016898077
Energy: 0.6162663351053638
Energy: 0.7602754016898077
Energy: 0.6694223986690654
Energy: 0.6123826618382993
Energy: 0.5580640501147167
Energy: 0.6123835576911599
Energy: 0.6305726752987328
Energy: 0.6887177159637368
Energy: 0.6820525140905636
Energy: 0.6887177159199087
Energy: 0.4989554199878902
Energy: 0.5985030116435915
Energy: 0.6775413566093754
Energy: 0.5985130539084055

minimum gb energy = -0.026795549562701977 eV
minimum distance =  2.24093736609485 Angstroms
sigma value = 13


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

Energy: 0.6333760063270868
Energy: 0.6069318191549007
Energy: -0.20048293634089703
Energy: 0.6069318192215767
Energy: 0.5636152994667899
Energy: 0.554529240940559
Energy: 0.5138307289169155
Energy: 0.5545292024978452
Energy: 0.5454937589471097
Energy: 0.7754451591567213
Energy: 0.8499104183174415
Energy: 0.7754451464204368
Energy: 0.4966760838178519
Energy: 0.5391128391631591
Energy: 0.5003186039823219
Energy: 0.5391128392305153
Energy: 0.5538062829819717
Energy: 0.8128544278118891
Energy: 0.4178973179219721
Energy: 0.8128430104032991
Energy: 0.45359334702873166
Energy: 0.5950000852254445
Energy: 0.5795844437520268
Energy: 0.595000082941143
Energy: 0.5385878702678883
Energy: 0.798840236205265
Energy: 0.34935282194572825
Energy: 0.7988402299622794
Energy: -0.06797867221221136
Energy: -0.19869708931597432
Energy: 0.5851016762299585
Energy: -0.20561567766212452
Energy: 0.5454392774951489
Energy: 0.5989258409588432
Energy: 0.8376722181909608
Energy: 0.5989260084479382
Energy: 0.06782890509452011
Energy: 0.12796737806650957
Energy: 0.5223856642221939
Energy: 0.11349140987990035
Energy: 0.5433455663460427
Energy: 0.6210977083057393
Energy: 0.3098063195071083
Energy: 0.6210977830434959
Energy: 0.48752296089228536
Energy: 0.30504815508652616
Energy: 0.3536733113750834
Energy: 0.29786422951112757
Energy: 0.547622758790453
Energy: 0.39013038237399555
Energy: 0.19514336831814483
Energy: 0.24002816751399114
Energy: 0.9975128007058685
Energy: 0.592464766769471
Energy: 0.5414072728975835
Energy: 0.5924647564434176
Energy: 0.5922792710001491
Energy: 0.7609710678860193
Energy: 0.4203748188797022
Energy: 0.7609705909048484
Energy: 0.45842674582912785
Energy: 0.5866977835660457
Energy: 0.5054720271948424
Energy: 0.5866977869887865
Energy: 0.5655943712998139
Energy: 0.7815356077875512
Energy: 0.44426034400846787
Energy: 0.7815356228420932
Energy: -0.11118518057549381
Energy: 0.19284485434609197
Energy: 0.5338439914760879
Energy: 0.23336080534583736
Energy: -0.2540234211295255
Energy: 0.6120961335931121
Energy: 0.5418312154758258
Energy: 0.612092329841782
Energy: 0.35287957045662166
Energy: -0.07669075777940576
Energy: 0.49608724279493344
Energy: -0.1741595681083748
Energy: -0.0829694540421502
Energy: 0.5920212235773723
Energy: 0.5390304328088892
Energy: 0.5920212982607614
Energy: 0.571357790584302
Energy: 0.7849024618800198
Energy: 0.43906773478810596
Energy: 0.784902436699947
Energy: 0.4517498025289818
Energy: 0.5820600214853511
Energy: 0.5061751955229865
Energy: 0.5820604339297551
Energy: 0.5927907534023809
Energy: 0.7986714780062112
Energy: 0.48923214518434727
Energy: 0.7986714784264923
Energy: 1.0191535173627992
Energy: 0.5849679588839635
Energy: 0.5238873677428578
Energy: 0.5849679693916131
Energy: 0.5793864952230577
Energy: 0.24908849832358954
Energy: -0.17171754786170157
Energy: 0.25716160143750233
Energy: 0.4616110637250938
Energy: 0.5438336147344885
Energy: 0.5368776787649953
Energy: 0.5438318809994009
Energy: 0.5369636488357004
Energy: 0.6399614665563941
Energy: 0.36323851839327215
Energy: 0.6399614665638782
Energy: 0.6767692069925939
Energy: 0.10179927982467332
Energy: 0.5115924221932977
Energy: 0.08484514942863057
Energy: 0.5330504864320149
Energy: 0.592452165534883
Energy: 0.7033411835812897
Energy: 0.5924522498935236
Energy: -0.11747587129192218
Energy: 0.5502638973486382
Energy: 0.2717236603565407
Energy: 0.5502640800405956
Energy: 0.5439575450894195
Energy: 0.8023652896419969
Energy: 0.945385101346702
Energy: 0.8023652935210785
Energy: 0.28033382784209177
Energy: 0.5982312524776091
Energy: 0.5501250831333894
Energy: 0.5982313678519539
Energy: 0.5326375539931392
Energy: 0.5085603433728445
Energy: 0.7961069969619773
Energy: 0.5085069256689744
Energy: 0.46285814051359636
Energy: 0.5349133078370915
Energy: 0.5102681419009772
Energy: 0.5349133243816993

