Model name: model_name=EAM_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.662545010447502
cohesive_energy=13.753385086681691
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-6.881380686562679e-27, 1.305272475423558e-18, 1.431131460907428e-18, 1.6149139382402997e-18, 1.77040518057e-18, 1.88178850016568e-18, 1.95888523979376e-18, 2.01355150654584e-18, 2.0540545318533598e-18, 2.0853290197490396e-18, 2.11017877934238e-18, 2.1301739437347e-18, 2.1463238842054197e-18, 2.1593656020061798e-18, 2.16987588072522e-18, 2.17830332982006e-18, 2.18506451521554e-18, 2.1904478287057797e-18, 2.19469359678588e-18, 2.19796203711924e-18, 2.20039734560292e-18, 2.20206360930228e-18, 2.2030409370490197e-18, 2.20336137237582e-18, 2.2030249152826796e-18, 2.20190339163888e-18, 2.19988464908004e-18, 2.19685653524178e-18, 2.19270689775972e-18, 2.1873876713348397e-18, 2.1809308994998198e-18, 2.17340066932002e-18, 2.16489311139348e-18, 2.1554562910192198e-18, 2.1450261211318798e-18, 2.133298188171e-18, 2.11977581738004e-18, 2.1038021163390598e-18, 2.08222079707908e-18, 2.0432558613402e-18, 1.97944116600798e-18, 1.88153215190424e-18, 1.73677549302234e-18, 1.5278660795384458e-18, 1.233073589765616e-18, 8.242814259537839e-19, 2.5166990566872e-19, -5.841600094629359e-19, -1.84694115837618e-18, -3.7607892129882e-18, -6.66015213693996e-18, -1.11832730141517e-17, -1.85671443584358e-17, -3.17593065451284e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.051672720664208124
Energy: -3.75543515626154
Energy: 0.05316759312386343
Energy: 0.05588716269058701
Energy: -3.900520139693666
Energy: 0.05268021279877871
Energy: -3.7554352239356037
Energy: -5.412585718863898
Energy: -5.417972479078204
Energy: -5.508041904305453
Energy: -5.486432547993031
Energy: -5.386249976871124
Energy: 0.05316759312983803
Energy: -5.417972481120563
Energy: -5.405799042768596
Energy: 0.052965030363666045
Energy: -5.440055715576884
Energy: -5.345567372332881
Energy: 0.05588716269357431
Energy: -5.508041902985611
Energy: 0.052965030363666045
Energy: 0.05794209747356635
Energy: -5.450515951822321
Energy: 0.05301982371699962
Energy: -3.9002344257944674
Energy: -5.48643322611869
Energy: -5.440055711408521
Energy: -5.4505159513744985
Energy: -5.481701094695405
Energy: -5.412902291793772
Energy: 0.05268021279579142
Energy: -5.3862539607815245
Energy: -5.345564739881223
Energy: 0.05301982371998691
Energy: -5.412902164095837
Energy: 0.0528953202024051

minimum gb energy = -5.508041904305453 eV
minimum distance =  2.58155522815096 Angstroms
sigma value = 1


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

Energy: 1.7503524007201845
Energy: -2.9585035540428044
Energy: 0.014718180805115506
Energy: 0.28081138517048776
Energy: -2.1953252593063306
Energy: 0.4466752980725444
Energy: 1.5504954786165124
Energy: 0.1690971849982636
Energy: 0.3468305398849689
Energy: 0.2673690844743658
Energy: -0.5205589923048739
Energy: 0.24004446731423182
Energy: 1.5257140941370348
Energy: 0.3204127734426326
Energy: 0.029461501211996918
Energy: 0.03875249574206991
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Energy: 1.627422711621079
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Energy: 0.11413418187089226
Energy: -2.213668749752855
Energy: 1.1740195787075807
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Energy: -2.9581344727434273
Energy: -0.10046472844934398
Energy: -0.08022189512401084
Energy: -0.13793597894493606
Energy: 1.1636586516502379
Energy: -0.25808927541394966
Energy: 0.06543413922695566
Energy: -0.2676538173289037
Energy: -1.1709990751027146
Energy: -0.3120490415993548
Energy: 1.4907085914661882
Energy: 0.3534768949096335
Energy: -0.48535032930460464
Energy: -0.33599061271952585
Energy: -0.4157711161811079
Energy: -0.1066503191042622
Energy: 1.5620950539899308
Energy: -0.46415174194205117
Energy: 0.2743291773376725
Energy: -0.10621850478250805
Energy: -0.3280799736161511
Energy: -0.07428117670195253
Energy: 1.463095879111452
Energy: 0.07264274383669102
Energy: 0.18789471039588482
Energy: 0.14645846988780403
Energy: -0.04132258404821672
Energy: 0.09345862776091032
Energy: 1.5119078205250922
Energy: 0.25719754205898937
Energy: 0.29396622810906453
Energy: -2.0788396639897537
Energy: -1.796326761423467
Energy: 0.31034347150109814

minimum gb energy = -3.402845348668221 eV
minimum distance =  2.30039480880705 Angstroms
sigma value = 33


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

Energy: 1.8766099317114893
Energy: -1.0144466896203606
Energy: 0.530082698051833
Energy: -0.25643292540296525
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Energy: -0.1471311807536314
Energy: 1.2870235711147422
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Energy: 0.12210719935237653
Energy: 0.554247490932382
Energy: 0.5021325323920518
Energy: -0.4571140734038139
Energy: 0.5475093172999467

minimum gb energy = -2.5796906624754286 eV
minimum distance =  2.35218800941008 Angstroms
sigma value = 51


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

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Energy: 1.607153459436275
Energy: -0.6186413055779719
Energy: -0.38167279328134257
Energy: 0.460044328508983
Energy: -0.7278251079662904
Energy: 0.19370788724079288

minimum gb energy = -1.5270045737881928 eV
minimum distance =  2.33292016237946 Angstroms
sigma value = 19


