Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Fe__MO_650279905230_005
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=3.62842905521393
cohesive_energy=4.196039813136094
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=[2.6230034763531e-21, 2.43335382818652e-20, 8.643566701000259e-20, 1.80762374377782e-19, 2.7724064474735995e-19, 3.5887635077956203e-19, 4.23964776535812e-19, 4.755756924468539e-19, 5.167980950630399e-19, 5.499246991476239e-19, 5.76610553163528e-19, 5.9810855923854e-19, 6.15397647296034e-19, 6.29253270826866e-19, 6.4029387001176e-19, 6.4901451743062205e-19, 6.558173594185859e-19, 6.610308421856219e-19, 6.649401531725819e-19, 6.677888232278339e-19, 6.6979795272687e-19, 6.711630072190379e-19, 6.719640955360379e-19, 6.722268525040139e-19, 6.719416650631619e-19, 6.710172091453439e-19, 6.69328514973108e-19, 6.667281822961259e-19, 6.6303676733139e-19, 6.58018750113702e-19, 6.51382534495674e-19, 6.427387915552439e-19, 6.315764269461659e-19, 6.172000960092839e-19, 5.98662912353904e-19, 5.746943499092639e-19, 5.43597703619958e-19, 5.03144345788092e-19, 4.50426325822956e-19, 3.8165770033840796e-19, 2.9184929129617196e-19, 1.74395324434266e-19, 2.0479822824104996e-20, -1.8171406729837798e-19, -4.4849730515562e-19, -8.045442119995379e-19, -1.2924118035824398e-18, -1.98892605168126e-18]
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: -2.38418579101562e-07 eV

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

Energy: 0.01606275348501049
Energy: 0.7339678762466072
Energy: 0.016417690926132173
Energy: 0.016263630784355602
Energy: 0.7328969960664644
Energy: 0.01627863110250179
Energy: 0.7339678762453966
Energy: 0.10342461482039324
Energy: 0.10348459410316542
Energy: 0.10375038087755843
Energy: 0.1033594081470269
Energy: 0.10409289522541247
Energy: 0.016417690926132173
Energy: 0.1034845941034767
Energy: 0.1040513338243576
Energy: 0.01625811748237495
Energy: 0.10390176971785127
Energy: 0.10383307662867812
Energy: 0.016263630784355602
Energy: 0.10375038087755843
Energy: 0.01625811748237495
Energy: 0.016409211077528234
Energy: 0.1038170477370707
Energy: 0.01628109142345109
Energy: 0.7328969960670525
Energy: 0.10335940814733818
Energy: 0.10390176971785127
Energy: 0.10381704773675943
Energy: 0.10381221312161588
Energy: 0.10436101611413238
Energy: 0.01627863110250179
Energy: 0.10409289522541247
Energy: 0.10383307662867812
Energy: 0.01628109142345109
Energy: 0.10436101611413238
Energy: 0.016256566465214256

minimum gb energy = 0.01606275348501049 eV
minimum distance =  2.56294197997292 Angstroms
sigma value = 1


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

Energy: 1.335365197416773
Energy: -3.7172129085877987
Energy: -1.2950393051541975
Energy: -2.101283564756262
Energy: -3.363143851768598
Energy: -1.6572962870689318
Energy: -0.7704479367498227
Energy: -3.6011566618357866
Energy: -3.165028663521401
Energy: -4.216120915648839
Energy: -2.94795221468911
Energy: -4.324346495735782
Energy: -4.077745796078722
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Energy: -4.210118085293541
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Energy: -4.710258923790115
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Energy: -1.490204703741495
Energy: -1.756266038468031
Energy: -1.463284802161613
Energy: -5.0422755305930895
Energy: -1.0322436465767884
Energy: -1.0621392394628513
Energy: -1.4635627946891094
Energy: -3.3993840646291127
Energy: -2.3332856161724225
Energy: -4.753759464861381
Energy: -1.062307496863272
Energy: -4.484762689564342
Energy: -4.325649733658421
Energy: -2.488197315209818
Energy: -3.94505769535156
Energy: -3.2919786529141435
Energy: -3.76408746530742
Energy: -4.045019323634407
Energy: -1.0415208765280555
Energy: -2.7182972082522627
Energy: -2.5602026594554497
Energy: -0.8048623018047699
Energy: -2.3693597161346123
Energy: -1.053106169707089
Energy: -0.9990127606997663
Energy: -2.3601291993940654
Energy: -3.292066961564475
Energy: -4.749477719447059
Energy: -3.2512425824481697
Energy: -1.5975294854297508
Energy: 1.249366171039598
Energy: -3.2089599750319335
Energy: -1.9948064757077713
Energy: -2.646364246900509
Energy: -4.326013951746242
Energy: -4.152794492648006

minimum gb energy = -5.0422755305930895 eV
minimum distance =  2.33478067108547 Angstroms
sigma value = 33