minimum gb energy = -0.2540234211295255 eV
minimum distance =  2.29435495875819 Angstroms
sigma value = 37


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

Energy: 0.4415101914347786
Energy: 0.4282442422695121
Energy: -0.13020598735994673
Energy: 0.4282442422695121
Energy: 0.3687865151408214
Energy: 0.4312086728703177
Energy: 0.36565541934516765
Energy: 0.431132113186851
Energy: 0.43392382768335847
Energy: 0.5018218333785632
Energy: 0.3965914889704577
Energy: 0.5018260757488945
Energy: 0.3404367651400589
Energy: 0.43140252483017055
Energy: 0.37044321328854907
Energy: 0.4314025248278294
Energy: 0.3709386508384981
Energy: 0.43080745194559705
Energy: 0.3119810548201954
Energy: 0.4308074516811597
Energy: 0.25549506381212606
Energy: 0.4311174055941469
Energy: 0.36451923375704
Energy: 0.4311973186326429
Energy: 0.4144681485871438
Energy: 0.49625516558625377
Energy: 0.7675846350018808
Energy: 0.49622979342297985
Energy: 0.28191611985624343
Energy: 0.4349232441806318
Energy: 0.46013900888124953
Energy: 0.4349232441864846
Energy: 0.37151050244554734
Energy: 0.4549791162960689
Energy: 0.76374812159784
Energy: 0.4549791162410798
Energy: 0.5838600779156047
Energy: 0.47750669915993954
Energy: 0.3751845469919294
Energy: 0.4775066985608852
Energy: 0.41991759644048915
Energy: 0.5005022865611833
Energy: 0.26819766099300246
Energy: 0.5004649155731532
Energy: 0.7327694266612712
Energy: 0.42754721792154887
Energy: 0.3504854219044785
Energy: 0.42754680896753927
Energy: 0.3717606991372579
Energy: 0.43067714016938813
Energy: 0.23458052776153876
Energy: 0.43067714132655427
Energy: 0.7605038567725062
Energy: 0.49352193509905956
Energy: 0.3647706375712494
Energy: 0.49352195110502134
Energy: 0.47177307748823083
Energy: 0.5315572613725311
Energy: 0.3115164374052772
Energy: 0.5315572610952444
Energy: 0.4549952408171681
Energy: 0.44152980491829025
Energy: 0.37366881783805267
Energy: 0.4415298049042702
Energy: 0.3715249060427776
Energy: 0.4995408310537255
Energy: 0.1052071538921737
Energy: 0.4995408323700063
Energy: 0.2932650629430098
Energy: 0.8522103983258258
Energy: 0.3604786890448665
Energy: 0.8522103986803421
Energy: 0.4250849594874039
Energy: 0.4350609879554974
Energy: 0.3513394188138548
Energy: 0.4350609877811656
Energy: 0.36324928675257695
Energy: 0.7867471777925883
Energy: 0.3648124732161783
Energy: 0.7867471767641292

minimum gb energy = -0.13020598735994673 eV
minimum distance =  2.21417878150765 Angstroms
sigma value = 25