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

Energy: 1.5342983568060609
Energy: 1.4537284743433185
Energy: 1.0100029917985869
Energy: 0.1068512721962065
Energy: 1.4485519079325817
Energy: 0.7030637567969488
Energy: 1.318719384148458
Energy: 0.6606580601087237
Energy: 0.6675840509516546
Energy: -0.46824578479792683
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Energy: -0.6857366407167094
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Energy: 0.23459560507316887
Energy: 0.6782942420880252
Energy: 0.48354324121032505
Energy: 1.1164993163561443
Energy: 0.6584667675853121
Energy: 0.7315259134245211
Energy: 0.8149438979005944
Energy: 0.6961013720842826
Energy: 0.7322337954743275
Energy: 1.2721736971418083
Energy: 0.6451321808632287
Energy: 0.6420354312397203
Energy: 0.19130452934378234
Energy: 0.5981072627567725
Energy: 0.10151842167000916
Energy: 1.027698509421325
Energy: 0.6785877245428819
Energy: 0.6058659006523296
Energy: 0.454022686221669
Energy: 0.6836156128002939
Energy: 0.6061010725822873
Energy: 1.0064744010186266
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Energy: 0.6332155962444297
Energy: 0.21685193290083474
Energy: 0.6378127726276832
Energy: 0.6862836147297644
Energy: 0.9016731315369745
Energy: 0.33897210396202326
Energy: 0.6829974574398304
Energy: 0.6908877728245275
Energy: 0.33993984158901397
Energy: 0.6824636546754833
Energy: 0.5759042781347412
Energy: 0.7389737106159716
Energy: 0.7333586019590274
Energy: 0.6654152436249725
Energy: -0.2672259532420227
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Energy: 0.6000962152944596
Energy: 0.11841507385963107
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Energy: 0.22235367545242335
Energy: 0.12434813028894418
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Energy: 0.6314126772487567
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Energy: 0.6734809558554748
Energy: 0.6661342875290462
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Energy: 0.7003994862664015
Energy: 0.6833711055501559
Energy: 1.101794519950419
Energy: 0.690927339633474
Energy: 0.254219319991638
Energy: 0.7334252499557335
Energy: 0.6975120955543778
Energy: 0.2402509920018864
Energy: 1.299568814813776
Energy: 0.6771944070980299
Energy: 0.6004356828398466
Energy: 0.22262268109124256
Energy: 0.6824997510288776
Energy: 0.6147459771606365
Energy: 0.9822200118565634
Energy: 0.6898673549765105
Energy: 0.6448905024573386
Energy: 0.4257877393132475
Energy: 0.6762239075908256
Energy: 0.6451683665286918
Energy: 0.9006335583885441
Energy: -0.43724741384749927
Energy: -0.1865601990973466
Energy: 0.22620499420016052
Energy: -0.11098663221000885
Energy: -0.33305777229298783
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Energy: 0.5092543564538293
Energy: 0.7032012526383654
Energy: 0.827968240966244
Energy: -0.10985774378453844
Energy: 0.852326096204445
Energy: 0.5871003432514028
Energy: -0.18669145581890542
Energy: -0.2724621002806131
Energy: 0.6433955926777958
Energy: -0.2849990050216507
Energy: 0.6669706292656766
Energy: 0.5552393147845578
Energy: 0.19916350550947173
Energy: 0.11507226492195573
Energy: 0.57420093369354
Energy: 0.14426148475595932
Energy: 0.24603589468061188
Energy: 0.8529845655025552
Energy: 0.7792517194967884
Energy: 0.7844476462775133
Energy: 0.6855972515794336
Energy: 0.683377585137765
Energy: -0.01381221824684686
Energy: 1.0083436568928223
Energy: 0.3125332182584042
Energy: 0.10344670619497907
Energy: 0.6348172147388599
Energy: 0.27038310523560066
Energy: 0.6475525104211219
Energy: 0.6808805820248278
Energy: 0.6641212389125569
Energy: 0.6621651062572753
Energy: 0.68323639784488
Energy: 0.4473869598304799
Energy: 0.6352647497306476
Energy: 1.3034498707162419
Energy: 0.6838633331091517
Energy: 0.6864994260943708
Energy: 0.6375528792155597
Energy: 0.6707873031343228
Energy: 0.6323369113514075
Energy: 1.4849629794550179
Energy: 0.636257304329283
Energy: 0.6799468856587144
Energy: 0.27639792447078887
Energy: 0.6897007119047517
Energy: 0.6911158718545203

minimum gb energy = -0.6857366407167094 eV
minimum distance =  2.32444231412915 Angstroms
sigma value = 27


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

Energy: 1.2574636570695261
Energy: -0.9375137312038649
Energy: -0.517574877263936
Energy: 0.24365084549205177
Energy: -0.18912145374627487
Energy: -1.315849077372905
Energy: 0.1863763860620995
Energy: -0.3218921026472807
Energy: 0.2511835516933067
Energy: 0.03486218937814275
Energy: -0.678435177246185
Energy: -0.14749204255201806
Energy: 1.3090469591571197
Energy: 0.09723190297803026
Energy: -0.5082548859131728
Energy: 0.19046374883555656
Energy: 0.13276002166015582
Energy: -0.9301956821084824
Energy: 1.3188964212890413
Energy: -1.19052126041325
Energy: -1.1913537811940254
Energy: -1.2687352699289054
Energy: -0.13655409655718595
Energy: -1.1608254194378262
Energy: -0.8562714564204225
Energy: 0.5210325066597866
Energy: 0.00030575220088205704
Energy: -0.5110256080656539
Energy: 0.36765225664042706
Energy: -0.0005260544441546761
Energy: 0.7039368330885816
Energy: 0.5282666103078931
Energy: 0.5008953545713462
Energy: 0.29822304409978223
Energy: 0.5283067962077876
Energy: 0.3196316652504711
Energy: 0.6062300692073105
Energy: 0.2309661994151865
Energy: -0.7586541430491193
Energy: -0.13510672245857938
Energy: -0.9716102580665488
Energy: -0.7365216106532166
Energy: 0.9949175335885875
Energy: 0.30722625041191864
Energy: 0.6563028337910299
Energy: 0.7100862698924595
Energy: 0.24551027890151456
Energy: 0.7407650476755667
Energy: 0.2058537047839709
Energy: 0.30991665589174505
Energy: -0.5229199027313592
Energy: -0.4986323009412963
Energy: 0.4492769318655114
Energy: -0.4716936845901476
Energy: 0.6270616910121666
Energy: -0.7967028710247794
Energy: 0.5192416133958503
Energy: 0.2700786115173259
Energy: -0.7815865895991981
Energy: -0.9165827403353797
Energy: 0.8197394021002121
Energy: -0.591933860677281
Energy: -0.45980561623555993
Energy: 0.6758820882840421
Energy: -0.9591676715621443
Energy: -0.608587371257156
Energy: 1.4101013389929473
Energy: 0.11643930479926277
Energy: -0.2276415981366072
Energy: 0.3111956555212751
Energy: -0.815524330282555
Energy: -0.14381514129866008

minimum gb energy = -1.315849077372905 eV
minimum distance =  2.35561142758181 Angstroms
sigma value = 9


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

Energy: 1.9852949843819236
Energy: -1.3132488362095107
Energy: -2.1975391264284254
Energy: -1.5341880389025113
Energy: -0.5857946124598442
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Energy: 0.9473031739229458
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Energy: -0.11154366191044365
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Energy: 0.25420400609779187
Energy: -1.54901661767809
Energy: 0.08690990424985075
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Energy: 0.014447081379206438
Energy: 1.082973767112835
Energy: 0.3854506757476649
Energy: 0.36279282045901357
Energy: -1.1614515168416084
Energy: 0.32085752921490823
Energy: 0.18940630663024835
Energy: 0.7615007967791894
Energy: 0.02540111254062569
Energy: 0.7191934648309131
Energy: -1.738174447983629
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Energy: 0.3254068062123937
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Energy: 0.325728636613953
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Energy: 0.25519302243120634
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Energy: -0.1267767889634722
Energy: -0.018073390514128988
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Energy: -1.181505781756639
Energy: 0.2887394770481356
Energy: 0.6951189183611949
Energy: 0.19574834133535313
Energy: -1.3866067515745901
Energy: -0.70369343135614
Energy: -2.0781594551078415
Energy: 0.3688879179691203
Energy: 0.6692965314608755
Energy: 0.12305477348267845
Energy: -1.2110101911724869
Energy: -2.1515082014387605
Energy: -0.11827923836895807
Energy: -1.4902467559194907
Energy: 0.7749223221105751
Energy: 0.21879037872391754
Energy: -0.2512460923665043
Energy: -0.05436857944346574
Energy: 0.17680722703757068
Energy: -1.2875120610098154
Energy: 0.863401050136628
Energy: 0.02206669508128486
Energy: -0.1504660460617007
Energy: -0.6692467055960211
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Energy: 0.09578392074066122
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Energy: -0.9749292451556526
Energy: -0.9439339349033276
Energy: -3.030678860396999
Energy: -0.6235257896584627
Energy: 0.3288265627791077

minimum gb energy = -3.03630508842818 eV
minimum distance =  2.35259982811831 Angstroms
sigma value = 57