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

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Energy: -3.3613841291072144
Energy: -1.4938601801518614
Energy: -2.581095925539123
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Energy: -2.8643156139116153
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Energy: -2.372530823058036
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Energy: -3.5379028600503903
Energy: -3.1649908372217714
Energy: -1.2711905249716797
Energy: -3.418459576989901

minimum gb energy = -4.352930268070343 eV
minimum distance =  2.31007258752274 Angstroms
sigma value = 51


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

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Energy: 1.4002716570314282
Energy: -0.8318813461335871
Energy: -1.181937987957691
Energy: -1.9123649313088804
Energy: -0.9600819472269108
Energy: -2.15274370268843

minimum gb energy = -2.7448073620744977 eV
minimum distance =  2.33717915026848 Angstroms
sigma value = 19


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

Energy: 1.3047815759968875
Energy: -0.23423735774286797
Energy: 0.6566385894835444
Energy: 0.18276663277564342
Energy: -0.05548063594982816
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Energy: -0.2875683322964144
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Energy: -0.2836779386902337
Energy: -0.237593081995198
Energy: -0.21116133097044062
Energy: -0.2842947592983098

minimum gb energy = -0.9956685066211093 eV
minimum distance =  2.38500268797047 Angstroms
sigma value = 27


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

Energy: 1.0786559396777275
Energy: -0.4568416610225314
Energy: -0.3504668324900978
Energy: -0.6519856766364799
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Energy: -0.4201899491278509
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Energy: -0.5182065894271964
Energy: -0.4454832732208999
Energy: -0.3988565454933058
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Energy: -0.55202820191569
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Energy: -0.3835231677750039
Energy: -0.47091387332042717
Energy: -0.487499485154598
Energy: -0.43336854212352277

minimum gb energy = -1.6496166374400236 eV
minimum distance =  2.37659518676078 Angstroms
sigma value = 9


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

Energy: 1.7515421369720003
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Energy: -2.402451175238834
Energy: -1.3440719743188259
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Energy: -1.6359441328218576
Energy: -3.1949593813567314
Energy: -1.4268308489096306
Energy: -1.6517342633425647

minimum gb energy = -4.498951068882831 eV
minimum distance =  2.33564945567827 Angstroms
sigma value = 57


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

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Energy: -2.2115307089911633
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Energy: -0.8042363937009748
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Energy: -0.5887619677700324
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Energy: -1.0336702474788464
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Energy: -0.9901933558490559
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Energy: -0.9570513939246783
Energy: -1.9313582268338634
Energy: -1.6785539699649459
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Energy: -0.8345533881734549
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Energy: -1.0955784219256575
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Energy: -1.082943336593331
Energy: -2.0007941463106285
Energy: -1.0847360463454718
Energy: -1.0760679266130462

minimum gb energy = -2.295699787110573 eV
minimum distance =  2.35111577451426 Angstroms
sigma value = 11


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

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Energy: -2.4116134305629218
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Energy: -1.7648446580316794
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Energy: 0.7156429919298695
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Energy: -2.4591710541864624
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Energy: -1.8522340838871554
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Energy: -2.1225057118330253
Energy: -2.017411473854299
Energy: -2.1912222588157606
Energy: -2.282504294087683
Energy: -2.046672141804078
Energy: -2.2116772651908194
Energy: -2.2786693152919906
Energy: -1.8608183767979354
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Energy: -3.8104884705501285
Energy: -2.1947134956761856
Energy: -3.0934691583822747
Energy: -2.0272943666592975
Energy: -2.8828738344662703
Energy: -2.569715295945382

minimum gb energy = -3.867146686442529 eV
minimum distance =  2.3780779132487 Angstroms
sigma value = 41