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

Energy: 0.26287775808477776
Energy: 0.10076206239787211
Energy: 0.38262195649516456
Energy: 0.10031609221123992
Energy: 0.8368397172262599
Energy: 0.1959837896227329
Energy: 0.09604461548746855
Energy: 0.19598378924361234
Energy: 0.09928023973062823
Energy: 0.10311214432064303
Energy: 0.03670740159274387
Energy: 0.10311214432064303
Energy: 0.1421078945785366
Energy: 0.17674708815779416
Energy: 0.17378491366647122
Energy: 0.1637872887128518
Energy: 0.16004770931528495
Energy: 0.19165155312243343
Energy: 0.021994622247699155
Energy: 0.19165155781214457
Energy: 0.12475069236420137
Energy: 0.14121184215565286
Energy: 0.15664989926017905
Energy: 0.1329468564391806
Energy: 0.1595200154467687
Energy: 0.12161364831995504
Energy: 0.11328677334487017
Energy: 0.12161364833366571
Energy: -0.04075335771703595
Energy: 0.24316904462840977
Energy: 0.16422367931734336
Energy: 0.243169044622053
Energy: 0.15011388051251484
Energy: 0.20020098321494179
Energy: 0.5261236649947114
Energy: 0.20020097746631055
Energy: 0.013309097288632757
Energy: 0.13372579756671726
Energy: 0.23232573929600706
Energy: 0.13349609406511417
Energy: 0.1275773444890799
Energy: 0.1373481563513783
Energy: 0.6948017381808739
Energy: 0.1373481563842424
Energy: 0.1923714312859727
Energy: 0.5840705509530346
Energy: 0.162400159936754
Energy: 0.5793545596630556
Energy: 0.16149914249281289
Energy: 0.19633819844291936
Energy: 0.4856301550210254
Energy: 0.19633819998786167
Energy: 0.32616853454857375
Energy: 0.017717464486569523
Energy: 0.0638597689552233
Energy: 0.0020971365497871653
Energy: 0.14057240986228633
Energy: 0.13480665544129367
Energy: -0.06498330015970571
Energy: 0.1348066664871846
Energy: 0.5013539219930228
Energy: 1.0070329351453093
Energy: 0.12717686788447252
Energy: 1.007032934731455
Energy: 0.16640922393510424
Energy: 0.24963812430181828
Energy: -0.11085309666770597
Energy: 0.24963812671747074
Energy: 0.5165155953322016
Energy: 0.18863326826978855
Energy: 0.07842030973889595
Energy: 0.1886332682597756
Energy: 0.21293909578849007
Energy: 0.10297597286591209
Energy: 0.030020186819671175
Energy: 0.10297598943379284
Energy: 0.4377666919295817
Energy: 0.2936550410677374
Energy: 0.09975647257566743
Energy: 0.29558102998847063
Energy: 0.16135804591085445
Energy: 0.2426323553557358
Energy: -0.11206819646178474
Energy: 0.24263230115416545
Energy: 0.27206958952371274
Energy: 0.19323602550104765
Energy: 0.16426561850553648
Energy: 0.1932360254160831
Energy: 0.131577154897341
Energy: 0.10395999624470591
Energy: 0.42826129432075505
Energy: 0.10361786190219703
Energy: 0.10175851527888653
Energy: 0.3502238579711678
Energy: 0.13603628549850605
Energy: 0.35022385320197635
Energy: 0.12665734254916447
Energy: 0.6309652121870288
Energy: 0.50332850726714
Energy: 0.630904363108722
Energy: 0.023112772687293375
Energy: 0.24018673902257018
Energy: 0.14546111471249454
Energy: 0.24018670263783884

minimum gb energy = -0.11206819646178474 eV
minimum distance =  2.30914050828693 Angstroms
sigma value = 41