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

Energy: 0.6173555786368019
Energy: -0.5234785971170276
Energy: 0.2455794465968584
Energy: 0.22008232756613183
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Energy: 0.10250410049330136
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Energy: 0.2886724076342092
Energy: 0.22910826701062698
Energy: 0.2267800053449645
Energy: 0.19439401202836437
Energy: 0.21743297287591282
Energy: 0.2560335910739511
Energy: 0.36997957961093075
Energy: 0.07079943061421086
Energy: 0.22061683643679666
Energy: 0.19621876692632717
Energy: 0.21738096016645914
Energy: 0.13166835979601046
Energy: 0.20399968380845637
Energy: 0.18020990477727689
Energy: 0.23472015854081502
Energy: 0.27894605622030133
Energy: 0.2052303455311394
Energy: 0.2400742183041003
Energy: 0.2773470862136829
Energy: 0.16467851393496324
Energy: 0.22499965743445427
Energy: 0.17562322095094413
Energy: 0.1562792134831074
Energy: 0.171811939612585
Energy: 0.623842605597691
Energy: 0.18423636195963322
Energy: 0.19437732167084135
Energy: 0.25815960818688527
Energy: 0.16985719752082054
Energy: 0.09486077143701711

minimum gb energy = -0.5234785971170276 eV
minimum distance =  2.40770529847213 Angstroms
sigma value = 11


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

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Energy: -2.064331773398945
Energy: -1.491613895296223
Energy: -1.6435105867656867
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Energy: -2.336065422026861
Energy: 0.7679571839285394
Energy: 1.0170136576145048
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Energy: -2.8849091579493242
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Energy: -2.831397351790188
Energy: 0.8097260201909938
Energy: -3.1054811284266135
Energy: 0.25127292236785764
Energy: -4.2240456284177945
Energy: -3.071337462136787
Energy: 0.24280762167393627
Energy: 0.6028086389168883
Energy: -2.7180542013177913
Energy: 0.26710895496477133
Energy: -2.967683357763312
Energy: -3.2073546414160994
Energy: -3.5443559871925454
Energy: 0.6493741055364628
Energy: 0.08917534261481003
Energy: -2.6570468452925
Energy: -3.350347921772006
Energy: -3.609941816232528
Energy: -3.2602287175780345
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Energy: -0.02713643402106393
Energy: -2.863309894522534
Energy: 0.3834536025849254
Energy: -3.0636347885882595
Energy: -2.4575006837833735

minimum gb energy = -4.300939154089752 eV
minimum distance =  2.32409037982528 Angstroms
sigma value = 41


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

Energy: 1.523057614215539
Energy: -0.05929860627940734
Energy: -1.1912375092843785
Energy: -2.3200289675518784
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Energy: -0.6110506898909751
Energy: 0.4502576188816072
Energy: -1.1719514753742097
Energy: -0.9010556319036221
Energy: 0.41926734797111576

minimum gb energy = -2.355781766617881 eV
minimum distance =  2.3360328630003 Angstroms
sigma value = 33


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

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Energy: -1.1543040603999248
Energy: 0.14962569920713864

minimum gb energy = -3.066630476875658 eV
minimum distance =  2.29217267424617 Angstroms
sigma value = 67


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

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Energy: -0.5494279243323112

minimum gb energy = -0.8171498389389003 eV
minimum distance =  2.36839352689441 Angstroms
sigma value = 3


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

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Energy: -2.87664165291826

minimum gb energy = -5.364595164414887 eV
minimum distance =  2.35326357648073 Angstroms
sigma value = 81


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

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Energy: -0.6013887674565
Energy: -0.5978343111776468
Energy: -1.9972511485363365
Energy: -0.6647415486889258
Energy: -0.7981676853924656
Energy: -1.374341224462332
Energy: -0.13973489568128292
Energy: -0.24398381561594076
Energy: -1.8416430557010484
Energy: -0.32471774281460664
Energy: -0.6282988363781125
Energy: -1.7834649505867
Energy: -0.3263012106453814
Energy: -0.5333633592310592
Energy: -1.6415864521248889
Energy: -3.2417970261699334
Energy: -1.095569023775794
Energy: -1.695031649162576
Energy: -1.8956936481092486
Energy: -3.0876226360203067
Energy: -1.0515296793627609
Energy: -0.2922805339035937
Energy: -0.11754208210363966
Energy: -0.46903666998503923
Energy: -0.884906518339257
Energy: -0.13726028899259501
Energy: -1.7743456077578839
Energy: -2.1595480342075564
Energy: -2.3739474131330933
Energy: -3.1034346864953575
Energy: -1.2578451741290757
Energy: -2.109136949820563
Energy: -1.1080925771683632
Energy: -0.6339970148173029
Energy: -1.2104045518811826
Energy: -1.4057782332619115
Energy: -0.7889804825490117
Energy: -2.223505434697779
Energy: -0.9009841617586688
Energy: -2.2699019223614254
Energy: -0.7448491713186499
Energy: -1.2271701421805605
Energy: -1.9381598366264965
Energy: -2.3049334572363156
Energy: -1.7645747394141336
Energy: -1.9247731326946516
Energy: -0.8574069023916063
Energy: -1.2679602090725284
Energy: -1.5965189553363295
Energy: -1.4016462154993885
Energy: -0.7245985562025656
Energy: -0.12071123749508123
Energy: -0.1693582814467453
Energy: -0.9512834473880557
Energy: -0.01578856389450253
Energy: -1.0452046493925633
Energy: -0.8725764370094125
Energy: -2.2834343222497955
Energy: -2.423468501139548
Energy: -2.374081509289537
Energy: -1.7245624763031495
Energy: -1.7409941358063958
Energy: -1.1484248985943857
Energy: -1.69023127412569
Energy: -0.38063707068213076
Energy: -0.4595183812026084
Energy: -1.8046491542823981
Energy: -0.151877339337606

minimum gb energy = -3.3478623470784843 eV
minimum distance =  2.41081838835108 Angstroms
sigma value = 43