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

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Energy: -1.811740604267371
Energy: -1.742518292426565

minimum gb energy = -3.2240209356926535 eV
minimum distance =  2.38458500362241 Angstroms
sigma value = 33


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

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minimum gb energy = -5.364214255996763 eV
minimum distance =  2.32966171295251 Angstroms
sigma value = 67


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

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minimum gb energy = -2.393637391954055 eV
minimum distance =  2.39579420624239 Angstroms
sigma value = 3


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

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minimum gb energy = -5.5584436780181345 eV
minimum distance =  2.29706815936731 Angstroms
sigma value = 81


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

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Energy: -3.5534582751860153
Energy: -1.3021275487260127
Energy: -2.39927300259433
Energy: -1.9481392969283475
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Energy: -1.9883588464669446
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Energy: -3.5489899840727865
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Energy: -3.2047986675706883
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Energy: -2.5556625904525547
Energy: -1.4569577797074598
Energy: -2.6753496312555076
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Energy: -3.1405647672113557
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Energy: -3.113653997222853
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Energy: -2.206505799098445
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Energy: -3.5720652003614957
Energy: -1.731037973824051
Energy: -0.7539947971842177
Energy: -3.504236978818615
Energy: -1.9961912045219738
Energy: -0.7624213460423523
Energy: -3.6787450723531268
Energy: -1.368310118002831
Energy: -1.9034357836571536
Energy: -2.5968350223335954
Energy: -3.2443669057049167
Energy: -2.312154029556554
Energy: -2.6618003896017504
Energy: -1.4202544331540368
Energy: -3.213714046509106
Energy: -3.388741637215778
Energy: -3.2619424143971685
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Energy: -3.409523898041883
Energy: -1.5211803927428902
Energy: -3.1155947888736786
Energy: -1.9236138135970737
Energy: -2.0341506528532114
Energy: -1.8064940740742295
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Energy: -2.1773683083895006
Energy: -3.359706237408652
Energy: -3.1335251950031404
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Energy: -3.069794390244655
Energy: -3.417222417459973
Energy: -1.4791268541599372
Energy: -3.3424028799984953
Energy: -3.1454048461753383
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Energy: -1.4490170730504153
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Energy: -1.4684733157926013
Energy: -1.866939399409232
Energy: -3.0866174895144836
Energy: -2.140719398356154
Energy: -2.0954319594069584
Energy: -3.305152977248874
Energy: -2.2560124233928667
Energy: -2.8831520492023683
Energy: -3.3910641958609764
Energy: -2.5741339533707124
Energy: -2.91613070224938
Energy: -2.7740343507128675
Energy: -1.610544427252859
Energy: -1.9970238220100855
Energy: -3.0790786003137125
Energy: -1.5834557473629418
Energy: -2.2212203117468663
Energy: -2.175126496716457
Energy: -1.580882385432496
Energy: -3.265273202242843
Energy: -0.74776642783832
Energy: -0.7019641956211067
Energy: -2.432228529419241
Energy: -3.9883285427014834

minimum gb energy = -4.06484039958699 eV
minimum distance =  2.29089423867319 Angstroms
sigma value = 43