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

Energy: 1.0156398709050976
Energy: -0.06357554099911074
Energy: -0.46864094629540104
Energy: -0.06414137103825485
Energy: 0.5844365232641651
Energy: -0.23724724488138627
Energy: -0.3443318492102532
Energy: -0.23712453791780672
Energy: 0.36794736024733543
Energy: 0.20343379624960592
Energy: -0.11101989682291706
Energy: 0.14129857363578696
Energy: 0.2309510377415639
Energy: -0.09592275149566513
Energy: -0.3284339933769674
Energy: -0.09592258599593204
Energy: 0.2056589074085026
Energy: -0.033124542860948646
Energy: 0.0865911577920012
Energy: -0.03312454287218913
Energy: 0.0493571933038707
Energy: -0.32922505885101117
Energy: -0.310325440548458
Energy: -0.3297478996107325
Energy: -0.27567644492753085
Energy: -0.22111001142716463
Energy: 0.5290579630433504
Energy: -0.22110999619258126
Energy: 0.005404518947576586
Energy: 0.7044238145033488
Energy: 0.23983759253123246
Energy: 0.7044238144674132
Energy: -0.33294890051371034
Energy: -0.10563854882284537
Energy: 0.8632266284368071
Energy: -0.11818933279988751
Energy: -0.46067228030652835
Energy: -0.3265308244391717
Energy: 0.2691469010450843
Energy: -0.3265326195596945
Energy: -0.33255228997848063
Energy: -0.19600021205942067
Energy: 0.5085550336246281
Energy: -0.1960002120886119
Energy: -0.21239355440736238
Energy: -0.15708801874384035
Energy: 0.6010001999661871
Energy: -0.1570776694278791
Energy: -0.3461072789064314
Energy: -0.1582617151570555
Energy: 0.7008986324038606
Energy: -0.12385414041515616
Energy: -0.11955116628124947
Energy: 0.07478342678419377
Energy: 0.2913174976530082
Energy: 0.10675770647934388
Energy: -0.3558811572625278
Energy: -0.2685981181001845
Energy: 0.1773195482531014
Energy: -0.2685980472873148
Energy: 0.13232577266171675
Energy: -0.106168351349765
Energy: 0.28680298741364363
Energy: -0.10541145130707956
Energy: -0.2875263976009562
Energy: 0.389376601915887
Energy: 0.2372391370683787
Energy: 0.24855183219443525
Energy: 0.4811960628879204
Energy: 0.010676674617771208
Energy: -0.3141013581608304
Energy: 0.010677417390967996
Energy: 0.2818050408346115
Energy: -0.16249633541857772
Energy: -0.12018487698766507
Energy: -0.1624963519640071
Energy: 0.4052605140876825
Energy: -0.07045987027090081
Energy: -0.32276429261639455
Energy: -0.10885404119797572
Energy: 0.32295296551780883
Energy: 0.7708444440712234
Energy: -0.07666892631375465
Energy: 0.7708444441034462
Energy: 0.6401630185585733
Energy: 0.7172119844758686
Energy: -0.3437938932702952
Energy: 0.7172119845313218
Energy: 0.8807152317742499
Energy: -0.12695521174106425
Energy: -0.471077725159178
Energy: -0.14933473013980342
Energy: 0.7261989519378567
Energy: -0.12143488944553019
Energy: -0.014521855990785214
Energy: -0.15349403116754357
Energy: 0.3430773986805635
Energy: -0.0664793459919924
Energy: -0.40452905973066966
Energy: -0.0664242921874887
Energy: 0.5409220307794296
Energy: -0.01013354417416788
Energy: -0.331875267868194
Energy: -0.024548823537102152
Energy: 0.28663740847232444
Energy: -0.14081598885741448
Energy: 0.020912982485193413
Energy: -0.13964156374083225
Energy: 0.14471504477131467
Energy: -0.1401097842741946
Energy: -0.23715432970911737
Energy: -0.16467981351856614
Energy: -0.33540340135956037
Energy: -0.05785517625395686
Energy: 0.54194826975407
Energy: -0.057864932619165886
Energy: -0.06980926205680538
Energy: 0.016645909650602152
Energy: 0.2515852676763643
Energy: 0.01373803035569638
Energy: -0.30710689274283487
Energy: -0.11346585359386145
Energy: 0.35842776324814346
Energy: -0.11133131121646307
Energy: -0.2931577756805154
Energy: -0.12230495497082039
Energy: 0.3237562008307992
Energy: -0.1215882026923345

minimum gb energy = -0.471077725159178 eV
minimum distance =  2.2989985778168 Angstroms
sigma value = 15