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

Energy: -0.46117773080640184
Energy: -0.8556944261140812
Energy: -0.9419786632490692
Energy: -0.5806670579669313
Energy: -0.49439076584508157
Energy: -0.9321031369572024
Energy: -0.8045622986291812
Energy: -1.5956081439478291
Energy: -1.403691842213541
Energy: -1.2922937543747253
Energy: -1.754405133059657
Energy: -1.570243696956639
Energy: -0.7985828752051193
Energy: -0.5794294467745437
Energy: -0.9492867988864567
Energy: -1.3900892669759586
Energy: -1.2175349121046173
Energy: -1.2168441695990073
Energy: -0.989111579655464
Energy: -1.1196852718091574
Energy: -1.4606629869615304
Energy: -0.8391878732166075
Energy: -1.2248038825638925
Energy: -0.7845703222337006
Energy: -0.6698784988588373
Energy: -0.9019831430423171
Energy: -0.8262065336210139
Energy: -0.824931151169755
Energy: -0.821662724584268
Energy: -0.8328470121183303
Energy: -1.1288955517530532
Energy: -0.9113978529919086
Energy: -0.8875360968706761
Energy: -0.9418183491544461
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Energy: -0.9541289470634348
Energy: -0.8180097123646156
Energy: -1.4910201965773247
Energy: -1.4363102356406774
Energy: -0.9420846356087844
Energy: -1.5579415786803443
Energy: -0.9793090529277457
Energy: -0.8870428409099161
Energy: -1.4059347177442607
Energy: -1.4180260042829806
Energy: -0.8820745605223925
Energy: -1.3788212180867025
Energy: -1.3220993513518846
Energy: -1.0102078300650241
Energy: -0.804638726919746
Energy: -0.9868681300353348
Energy: -1.3969330487298177
Energy: -1.1645566059046597
Energy: -1.0300095608535058
Energy: -0.9389139973465511
Energy: -0.6688060566942253
Energy: -0.68681281156229
Energy: -1.123183960702614
Energy: -0.36982713584780524
Energy: -0.7945486749583034
Energy: -0.9751254326074178
Energy: -1.1331256232183902
Energy: -1.256207798686887
Energy: -0.8229501980792565
Energy: -1.1383967935179542
Energy: -1.2469191918243683
Energy: -0.7135692649519072
Energy: -1.2641699686087473
Energy: -1.3803883567202446
Energy: -1.4667865942647735
Energy: -1.3116632120515987
Energy: -1.324882849824342
Energy: -0.7547994971352968
Energy: -1.4607912683180784
Energy: -1.3257004188696728
Energy: -0.8814156577289459
Energy: -0.9182570617895793
Energy: -1.2095646740595547
Energy: -1.0550838923424302
Energy: -1.7419403591089526
Energy: -1.4615450618861452
Energy: -1.712174572048915
Energy: -1.844090289629335
Energy: -1.742997144787113
Energy: -1.0769944745756976
Energy: -1.1148811388301607
Energy: -1.075421338278786
Energy: -1.5132693835300923
Energy: -0.8798756148475704
Energy: -1.0551286522208103
Energy: -1.204025615037999
Energy: -1.5096092881179082
Energy: -1.7029176216473483
Energy: -1.298570439920842
Energy: -1.9714996389531643
Energy: -1.5353978723817903
Energy: -0.6735955581316049
Energy: -1.2322892011450737
Energy: -1.205651413557148
Energy: -1.2688928348839084
Energy: -0.8357707898091381
Energy: -0.5068050673019341
Energy: -0.8185772780571489
Energy: -0.800671425880588
Energy: -0.8493874316022456
Energy: -1.1433924804218334
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Energy: -1.820912573398054
Energy: -0.5888534095872533
Energy: -0.7868703020039616
Energy: -0.5102759234863794
Energy: -1.554943280040783
Energy: -0.941312686354708
Energy: -1.0655593897120363
Energy: -0.6190015320118808
Energy: -0.893126896099811
Energy: -1.1163108611208838
Energy: -1.0033974097813199
Energy: -0.7720251598546368
Energy: -0.736614565360872
Energy: -1.02287252232553
Energy: -1.1919292105284254
Energy: -1.2246406353120312
Energy: -1.1003023197931283
Energy: -0.9075510212884654
Energy: -1.0774759561886833
Energy: -0.8178233713827369
Energy: -0.8042705236140522
Energy: -0.9047429606587497
Energy: -0.9702390235543632
Energy: -0.3860213218259127
Energy: -1.1019167569109756
Energy: -1.1035837594052604
Energy: -1.497943299168014
Energy: -1.8193581659146063
Energy: -1.782823179959772
Energy: -0.9619182620009841
Energy: -1.319977008983366
Energy: -0.9452991278840828
Energy: -1.0411413023312104
Energy: -0.9450835284260765
Energy: -0.1545634559900898
Energy: -1.0373368923967239
Energy: -1.0808757260958854
Energy: -0.985588295784135
Energy: -1.2623669211379034
Energy: -1.0321475572729146
Energy: -1.4752676140835874
Energy: -0.6430259416511366
Energy: -1.215968024888913
Energy: -1.140860728519344
Energy: -1.5682362594080896
Energy: -0.9783939974016399
Energy: -1.1879733906131895
Energy: -1.1638186032034947
Energy: -0.7524482021001303
Energy: -1.1880723149164951
Energy: -0.9140539470876311
Energy: -1.1721244034559455
Energy: -1.5114649510180718
Energy: -1.623823806218514
Energy: -1.054114920138039
Energy: -1.0379388809228058
Energy: -2.170211466506804
Energy: -1.6799512669221175
Energy: -1.445523391544826
Energy: -2.2791176003293563
Energy: -1.9079469984181558
Energy: -0.9376146708055118
Energy: -0.5581937574565886
Energy: -0.875856985525426
Energy: -1.1759881076661236
Energy: -0.3612190384333229
Energy: -0.9927454548800865
Energy: -1.0276330012496546
Energy: -1.0491512176274718
Energy: -1.1411928942636984
Energy: -1.3871219695846828
Energy: -1.1815927457293862
Energy: -1.2479835233449361
Energy: -0.14892421910520776
Energy: -0.5499042733021006
Energy: -0.9588287273231403
Energy: -1.022657197964201
Energy: -0.45154008858842454
Energy: -0.9985524155810775

minimum gb energy = -2.2791176003293563 eV
minimum distance =  2.34130866091299 Angstroms
sigma value = 57


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

Energy: -0.9333141570264705
Energy: -1.5922745098617541
Energy: -1.7782656795435154
Energy: -0.07979479299160569
Energy: -1.3799950769211793
Energy: -1.4679987484822217
Energy: -2.2734555457302394
Energy: -1.5413717600013401
Energy: -1.5712540545021523
Energy: -1.2056824441017897
Energy: -1.5924306727273245
Energy: -1.4453789385219467
Energy: -1.5132254745675955
Energy: -1.4328439153698822
Energy: -1.3713318620019654
Energy: -1.4628180404988964
Energy: -1.3480082657762862
Energy: -1.32830738257096
Energy: -1.3993285653014256
Energy: -1.0363148062783734
Energy: -0.3066229490780016
Energy: -1.4306115068031602
Energy: -1.2960504001156723
Energy: -1.2693870283718365
Energy: -2.08767906580881
Energy: -1.352479221032506
Energy: -1.3175143695259806
Energy: -1.6641023374744393
Energy: -1.5591429835934065
Energy: -1.6850387196599323
Energy: -1.368964241221089
Energy: -1.5118836289763036
Energy: -1.6089782002709985
Energy: -0.6542449697935412
Energy: -1.5111848891361932
Energy: -1.8091230699728453
Energy: -1.7671499524669672
Energy: -1.5942397803015518
Energy: -1.7351952866929778
Energy: -1.311407608454698
Energy: -1.6313029997449848
Energy: -0.8382279725267279
Energy: -0.6197585545749401
Energy: -1.6840659824835873
Energy: -1.7144262825843675
Energy: -1.1857117005505067
Energy: -1.7978195257425247
Energy: -1.7267207667858793
Energy: -1.937774436430622
Energy: -1.1704433418239053
Energy: -1.2281014957268137
Energy: -1.3455002985765165
Energy: -1.4138639499967556
Energy: -1.2379544160081661
Energy: -1.56660295615941
Energy: -0.8368959607532147
Energy: -0.9938235922553988
Energy: -2.032932089328558
Energy: -1.1834271958503473
Energy: -0.6707149133388511
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Energy: -1.5469842018689837
Energy: -1.787771418023749
Energy: -1.5922546883188997
Energy: -1.9109814588218952
Energy: -1.8784494183140035
Energy: -1.0825836303457004
Energy: -1.287511032692903
Energy: -1.8241846844107785
Energy: -2.0763474023400366
Energy: -1.592878939259839
Energy: -1.7500502532975541
Energy: -1.3395506105958166
Energy: -1.6303767872144854
Energy: -1.5339328775175012
Energy: -0.9508440323062967
Energy: -1.695624246695745
Energy: -1.4985069653503988
Energy: -2.0555545032563196
Energy: -1.275743589407655
Energy: -1.0342314406017734
Energy: -1.088486117549256
Energy: -1.3674856652846206
Energy: -1.4206200608841133
Energy: -1.761488946671279
Energy: -1.9832472327034463
Energy: -1.957648559617312
Energy: -1.5137591556594456
Energy: -0.3800241231614172
Energy: -1.1101527416682788
Energy: -2.224214118011027
Energy: -2.08225345377157
Energy: -1.6819267199640848
Energy: -1.744048747938078
Energy: -0.16560193146706537
Energy: -0.5835975940174459
Energy: -2.043221153988728
Energy: -1.8104957271342803
Energy: -1.0130007348613326
Energy: -1.6825853937617454
Energy: -1.0952822917996354
Energy: -1.7847068432823745
Energy: -2.0368650735564677
Energy: -1.6203877318637718
Energy: -0.9743287433286226
Energy: -1.3832183022266307
Energy: -1.7022481666084155
Energy: -0.7644473602796228
Energy: -1.9600195098878879
Energy: -1.5667363526731346
Energy: -1.1269064239276125
Energy: -0.6328799776448173
Energy: -1.5912846853964846
Energy: -0.7880976842782205
Energy: -1.8298726309353002
Energy: -1.6126359289670875
Energy: -1.6307453585958631
Energy: -1.175769657260002
Energy: -1.5347548965586537
Energy: -1.609517040157594
Energy: -2.1153758430116403
Energy: -1.4413317383085738
Energy: -1.563061644493192
Energy: -1.2631383074224256
Energy: -1.424536657751772
Energy: -1.1307468261131957
Energy: -1.6448639039167796
Energy: -1.3083690040488456
Energy: -1.1181247665559781
Energy: -1.2098626108255424
Energy: -1.1729199986817678
Energy: -0.8835192071461914
Energy: -2.0840533070255094
Energy: -1.4062380510136143
Energy: -1.7529954304299702
Energy: -1.1638080759595302
Energy: -1.57843973199719
Energy: -1.795298307176033
Energy: -1.2797497525169905
Energy: -1.5605748013263325
Energy: -1.5315405355409082
Energy: -1.0765086528929526
Energy: -1.4721059191135466
Energy: -1.5167871076894937