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

Energy: -1.510413014829747
Energy: -0.08748424482537372
Energy: -0.4562787136165027
Energy: -1.5885398893550293
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Energy: -1.1160277924192719
Energy: -2.620497164952917
Energy: -1.6530260923729436
Energy: -1.726453049498928
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Energy: -1.6676197218854667
Energy: -1.05145754762111
Energy: -0.7198645650897727
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Energy: -0.6238414240538969
Energy: -0.666815690183673
Energy: -0.6619310019990399
Energy: -1.0118677472327826
Energy: -0.6772150592284063
Energy: -1.7224036946585493
Energy: -2.1696857615688723
Energy: -2.308487965309007
Energy: -1.6676358503751807
Energy: -1.0862880488612598
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Energy: -1.6536729429296246
Energy: -1.6230481285005525
Energy: -1.0228968825630471
Energy: -1.0751116839010615
Energy: -1.2797015018204685
Energy: -1.8109253534602774
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Energy: -1.016582511611844
Energy: -2.475110560308833
Energy: -0.8209902701163652
Energy: -1.0971182984147498
Energy: -2.4578246264221097
Energy: -1.476454207668457
Energy: -1.085107616455578
Energy: -0.6616240893375743
Energy: -0.6618976779470738
Energy: -0.6710093473766194
Energy: -0.6615753985706082
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Energy: -2.4550615605414734
Energy: -0.9771377357552387
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Energy: -0.7198522945609193
Energy: -0.7128759070284756
Energy: -0.6320120439310727
Energy: -0.9228761643736934
Energy: -2.1470474777602093
Energy: -1.3018228158080976
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Energy: -0.9559261052498232
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Energy: -1.5476472002309185
Energy: -1.5910780598749423
Energy: -2.3720913895529496
Energy: -1.5401854354974058
Energy: -1.2377047224437328
Energy: -0.6769580800512414
Energy: -1.2353284523223078
Energy: -0.6566407549775428
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Energy: -2.0512776278528975
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Energy: -0.5818025525044871
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Energy: -1.8465470241705937
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Energy: -1.6778952565581533
Energy: -1.811965953870776
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Energy: -1.4108174796293034
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Energy: -0.7083654257783145
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Energy: -0.6891806178650445
Energy: -0.9776446847681496
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Energy: -1.0052729401810605
Energy: -1.5694939105650425
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Energy: -1.3820799101140977
Energy: -2.0655601890881794
Energy: -2.1213041112745814
Energy: -1.4764526706628294
Energy: -2.456192609848093
Energy: -0.8634080445078489
Energy: -2.125869080120824
Energy: -1.4761003625322044
Energy: -0.8505965496986428
Energy: -1.4091232599687467
Energy: -0.5747051172307448
Energy: -1.2045756961680674
Energy: -2.094287929028311
Energy: -0.5137356440242138
Energy: -0.77891031312945
Energy: -0.6431453702687837
Energy: -0.6480677121989671
Energy: -0.8423805087587561
Energy: -0.42845252536821093
Energy: -0.693850593871724
Energy: -2.7431332437596407
Energy: -2.529941546081959
Energy: -2.714610923949302
Energy: -2.7624045194888645
Energy: -2.5248341258284444
Energy: -2.6024397650697306
Energy: -1.0192631290848244
Energy: -0.6423372374573435
Energy: -0.6652947902355877
Energy: -2.62239332327008
Energy: -0.6432243333371843
Energy: -0.6871527579794173
Energy: -1.1654993426049665
Energy: -0.7305214964492655
Energy: -2.6228480800665763
Energy: -1.5289636927412131
Energy: -2.309898414551472
Energy: -2.6680839542526096
Energy: -1.2037555637617292
Energy: -1.5671733753519268
Energy: -1.9670228356956947
Energy: -2.4271862717534125
Energy: -1.1600267503027766
Energy: -2.1848575111931985
Energy: -2.959134404655358
Energy: -0.5853674821163605
Energy: -1.9340949027014893
Energy: -2.739821709296103
Energy: -1.862103673446461
Energy: -2.238015246770105
Energy: -1.3758232403740565
Energy: -2.0092033367215922
Energy: -1.5595529320994233
Energy: -1.6245294245884858
Energy: -2.3601851477260625
Energy: -1.8344699590705098
Energy: -1.0272069061717422
Energy: -0.6617842455621752
Energy: -0.6655664236031814
Energy: -1.928648249777233
Energy: -2.3449024102013625
Energy: -0.6951007549630092
Energy: -0.9469680306566737
Energy: -0.7381171909020302
Energy: -0.7558259781445561
Energy: -1.9696607697083806
Energy: -0.7236018061981816
Energy: -1.7886152924005523
Energy: -2.3297219477612963
Energy: -0.6384332051075143
Energy: -0.38436987081698437
Energy: -1.2480192650345039
Energy: -0.5309077076148726
Energy: -2.8466143980304883

minimum gb energy = -2.959134404655358 eV
minimum distance =  2.32964840901122 Angstroms
sigma value = 57