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

Energy: 0.4704176752161463
Energy: -0.0028414255823563687
Energy: -0.5561461623162379
Energy: -0.0028391791668200728
Energy: 0.9450505496704636
Energy: -0.34258593873656357
Energy: -0.5551013259599143
Energy: 0.02743696731793015
Energy: -0.42585851210101194
Energy: -0.8862831388104171
Energy: -0.11102839246889395
Energy: -0.8862960806281241
Energy: 0.5692661141468367
Energy: -0.725185580717948
Energy: -0.5591924100177142
Energy: -0.7081917032940758
Energy: -0.5606672596604779
Energy: -0.28599856932949747
Energy: -0.09484404615109716
Energy: -0.28769475705137465
Energy: 0.44602479632645275
Energy: -0.1324989593635358
Energy: -0.5559059470159307
Energy: -0.22028106995573588
Energy: -0.5027567448282818
Energy: -0.4125775587345327
Energy: -0.11375925836782143
Energy: -0.41257756009246743
Energy: -0.019584650406210685
Energy: -0.4096164336327156
Energy: -0.5570137101085414
Energy: -0.40711915591531883
Energy: -0.5732355882802673
Energy: -0.03385088171251744
Energy: 0.38231184893521974
Energy: -0.03382868989876833
Energy: -0.34456758680181565
Energy: -0.05988427821005089
Energy: -0.21876265550488996
Energy: -0.16169678641697294
Energy: -0.5032391744140806
Energy: -0.20639243005460847
Energy: 0.7189324407571076
Energy: -0.5043799395712759
Energy: -0.4591071618555408
Energy: -0.5084217058869891
Energy: -0.37303907080783716
Energy: -0.5084235081489946
Energy: -0.563329642113614
Energy: -0.18349672176055123
Energy: 0.7331213953237437
Energy: -0.18290326940282817
Energy: -0.42102917884333674
Energy: -0.9507952822776341
Energy: 0.4711502227001033
Energy: -0.9507937300110513
Energy: -0.5019631904526985
Energy: -0.7325367337479806
Energy: -0.2602384709633231
Energy: -0.2847155415997847
Energy: -0.015991492126371038
Energy: -0.8039690195639267
Energy: -0.3631248072472467
Energy: -0.8025118396275649
Energy: -0.588014086547518
Energy: -0.857823811876747
Energy: -0.02807679854146361
Energy: -0.8577892171103486
Energy: -0.0488285069295076
Energy: -0.13864515055781232
Energy: -0.45677302457339675
Energy: -0.05588347476476064
Energy: -0.508927189391635
Energy: -0.8117251833146532
Energy: -0.10279688551162672
Energy: -0.8077252909480016
Energy: -0.1063420124362822
Energy: 0.08763488656836327
Energy: -0.5556854530572739
Energy: -0.29182251841684853
Energy: -0.4621046823144577
Energy: 0.010929010695734626
Energy: -0.023264175899472217
Energy: -0.031852548437944495
Energy: 0.34491571585513797
Energy: -0.041103852846292255
Energy: -0.550048681615352
Energy: -0.04314408980096248
Energy: -0.5089320437880149
Energy: -0.9648722679099391
Energy: -0.4314906495371545
Energy: -0.9478346641497245
Energy: 0.18723603435844993
Energy: 0.11691107087088001
Energy: -0.5575048074851637
Energy: -0.7783923322274802
Energy: -0.42553934360437345
Energy: 0.2050491327647757
Energy: -0.4836760413177036
Energy: 0.19387194310269165
Energy: 0.7795343892819188
Energy: 0.6189413299178674
Energy: -0.5540403774761644
Energy: 0.61894135719279
Energy: 0.537962037925607
Energy: -1.004074415865877
Energy: -0.2161432520323428
Energy: -1.0041934985893166
Energy: -0.16096836891875613
Energy: -0.7477531894727811
Energy: -0.5583815974187258
Energy: -0.7398936001537595
Energy: -0.4248590964389403
Energy: 0.6705571240169829
Energy: -0.4596651195533838
Energy: 0.670557124171186
Energy: 0.4410448408513376
Energy: -0.19678226081191996
Energy: -0.5513520800618567
Energy: -0.3239841006663322
Energy: -0.49626695825552125
Energy: -0.7152030878328479
Energy: -0.18744043517335288
Energy: -0.18535275198559303
Energy: 0.3353122491485388
Energy: -0.1622433457890561
Energy: -0.5529162925473303
Energy: -0.10376120599152987
Energy: -0.48173585388117857
Energy: 0.1833018934783515
Energy: -0.26108547691079054
Energy: 0.18331500502640533
Energy: -0.4347213324534317
Energy: 0.018100851606601895
Energy: -0.5468338256736138
Energy: 0.0881068498532263
Energy: -0.7730412962950859
Energy: -0.6656922553125646
Energy: 0.17970199962288566
Energy: -0.6767699621181893
Energy: -0.022312357583281706
Energy: -0.9753497730920053
Energy: -0.5843232309672809
Energy: -0.9684714464349216
Energy: -0.47494156291075695
Energy: 0.20906187475852958
Energy: 0.2941217052485347
Energy: -0.217580479422146