minimum gb energy = -2.2734555457302394 eV
minimum distance =  2.38134744597053 Angstroms
sigma value = 17


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

Energy: -1.4556995475615686
Energy: -1.8115986676169562
Energy: -1.829438226787718
Energy: -0.5483106645062593
Energy: -1.6700432629894564
Energy: -2.488162332005293
Energy: -2.3592015336778034
Energy: -1.5303988542448201
Energy: -1.8178175803011776
Energy: -1.4918938161685238
Energy: -1.326148775795856
Energy: -1.8871015749120068
Energy: -2.07154567384051
Energy: -1.5320431134813737
Energy: -1.3326895006819603
Energy: -1.704488382264853
Energy: -0.2682112668174529
Energy: -1.1986077060041587
Energy: -2.694195461224315
Energy: -1.43529672540214
Energy: -1.6117737693450147
Energy: -1.5986829204735502
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Energy: -1.6589476102858407
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Energy: -1.4302422784949678
Energy: -1.4150029287596708
Energy: -1.3979078714758424
Energy: -1.6315724100503697
Energy: -1.852599877409518
Energy: -1.4119316429346755
Energy: -1.4986330376990464
Energy: -2.180457612721187
Energy: -1.7251711654990798
Energy: -2.7151927393535042
Energy: -1.525842741542862
Energy: -1.8157892228366954
Energy: -1.7029107586528476
Energy: -1.6595214820667192
Energy: -1.5813199274055603
Energy: -1.5723694048461658
Energy: -2.477495709166416
Energy: -2.043521044491689
Energy: -2.4851878806942382
Energy: -2.18354212739727
Energy: -1.6127071866877227
Energy: -1.7530934774125517
Energy: -2.944494520798568
Energy: -1.3903125738540156
Energy: -1.7653144177470512
Energy: -2.1080805294313403
Energy: -1.4773363363745038
Energy: -1.4919791184452502
Energy: -1.9714584759503937
Energy: -1.3983804736887775
Energy: -1.8837008676802844
Energy: -1.7374970199379016
Energy: -1.7378820592997186
Energy: -1.6803159611351495
Energy: -2.299221987584431
Energy: -1.7954039922046323
Energy: -1.570647326759993
Energy: -1.3484646834299991
Energy: -1.7383126312812196
Energy: -1.397027634383953
Energy: -1.0672994959994258
Energy: -1.7141979209274505
Energy: -1.6886435354631986
Energy: -1.3326371884108184
Energy: -1.6242163617311831
Energy: -1.5370145932199524
Energy: -1.7710413020355165
Energy: -1.8972816860765114
Energy: -1.9404929484898217
Energy: -1.8099428821674781
Energy: -1.945966571017811
Energy: -1.6362992829308276
Energy: -2.093976374453049
Energy: -1.6975649949751237
Energy: -1.83909951928324
Energy: -1.7098185538399207
Energy: -2.0684387303812324
Energy: -1.4800568798295297
Energy: -2.309702423324705
Energy: -1.5382826962808447
Energy: -1.828505416929839
Energy: -1.7348092554498085
Energy: -1.269325675806604
Energy: -1.8404294332930282
Energy: -1.0857927551943385
Energy: -1.7186315029492383
Energy: -1.8761879909331793
Energy: -1.5717586398234489
Energy: -1.9601387135653392
Energy: -1.6406511586270105
Energy: -1.1586954526096989
Energy: -1.8976478133424304
Energy: -1.69135930212875
Energy: -1.1797730083311233
Energy: -1.9163925298427056
Energy: -1.5637817226171231

minimum gb energy = -2.944494520798568 eV
minimum distance =  2.24301783237138 Angstroms
sigma value = 17


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

Energy: -2.724768201339124
Energy: -1.7609036975861372
Energy: -1.6153209773130752
Energy: -1.0371453010998863
Energy: -2.4982948584775424
Energy: -0.4325841192369479
Energy: -3.026621250089698
Energy: -2.6681978648134193
Energy: -2.851100212541006
Energy: -2.8856777017542226
Energy: -2.710795179184395
Energy: -2.57679366272212
Energy: -2.9945987587707386
Energy: -2.113663105274839
Energy: -2.2851064451473815
Energy: -2.3953653991499566
Energy: -2.7625505734635722
Energy: -1.970918679139033
Energy: -2.5254956099025945
Energy: -1.8911658844237456
Energy: -2.0650202604330485
Energy: -2.922078048296972
Energy: -2.6049715857093583
Energy: -1.9038741104941153
Energy: -1.911117188366218
Energy: -2.1111212111037903
Energy: -1.7472421017782354
Energy: -2.031220887479847
Energy: -2.1634675447009877
Energy: -2.012645501651945
Energy: -2.614567418396342
Energy: -1.9691929404933377
Energy: -2.306369695072507
Energy: -2.9960704654107033
Energy: -2.177554173802081
Energy: -2.29823088280234
Energy: -2.2003116479533515
Energy: -2.7204703068185063
Energy: -2.4063034080337653
Energy: -2.5528266575670715
Energy: -2.969247341124154
Energy: -2.231736509385741
Energy: -3.4283246265484686
Energy: -2.695292656110381
Energy: -3.218731453016057
Energy: -2.096540361103246
Energy: -1.619970831161149
Energy: -2.9844063587943808
Energy: -4.324793084155898
Energy: -2.222625238617076
Energy: -2.348720342015595
Energy: -2.548454145906324
Energy: -2.5779827038975722
Energy: -2.1726004470350353
Energy: -3.591335110219151
Energy: -4.742466791705213
Energy: -3.219792497764639
Energy: -2.479924085522586
Energy: -2.6156231305638604
Energy: -2.5078112761947535
Energy: -2.7387412643823947
Energy: -1.7946105779807513
Energy: -2.3160057791150734
Energy: -2.8805910257762117
Energy: -1.9657624755254899
Energy: -1.7929022757716109
Energy: -1.0014698340817536
Energy: -2.090171093501403
Energy: -3.00940944214689
Energy: -2.940332616400463
Energy: -2.306094554210708
Energy: -2.145562941820504
Energy: -2.8157873166739016
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Energy: -2.0021500123608105
Energy: -2.253081422156054
Energy: -2.277251710869619

minimum gb energy = -4.742466791705213 eV
minimum distance =  2.30341761967724 Angstroms
sigma value = 57