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

Energy: -1.8010433967728268
Energy: -0.5287987158472907
Energy: -0.930579054823249
Energy: -0.8870687743159785
Energy: -0.5292917191065125
Energy: -0.9317944478704254
Energy: -1.768154104535524
Energy: -0.7533432917445334
Energy: -0.798412873247641
Energy: -1.152371741217373
Energy: -0.7546832688036502
Energy: -0.8021642975514252
Energy: -1.5555451724739782
Energy: -0.7598390299832605
Energy: -0.7575310498917265
Energy: -0.8643706503206864
Energy: -0.7743319611138688
Energy: -0.7905845396706551
Energy: -1.995908012372417
Energy: -0.7898952853554644
Energy: -0.7787418036901456
Energy: -0.9299568517083959
Energy: -0.7913798692468357
Energy: -0.7975021743267009
Energy: -1.7503335542153904
Energy: -0.9422747924004846
Energy: -0.745471368110016
Energy: -1.7760410661255615
Energy: -0.9893164773206237
Energy: -0.8097422561615664
Energy: -1.446963050000057
Energy: -1.4633341730786222
Energy: -0.886300321899985
Energy: -0.8989858893204241
Energy: -0.7639412610820133
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Energy: -2.0590204848347584
Energy: -0.756139517546804
Energy: -0.7990499009400961
Energy: -0.9633828998021023
Energy: -0.7522222799533144
Energy: -0.7999432460353513
Energy: -1.3955191514315897
Energy: -0.866976838463454
Energy: -0.8683831196301273
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Energy: -1.9688148813646555
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Energy: -0.8680433265911354
Energy: -1.5014817944286143
Energy: -0.7495307164714157
Energy: -0.8076807091853385
Energy: -0.9102993217175663
Energy: -0.7653423858451408
Energy: -0.8067665132142428
Energy: -2.010559646019298
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Energy: -1.857532421862805
Energy: -0.8704109348260421
Energy: -0.8689301891281738
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Energy: -1.0520449011754986
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Energy: -1.809401465107765
Energy: -0.8026362134798404
Energy: -0.7093002555426013
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Energy: -0.9712322575472071
Energy: -1.6094457225052945
Energy: -0.7686350515604922
Energy: -0.7690236054415122
Energy: -0.8674405781907124
Energy: -0.7684872598742019
Energy: -0.7749836392371308
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Energy: -0.8470147046489194
Energy: -0.8329887655144402
Energy: -0.8015941658437828
Energy: -0.8434662840530674
Energy: -0.8398755785700779
Energy: -2.457938271404581
Energy: -0.8809478227991037
Energy: -0.8852491420503489
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Energy: -1.2979807962418328
Energy: -1.7104636902318873
Energy: -1.2012708976956794
Energy: -1.218581628214801
Energy: -0.9375939779130072
Energy: -1.0477901897045443
Energy: -0.8205093905645452
Energy: -2.023368232192924
Energy: -0.8732164579188849
Energy: -0.8720214862865271
Energy: -0.8888140675253315
Energy: -0.8716498906871566
Energy: -0.8718302138071091
Energy: -1.4868296194947381
Energy: -0.8687600985286377
Energy: -0.8704691088474126
Energy: -0.8379902515541562
Energy: -0.8691344392562866
Energy: -0.8738157285375853
Energy: -1.9630170817047645
Energy: -0.8312898949578805
Energy: -0.8244532477909292
Energy: -1.0016475580355302
Energy: -0.8525603005356158
Energy: -0.8694708592720675
Energy: -1.4178683598803528
Energy: -0.7493316132715326
Energy: -0.7902806285013944
Energy: -0.5234536960446988
Energy: -0.7647969275038834
Energy: -0.8186685508499084
Energy: -1.5593125803680885
Energy: -0.8322736377637157
Energy: -0.985790338293237
Energy: -0.7968244741368826
Energy: -0.8330710226896456
Energy: -0.7664551149029301
Energy: -3.267384215495341
Energy: -0.8687316308678029
Energy: -0.9283313900673504
Energy: -1.1478415683896492
Energy: -0.8686207085984008
Energy: -0.9266499771209474

minimum gb energy = -3.267384215495341 eV
minimum distance =  2.39497995619828 Angstroms
sigma value = 17