minimum gb energy = -1.0041934985893166 eV
minimum distance =  2.25100722416639 Angstroms
sigma value = 85


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

Energy: 0.5928426358313564
Energy: 0.48302274250578414
Energy: -0.0659828695442075
Energy: 0.4830227170258256
Energy: 0.9658964676889612
Energy: 0.33316927819729664
Energy: -0.02123854869610977
Energy: 0.3331691540626645
Energy: 0.43849700991906426
Energy: 0.1255921341893431
Energy: -0.06950512603388034
Energy: 0.12559213570606387
Energy: 0.6523312097513232
Energy: 0.3640397218649581
Energy: -0.02302858527350212
Energy: 0.36403971940441926
Energy: 0.06951427317812026
Energy: -0.027655304522762714
Energy: 0.04027125992813988
Energy: -0.02765530421731634
Energy: 0.45051600787406826
Energy: 0.3568901654902735
Energy: -0.022593972985859495
Energy: 0.3568904852667486
Energy: 0.027505359950733062
Energy: 0.15481034346658473
Energy: 0.18391752316970542
Energy: 0.15481141348539593
Energy: 0.22954254968677337
Energy: 0.3039599024631672
Energy: -0.026415472907035657
Energy: 0.30394503354055685
Energy: -0.005104356826620424
Energy: 0.05607546115758725
Energy: 0.352601237160052
Energy: 0.05607577695239807
Energy: 0.05146913760631162
Energy: 0.15510375086803374
Energy: 0.005831087625642345
Energy: 0.15510374885874467
Energy: -0.007514693730544347
Energy: 0.30402552376863995
Energy: 0.5236795727552545
Energy: 0.30402552229208646
Energy: -0.25302321585161075
Energy: 0.12879608122833786
Energy: 0.07274735642194984
Energy: 0.12890106426987605
Energy: -0.0047193642721825675
Energy: 0.06049783979864192
Energy: 0.7714659886605691
Energy: 0.06049783972161087
Energy: -0.19206428859837973
Energy: 0.11218287814835727
Energy: 0.47242711045562163
Energy: 0.11218218238974577
Energy: -0.008502276830718712
Energy: 0.330570058755519
Energy: 0.846946428116185
Energy: 0.3535381068517705
Energy: -0.31567196178998214
Energy: 0.5076979797544152
Energy: 0.46215202845333747
Energy: 0.5076977620094668
Energy: 0.006700035540441621
Energy: 0.058606940478899076
Energy: 0.8989935253371588
Energy: 0.058606940483854286
Energy: -0.14970771356270637
Energy: 0.08461593113945039
Energy: 0.47647799641118566
Energy: 0.08449737998581355
Energy: -0.007607118261928026
Energy: 0.27827280130363835
Energy: 0.6877628425284666
Energy: 0.2782627858357491
Energy: 0.11807112178373357
Energy: 0.46925893607797786
Energy: 0.0714517260168517
Energy: 0.4692582703527658
Energy: -0.008421006709377574
Energy: -0.033054311974153976
Energy: 0.5421921435074077
Energy: -0.03305410436033987
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Energy: 0.30372802506846586
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Energy: 0.3032590569036796
Energy: -0.007955061565812395
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Energy: 0.2825215010395119
Energy: 0.11175279472960048
Energy: 0.19848250450641988
Energy: 0.5265516746466529
Energy: -0.01992347712322748
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Energy: 0.030914701565106343
Energy: 0.1073151251036913