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

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Energy: -2.9933343366977585
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Energy: -2.631933452293551
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Energy: -3.0854858063265804
Energy: -3.3241052724392484
Energy: -3.1840787072365084
Energy: -4.095291089564333
Energy: -0.8336966491678769
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Energy: -3.328639496044886
Energy: -3.5847916407211247
Energy: -3.2392676846888935
Energy: -4.015948251856263
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Energy: -3.6014543633648763
Energy: -2.31161872738801
Energy: -2.9365581679445367
Energy: -3.617159534853605
Energy: -1.6063685055019892

minimum gb energy = -5.990453053101238 eV
minimum distance =  2.33782823211177 Angstroms
sigma value = 43


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

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Energy: -2.918650515726582
Energy: -2.652592264685107
Energy: -4.364160247023475
Energy: -2.2882690722879806
Energy: -2.41140111077632
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Energy: -2.8888235201235157
Energy: -2.7961729927869388
Energy: -2.479901783768944
Energy: -2.468621298117307
Energy: -2.7009761337761136

minimum gb energy = -4.421516416022739 eV
minimum distance =  2.34046377746132 Angstroms
sigma value = 81


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

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Energy: -0.0006933787504986367
Energy: -0.011149581145428505
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Energy: -0.0029487027774589064
Energy: -0.03247887584813448
Energy: -0.037943994561262614
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Energy: -0.0020563694502293882
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Energy: 0.02932976398171075
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Energy: -0.002482597723904138
Energy: 0.030330092724534918
Energy: -0.019575383632254372
Energy: 0.057676732956700144
Energy: -0.007859729982446613
Energy: -0.0060085996087506435
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Energy: 0.0003713408038783953
Energy: -0.005430178414977154
Energy: -0.03990907136216104
Energy: -0.044654022818104086

minimum gb energy = -0.07045855946981583 eV
minimum distance =  2.45631583368451 Angstroms
sigma value = 3


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

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Energy: -0.5593516507657497
Energy: -0.45229668390921046
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Energy: -2.512000662333499
Energy: -1.9704484077433064
Energy: -2.6341684262648424
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Energy: -2.1555420866977126
Energy: -2.084546192686395
Energy: -3.1117817560112533
Energy: -1.5611315117140148

minimum gb energy = -4.3057629484449835 eV
minimum distance =  2.29875245936371 Angstroms
sigma value = 67


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

Energy: 0.38741419279353456
Energy: -3.021757958250883
Energy: 0.5247220626470182
Energy: 0.4523647403795132
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Energy: -3.937579003899415
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Energy: 0.3642248313265923
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Energy: -3.4997502832480496
Energy: -3.439146564636677
Energy: -2.5353226257506156
Energy: -2.9618484000023515
Energy: -3.5507076720378254

minimum gb energy = -4.902117099895379 eV
minimum distance =  2.32164343439847 Angstroms
sigma value = 33


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

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Energy: -2.0491750860513513
Energy: -2.3216355420091435
Energy: -1.2020950342409635
Energy: 0.5706877392149463

minimum gb energy = -3.0161778053207615 eV
minimum distance =  2.31979837823786 Angstroms
sigma value = 41


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

Energy: 0.6418521968290472
Energy: -0.8163539839923523
Energy: 0.6837899564911649
Energy: 0.8856011724484905
Energy: 0.9382626972307372
Energy: 0.7476939797161131
Energy: 0.6495097095799997
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Energy: -1.2195912971311271
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Energy: -0.7298236110377582
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Energy: 0.0993512031141136
Energy: 0.6914725897842454
Energy: -1.0450189015305613
Energy: -1.5137867020358013
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Energy: -0.9967126889671268
Energy: 0.6782247726133726
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Energy: -1.3142879845225053
Energy: -0.013244394403866357
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Energy: 0.6158926143489977
Energy: -0.19295767221512725
Energy: -0.24305525545182405
Energy: -0.9709633100869656
Energy: -1.173947450682305
Energy: -1.3951628863943266
Energy: 0.8880473938072431
Energy: -0.4509712463022781
Energy: -1.7563484660647106
Energy: 0.06513091809004275
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Energy: -1.318223112598821
Energy: 0.9240041448586879
Energy: -2.040156778099211
Energy: -0.07653025337185866
Energy: -0.2984677100240202
Energy: -1.7107480459877284
Energy: -0.30411655426803397
Energy: 0.6049994139416661
Energy: -1.8695204088345396
Energy: -1.1540465674508573
Energy: -2.0903956886549606
Energy: -1.8435839400578216
Energy: -2.140902295481199
Energy: 0.631142378253731
Energy: 0.5458614722245185
Energy: 0.2702507363737634
Energy: -2.1108623829260496
Energy: 0.5198195972742576
Energy: -0.9277315736960937
Energy: 0.6208302044263179
Energy: 0.43904742837832644
Energy: -1.364561130692584
Energy: -1.9814421063406855
Energy: -0.025692287562659778
Energy: -1.7061885819465883
Energy: 0.9583095177830128
Energy: 0.9021347767705584
Energy: 0.9060411135217569
Energy: -0.8632669180782968
Energy: -1.96810482670257
Energy: 0.8848833297084165
Energy: 0.8689551551842701
Energy: 0.5045324959188789
Energy: -1.3653686000002867
Energy: -0.3268285467122858
Energy: 0.45026610561215474
Energy: -1.941016110080583
Energy: 0.6597812338288345
Energy: 0.24994013747488006
Energy: 0.5382191228623311
Energy: -1.1485788710241644
Energy: 0.2932455423573711
Energy: 0.35539882064407563

minimum gb energy = -2.4019176319928945 eV
minimum distance =  2.31038676407004 Angstroms
sigma value = 11


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

Energy: -1.101220007507027
Energy: -0.2784616151506948
Energy: 0.7664472762427063
Energy: 0.4019073393203629
Energy: -1.0026063966536962
Energy: 0.3412775738610436
Energy: 1.146487014556688
Energy: -0.6543771970578875
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Energy: 1.1357485698387542
Energy: -1.0013875896648605
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Energy: 0.7856864458278433
Energy: -2.0857275049713038
Energy: -1.0955380327663526
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Energy: 0.7822882029348435
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Energy: 0.370043056553934
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Energy: -1.5464050182459712
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Energy: -0.9862326375936923
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Energy: -1.562072569112832
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Energy: 0.09457566656140247
Energy: -1.2700436809839573
Energy: 0.7576907735039453
Energy: -2.1937330978243756
Energy: -1.8888749007729335
Energy: -0.6635205541743974
Energy: -1.3868616856542562
Energy: -0.6722111343812663
Energy: 0.7700555346632677
Energy: -1.7541481468884823
Energy: -1.677001317067419
Energy: -0.7779717386766517
Energy: 0.17318631829757017
Energy: -0.07115537986752296
Energy: 0.7661229470093013
Energy: -1.6051776594351042
Energy: -1.6053677817728154
Energy: -0.5572589617749675
Energy: -0.6586625949968196
Energy: -1.2442958376365427
Energy: 1.1813447830732062
Energy: -1.08808643975515
Energy: -1.0564216523429393
Energy: 0.19281159424494718
Energy: -2.190061294012292
Energy: -0.6930521869421737
Energy: 1.1930544890486199
Energy: -1.5005090347345202
Energy: -1.0120722601459466
Energy: -0.13007340213955318
Energy: -1.0195510420083245
Energy: -1.6642607004833763
Energy: -1.5688109682423172
Energy: -1.406647471185811
Energy: -1.1835551986349349
Energy: -1.5387169250297021
Energy: -0.6814354727418687
Energy: -1.117945517363575

minimum gb energy = -2.1937330978243756 eV
minimum distance =  2.33510568329974 Angstroms
sigma value = 57