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

Energy: -1.5485034044061623
Energy: -0.8477240679226478
Energy: -1.2847753723378295
Energy: -0.9410747350729003
Energy: -0.8724051955619193
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Energy: -1.669263232838913
Energy: -1.0296935780989964
Energy: -0.9027794054622821
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Energy: -1.0054049275787635
Energy: -0.9453287389780566
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Energy: -1.0248191350255726
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Energy: -1.3528124272558526
Energy: -1.1681315612052405
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Energy: -1.5383660003067032
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Energy: -1.0060052449794918
Energy: -0.9515113861357489
Energy: -2.512692443111327
Energy: -1.1515130487220357
Energy: -1.047509070170042
Energy: -1.026015071538202
Energy: -1.405065037042157
Energy: -1.921938215177746
Energy: -2.071672335178488
Energy: -1.138858047656556
Energy: -1.1385185192852618
Energy: -1.6511798753148454
Energy: -0.8998818854549653
Energy: -1.6900855577437777
Energy: -1.9981089006520825
Energy: -1.0143511997808015
Energy: -0.9815550851724446
Energy: -1.832844993774859
Energy: -1.0156431230996978
Energy: -1.1329413000632456
Energy: -1.8541876414043477
Energy: -1.015740474285668
Energy: -0.9527703222503264
Energy: -1.0437526562261694
Energy: -1.0368459353254962
Energy: -0.9678786919039056
Energy: -1.985284320167177
Energy: -0.9872923648475033
Energy: -0.9857047252753072
Energy: -1.0250457661748038
Energy: -1.0251131893531038
Energy: -0.9846898404416878
Energy: -1.7099878326280822
Energy: -0.9931994930421004
Energy: -0.9096698491252339
Energy: -1.2130033014533939
Energy: -0.9798015906395761
Energy: -0.9558223962777347
Energy: -2.7895512969580833
Energy: -1.0468283816181683
Energy: -1.0081430476546565
Energy: -0.9207783955918056
Energy: -1.0485530617507215
Energy: -1.0172962554601037
Energy: -1.823226637186926
Energy: -1.0368432611192622
Energy: -0.9140370478006068
Energy: -1.0308306937920575
Energy: -0.9733417956892478
Energy: -0.9662547712017605
Energy: -1.675053891629841
Energy: -0.8866238525497989
Energy: -0.8921430498873115
Energy: -0.6996632940010686
Energy: -0.8644866892755547
Energy: -0.914680105569389
Energy: -1.711704922416151
Energy: -1.049950309544452
Energy: -0.9602503768438114
Energy: -1.1543306324929672
Energy: -1.0227612422760437
Energy: -1.0717211980234014
Energy: -1.5460566956168826
Energy: -0.9624230569060018
Energy: -0.9088766655352271
Energy: -0.9261815504483132
Energy: -1.0417034984460702
Energy: -0.9704989404290433

minimum gb energy = -2.7895512969580833 eV
minimum distance =  2.37507688533446 Angstroms
sigma value = 17


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

Energy: -1.9962425320622543
Energy: -1.4366808293228457
Energy: -1.6805274826799264
Energy: -1.8022292377508964
Energy: -1.783255282287414
Energy: -2.167429625267557
Energy: -1.7307832606424531
Energy: -2.4260285643899415
Energy: -2.4742911280641127
Energy: -1.7176915890223148
Energy: -2.566694198092741
Energy: -2.4998525953264257
Energy: -1.7909774587721392
Energy: -1.5376747682245413
Energy: -1.8197401398756932
Energy: -1.480735703625419
Energy: -1.6857877780240942
Energy: -1.6978510881436515
Energy: -2.445677757286802
Energy: -1.8158773347323587
Energy: -1.6370600845984338
Energy: -2.0420887282906777
Energy: -1.870506987756097
Energy: -1.5687655524239394
Energy: -2.2917332535929376
Energy: -2.617429452483244
Energy: -2.4819122894029984
Energy: -2.5727859187789233
Energy: -2.3115900055025436
Energy: -2.5423339312456212
Energy: -1.9877063479072024
Energy: -2.4599944655940438
Energy: -1.921824258661612
Energy: -1.8266214650948511
Energy: -1.9124321773932835
Energy: -1.981063493759869
Energy: -2.139394294086125
Energy: -1.9438740505701486
Energy: -2.771278445762118
Energy: -3.1377905995854958
Energy: -2.459518686049315
Energy: -1.9837900098404289
Energy: -1.9999023142070185
Energy: -2.0988573848942287
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minimum gb energy = -4.199095683754344 eV
minimum distance =  2.36250878913323 Angstroms
sigma value = 57


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

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minimum gb energy = -4.786781234554237 eV
minimum distance =  2.34655742745396 Angstroms
sigma value = 43