Energy: 0.11579494495351379
Energy: 0.10731512853119751
Energy: 0.5406947039109372
Energy: 0.26699781843349546
Energy: -0.031429513411882194
Energy: 0.2659555411644671
Energy: 0.07849395439852738
Energy: 0.08626813847009943
Energy: -0.2151287373703314
Energy: 0.09022568505396328
Energy: 0.57586281584542
Energy: 0.4580312265463005
Energy: -0.01695371344961647
Energy: 0.4580312574041173
Energy: 0.3862505087893409
Energy: 0.11426197811578401
Energy: -0.3187308188590755
Energy: 0.11424168128960117
Energy: 0.9516035803229511
Energy: 0.09157755792509313
Energy: -0.03330269786795708
Energy: 0.08961238344900199
Energy: 0.5212228778767072
Energy: 0.5013509017177809
Energy: -0.21531855469814148
Energy: 0.5013508662602495
Energy: 0.7164286739770045
Energy: 0.5281611677488651
Energy: -0.023738758528144714
Energy: 0.5281587676819052
Energy: 0.4148362915441272
Energy: 0.11779568680866993
Energy: -0.3250451912275448
Energy: 0.11779568711852095
Energy: 0.4478831110224405
Energy: 0.26487549167113955
Energy: -0.027786670722941623
Energy: 0.2639409229654339
Energy: 0.06835271310070073
Energy: 0.531558423068221
Energy: 0.07745149097606423
Energy: 0.531558425226617
Energy: 0.35155579861839253
Energy: 0.48370925213061516
Energy: -0.02587431758604774
Energy: 0.4837092446499194
Energy: 0.03102575712239028
Energy: 0.3347147436652288
Energy: 0.10432819829368248
Energy: 0.3347608675295348
Energy: 0.28870416902238333
Energy: 0.08687448528781551
Energy: -0.01616782864653789
Energy: 0.0872369586346108
Energy: -0.006878983032271374
Energy: 0.5367696082802175
Energy: 0.12613493131651837
Energy: 0.5367696085922458
Energy: -0.06305008080678576
Energy: 0.390597160767432
Energy: -0.008698014304159644
Energy: 0.39059728562740226
Energy: -0.0332650377143972
Energy: 0.29956629966824894
Energy: 0.5383522501980348
Energy: 0.2987133618041632
Energy: -0.21778354357344673
Energy: 0.2960573021110741
Energy: 0.06926549405323242
Energy: 0.29099950192152285
Energy: -0.006435504824426302
Energy: 0.4665225410799317
Energy: 0.5624740622126185
Energy: 0.46652225571040756

minimum gb energy = -0.3250451912275448 eV
minimum distance =  2.23920783463908 Angstroms
sigma value = 113


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

Energy: 0.01668614259385725
Energy: 0.017656976077265327
Energy: -1.1571051258094307
Energy: 0.017656976077265327
Energy: 0.5007587655986386
Energy: -6.019205922030123
Energy: -6.024001520758451
Energy: -6.019205922031769
Energy: 0.016686142594280504
Energy: 0.017656976077265327
Energy: -1.145837196243166
Energy: 0.017656976077265327
Energy: 0.5007587655986386
Energy: -6.019205922030546
Energy: -6.0240015207600965
Energy: -6.019205922030946
Energy: 0.01668614259385725
Energy: 0.017656976077265327
Energy: -1.1472610543979531
Energy: 0.017656976076842072
Energy: 0.5007587655982388
Energy: -6.019205922030546
Energy: -6.024001520758027
Energy: -6.0192059220297

minimum gb energy = -6.0240015207600965 eV
minimum distance =  2.45135087692294 Angstroms
sigma value = 1