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

Energy: 1.6908057832003012
Energy: 0.26153163248347555
Energy: 1.1369184614938472
Energy: 1.015067439669982
Energy: 1.0480073498518214
Energy: 1.1346280509341409
Energy: 1.1035923944178276
Energy: 0.17575465839880403
Energy: -0.15710712273702998
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Energy: -1.7290458087058032
Energy: -0.3013301639612158
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Energy: -0.6755184369889651
Energy: -0.6613686802428759
Energy: 0.32006257254262555
Energy: -0.7777593998691663
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Energy: -0.05973223922556102
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Energy: 0.9032604027227448
Energy: 0.8614664120752732
Energy: 0.8740365174563899
Energy: -0.39552903565259295
Energy: 0.8507232958925991
Energy: 0.8861622100886793
Energy: 0.9074549817761003
Energy: -0.09230788610940878
Energy: -0.580698668842388
Energy: -0.7357899515980293
Energy: -0.4623478292763115
Energy: -0.8195076852731312
Energy: 1.248658804421884
Energy: -0.1817196086842702
Energy: -0.48982652543242927
Energy: 0.6533224711153658
Energy: -0.22382058143493602
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Energy: 0.963170402877264
Energy: -0.2122582113143038
Energy: -0.1874672883276956
Energy: -0.23160004075393292
Energy: -0.3240729477708523
Energy: -0.6127088679965643

minimum gb energy = -1.7290458087058032 eV
minimum distance =  2.34906081813701 Angstroms
sigma value = 9


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

Energy: 0.2938626820514779
Energy: -1.2557733416250583
Energy: 0.7141391658148128
Energy: 0.43869460708651886
Energy: -1.6492661057143292
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Energy: -0.009246473326884821
Energy: -1.0636464553712717
Energy: -0.6922671383803979
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Energy: 1.4148030581422875
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Energy: -0.30909021796629316
Energy: 0.5736217377831215
Energy: -1.7173334002040563
Energy: 0.6426851727297951

minimum gb energy = -2.616394688723479 eV
minimum distance =  2.29834175462034 Angstroms
sigma value = 27


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

Energy: 1.5077596402529265
Energy: -1.7570724830315576
Energy: 0.6087245184853463
Energy: 0.6832334782279295
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Energy: 0.6935252897366233
Energy: 1.3025186660348773
Energy: -1.7403055715578908
Energy: -1.3938676037507864
Energy: -2.4755000516984422
Energy: 0.48664515843854383
Energy: -1.3773451725538297
Energy: 1.323120221143161
Energy: -0.4956660138956458
Energy: -0.4187502021434175
Energy: -0.8565858423732309
Energy: -1.78744152262047
Energy: -0.9268889318807526
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Energy: -1.7314311048541697
Energy: 1.0559351723706814
Energy: -2.476930511418052
Energy: 1.033944823577589
Energy: 1.0481205202060346
Energy: 1.3374728836980951
Energy: -2.812338924676887
Energy: -2.0358729711984993
Energy: -1.0373322247999273
Energy: -1.9839423989046194
Energy: -1.7116811400742242
Energy: 1.2937170827010802
Energy: 0.3931895296610561
Energy: 0.1501098004090293
Energy: -2.454148018624
Energy: -3.3006553571977992
Energy: -1.7873597645699737
Energy: 1.406083719498301
Energy: -2.6360306545441836
Energy: -2.6916652215765406
Energy: 0.2888844390227879
Energy: -2.2176302201241276
Energy: 0.6018442251226139
Energy: 1.411892046212865
Energy: -0.12405864328847564
Energy: -0.8635593926791976
Energy: -1.5365643787443037
Energy: -1.5388422354067808
Energy: -1.2059752971452091
Energy: 1.276808850758422
Energy: -0.8285591615148571
Energy: -1.0080203024508088
Energy: 0.9733468711758836
Energy: 0.5456023767671431
Energy: -2.660525717243435
Energy: 1.5201843909326629
Energy: -0.15411079472265596
Energy: -0.6946855522225621
Energy: 0.9098459473938191
Energy: -0.8970229612313363
Energy: -1.7974426728960262
Energy: 1.4484675679732915
Energy: -1.6320008097530994
Energy: -2.15102129971949
Energy: -2.953401339507452
Energy: 0.6813531415280011
Energy: 0.847994440717637
Energy: 1.1740700471116339
Energy: -2.2208750316925934
Energy: -2.9857725815590945
Energy: 0.3241149010108815
Energy: -3.4156724270178827
Energy: 0.5298197499803896

minimum gb energy = -3.4156724270178827 eV
minimum distance =  2.24827611067297 Angstroms
sigma value = 19


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

Energy: 0.2834419267590888
Energy: 0.09250349992007674
Energy: 0.15638523454739428
Energy: -1.3615717594941141
Energy: -0.8095971593446286
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Energy: -0.789423992201927
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Energy: -0.9761348643143652
Energy: -1.063602227750267
Energy: -0.6959313228561027
Energy: -1.0178842477838375
Energy: 1.1872038574853006
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Energy: -1.6375373896052436
Energy: -0.9723146742102774
Energy: -1.1122478463479413
Energy: -1.0585013520852773
Energy: 1.0060152656451145
Energy: 0.2298526453919447
Energy: -1.309960655037045
Energy: -1.2674892385679284
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Energy: -0.8567085660352495
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Energy: -0.04686621851856885
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Energy: -0.011101270676255161
Energy: -0.35296159345193157
Energy: -0.5098793746138177
Energy: -0.2975047151224574
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Energy: -0.04663948510548764
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Energy: 0.4940058509952149
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Energy: 0.33856664884255705
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Energy: -1.2204327461720605
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Energy: 0.2902635273032262
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Energy: -0.8651684012044011
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Energy: 1.1445666178132152
Energy: -0.4378462943380799
Energy: 0.023732066332553117
Energy: 0.47658605701871604
Energy: 0.3078893923426459
Energy: -1.20060510207996
Energy: 1.1934532097833463
Energy: -0.7155417787968027
Energy: -0.5570676865097233
Energy: -1.0712263738845325
Energy: -0.09169284164831312
Energy: -1.254642083090577
Energy: 1.0946280021545842
Energy: -0.4651361529741374
Energy: -0.47087206974336737
Energy: -0.5956099691491864
Energy: -0.6502563061275889
Energy: -0.3701662899829141
Energy: 1.0738437670314487
Energy: 0.2705076513746204
Energy: -0.8634692296561087
Energy: -0.8771120176946471
Energy: 0.05424176128422461
Energy: -0.7997819928984027
Energy: 0.9991001674416472
Energy: -0.7002146825612631
Energy: -1.34850540296807
Energy: -0.8613028894028462
Energy: -0.07850391158554354
Energy: -1.015830358281457
Energy: -0.4851736964958109
Energy: 0.21084979559122527
Energy: 0.26607649444268827
Energy: -0.0934742501182171
Energy: 0.32048359854228226
Energy: -1.1703474792490722
Energy: 0.19576157850627235
Energy: 0.42260873102770197
Energy: 0.5949768595168772
Energy: -0.17660843482762625
Energy: 0.5831147181339025
Energy: 0.3815197595148366
Energy: 1.1072646047127328
Energy: -0.657557476369981
Energy: -1.5189777217201887
Energy: 0.5626909577930863
Energy: 0.36863284189154516
Energy: -1.5351396881729722
Energy: 1.1181804461912472
Energy: -0.7437135303706262
Energy: -1.216352665223848
Energy: -0.8706391540760049
Energy: -1.1021320887345312
Energy: -1.327300305094302
Energy: 1.194018315639147
Energy: -0.8061021177482105
Energy: -0.38594357452975353
Energy: -1.1341812632672106
Energy: -0.9839165173719284
Energy: -1.2385584293546374
Energy: 1.4157739742324764
Energy: -1.4864391833280826
Energy: -0.7956844034494381
Energy: 0.32418708704717214
Energy: -1.160168719949545
Energy: -1.1396064347270463
Energy: 1.217452204021544
Energy: -1.1884217886706117
Energy: -0.6639170364756558
Energy: 0.02867381578825494
Energy: -0.6334003348364966
Energy: -0.5717151008068689

minimum gb energy = -1.6375373896052436 eV
minimum distance =  2.28512986282608 Angstroms
sigma value = 101


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

Energy: 1.9519865697277945
Energy: 0.27344239207188564
Energy: 1.0915106748182217
Energy: 0.2523245171558366
Energy: 0.1349142447096117
Energy: 0.6295819651792964
Energy: -1.0977256506704574
Energy: 0.710690336734254
Energy: 0.17701273309748983
Energy: 0.530477005882283
Energy: 0.5703704656071448
Energy: 0.2403452293911202
Energy: 1.4072438668055651
Energy: -0.21344365066119741
Energy: 0.2259484274410562
Energy: 0.4660552780505807
Energy: -0.3515873150086719
Energy: 0.5733341962238745
Energy: 1.0329132650282125
Energy: -0.7900480958026955
Energy: 0.3511257670830187
Energy: 0.22220474282212455
Energy: -1.0065308164571345
Energy: 0.43567724272285774
Energy: 1.1879199208681461
Energy: 0.30439401306507113
Energy: 0.317471119972482
Energy: 0.30617726390419703
Energy: 0.5054935473415504
Energy: 0.4604279929745458
Energy: 1.0420689643528296
Energy: 0.39891112494016195
Energy: 0.1921893216823633
Energy: 0.23884196087140455
Energy: -0.05216512321285002
Energy: -0.30170780735597036
Energy: -1.018536370418662
Energy: -0.03386505078738917
Energy: 0.16567443079580735
Energy: -0.2652099910198574
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Energy: -0.8984791857753633
Energy: 0.30438231977299685
Energy: -0.31658112775059655
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Energy: 0.5148650226171654
Energy: 0.3830099518334348
Energy: 1.0170588582750433
Energy: 0.6604172381766934
Energy: 0.6033593640295193
Energy: 0.2027258669006568
Energy: 0.4629462944671655
Energy: 0.13136666426322494
Energy: 0.9781947318130984
Energy: 0.39047385765180476
Energy: 0.367873714876986
Energy: -0.3898420469489567
Energy: 0.5819957290235743
Energy: 0.4279985155357906
Energy: 1.3757963437378855
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Energy: 0.38125304421187595
Energy: -1.1387843504731336
Energy: 0.013822659904286194
Energy: 0.4895863622524082
Energy: 1.181028673124226
Energy: 0.2401013663092371
Energy: 0.3374549535572037
Energy: -0.21156972542092067
Energy: 0.040407533490543275
Energy: 0.20781961322684192
Energy: 1.1459446549534822
Energy: -0.07641254760194768
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Energy: 0.3759075189532569
Energy: 0.18805098579624935
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Energy: -1.0142738405537386
Energy: 0.42114417274352406
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Energy: -0.5087181573420084
Energy: 0.1571171867960852
Energy: 1.2091323937461855
Energy: 0.8214162453720182
Energy: 0.7151668311451634
Energy: 0.5236384356361246
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Energy: -0.15562776578303944
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Energy: 0.027948045538060476
Energy: -0.49408816286733576
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Energy: 0.022943899175707667
Energy: -0.018292737385833285
Energy: -0.5516307297895964
Energy: -0.1367712086982707
Energy: -0.5301517409691358
Energy: 0.9827945821756673
Energy: 0.38395902681354116
Energy: 0.37308973259865086
Energy: -0.4697032600868346
Energy: 0.5041205377663435
Energy: 0.09785946051167294
Energy: 1.0709520706601032
Energy: 0.273386244298779
Energy: 0.006455319278765624
Energy: -0.28163993295448647
Energy: 0.5444295843299498
Energy: -0.7011268979723426
Energy: 1.0091889325326286
Energy: 0.5056353080432637
Energy: 0.12642490215012872
Energy: -0.8166303335399401
Energy: 0.4611768475594644
Energy: 0.13709175330481158
Energy: 1.1005265528540515
Energy: -1.0656297934804708
Energy: 0.2028426765304589
Energy: 0.14561237583728187
Energy: -0.03841869642344823
Energy: 0.06062328335669437
Energy: 1.175033573143715
Energy: -0.7709130856559602
Energy: -0.44886814255500296
Energy: 0.030050641218496047
Energy: 0.456192343429553
Energy: 0.09734674862810042
Energy: 1.1451994032151527
Energy: 0.4298465754095247
Energy: 0.4034586299692409
Energy: 0.0853098421643968
Energy: 0.1994561924664299
Energy: -0.45782678239825714
Energy: 1.1441498424162637
Energy: 0.1287410963086761
Energy: -0.18688582608916915
Energy: 0.092827520193389
Energy: -0.19452516501195102
Energy: 0.2522754092173342
Energy: 1.1471035323191818
Energy: 0.5152977127075172
Energy: 0.35026654575051297
Energy: 0.22847724809020195
Energy: -0.055964090694236274
Energy: -0.07084395409827766
Energy: 1.3823503694079593
Energy: 0.1391520319296814
Energy: -0.01513985980353581
Energy: 0.19709721712106568
Energy: -1.1185249844531056
Energy: 0.500562805012188
Energy: 1.220114512474626
Energy: -0.24505035162529576
Energy: 0.6371110688786014
Energy: -0.10982144146824543
Energy: 0.17350905356560886
Energy: 0.5449917128896137

minimum gb energy = -1.1387843504731336 eV
minimum distance =  2.28147546654227 Angstroms
sigma value = 33


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

Energy: 0.05846100980402366
Energy: -0.11890989377020554
Energy: -0.8452501213436883
Energy: 0.061890561935569674
Energy: -0.19482917807707292
Energy: -0.5388400086850826
Energy: 0.5106493163288716
Energy: -2.62204717088188
Energy: -2.2893979382493743
Energy: -0.5050601436286534
Energy: -2.243837426622174
Energy: -0.5059119868493599
Energy: 1.5941959222778457
Energy: -2.681531871749666
Energy: -0.5960554444892114
Energy: -0.6581195384761944
Energy: -2.3929830557321545
Energy: -2.7576145285089018
Energy: 0.05967505282544473
Energy: -2.6220471484588455
Energy: -2.2893979346219155
Energy: -0.5050601436286534
Energy: -2.243837426634848
Energy: -0.5059119868409105

minimum gb energy = -2.7576145285089018 eV
minimum distance =  2.39478101348781 Angstroms
sigma value = 1