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

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Energy: -2.0543618114394087

minimum gb energy = -4.669764843036333 eV
minimum distance =  2.33130345481124 Angstroms
sigma value = 81


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

Energy: 0.3141264360431568
Energy: -0.004573674386362468
Energy: -0.007598188753788257
Energy: 0.018636668552310352
Energy: -0.11537622400357916
Energy: 0.2774491984763726
Energy: 0.5210479949763482
Energy: -0.40185324289446406
Energy: -0.3932852404068514
Energy: -0.46912562498149735
Energy: -0.4843767987864693
Energy: -0.2688551322393307
Energy: 0.553031082264836
Energy: -0.004780115112059675
Energy: -0.011715793266557776
Energy: -0.30097355850882335
Energy: -0.004402416313451563
Energy: -0.012235424607178812
Energy: 0.5298535955701967
Energy: -0.005283817413129863
Energy: -0.016479087566398088
Energy: -0.19211220616744845
Energy: -0.004921187331029849
Energy: -0.01133572439201256
Energy: -0.021588161172451444
Energy: -0.48676117253960105
Energy: 0.08006534613664348
Energy: -0.02428120791296319
Energy: -0.772114562331264
Energy: -0.14708528721333392
Energy: 0.017650579225225112
Energy: -0.09589743539921698
Energy: -0.007073205115387955
Energy: 0.018998548933575492
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Energy: -0.007476172110241597
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Energy: -0.012137978025816554
Energy: -0.39051625110818977
Energy: -0.08007174446325456
Energy: -0.008391896908082098
Energy: 0.027981204623471177
Energy: 0.5063045069289468
Energy: 0.009083421908922338
Energy: -0.01182889486550067
Energy: -0.39864193667397385
Energy: -0.003004168271972613
Energy: -0.012430326905075303
Energy: 0.5685316795340727
Energy: -0.005288126688540566
Energy: -0.016662474976705376
Energy: -0.10622191328977292
Energy: -0.004915070493362643
Energy: -0.017605818146447502
Energy: 0.26554597846537337
Energy: -0.3957616068399893
Energy: -0.39690512303075376
Energy: -0.02417173190565992
Energy: -0.39423301514980297
Energy: -0.3587478782917046

minimum gb energy = -0.772114562331264 eV
minimum distance =  2.37155747541772 Angstroms
sigma value = 3


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

Energy: 0.008670157056968636
Energy: -3.132655013622035
Energy: -2.24368581624253
Energy: -2.663929045813651
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Energy: -2.803520988368373
Energy: -2.865186473126354
Energy: -2.8458959960499786
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Energy: -2.898151560164363
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Energy: -3.4910257145180132
Energy: -2.394157210566741
Energy: -2.8894504737120417
Energy: -2.9464954287594667

minimum gb energy = -3.4910257145180132 eV
minimum distance =  2.36243502933741 Angstroms
sigma value = 67


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

Energy: 0.35345199571850444
Energy: -3.5594228085211763
Energy: -4.118627015691236
Energy: -4.0104668024265235
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Energy: -3.0588890684638548
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Energy: -3.0284340757648454
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Energy: -3.7945975910822116
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Energy: -4.00051085766613
Energy: -3.0959018359438493
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Energy: -3.149252766565106
Energy: -3.185952347071394
Energy: -3.428213116164331
Energy: -3.111531361454165
Energy: -3.3864346114047703

minimum gb energy = -4.449480970090337 eV
minimum distance =  2.33351375536937 Angstroms
sigma value = 33


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

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Energy: -1.6871145462525656
Energy: -1.6392139659674256
Energy: -1.8458535070223598
Energy: -2.536790006381793
Energy: -1.5289695690548186
Energy: -1.4683001265736728
Energy: -2.505429299730016
Energy: -1.6962812935485851
Energy: -1.5511326878370284
Energy: 0.047338798680396706
Energy: -1.7240031069395523
Energy: -2.2635596832623777
Energy: -2.1602501857586622
Energy: -1.564365383589225
Energy: -1.5792989200297058
Energy: -2.2115590507766116
Energy: -1.7479324910730962
Energy: -1.4908736140206627
Energy: -1.554415435140427
Energy: -2.11963263409509
Energy: -1.3290165162068805
Energy: 0.15787824329999645
Energy: -1.926431500990826
Energy: -3.419888447603992
Energy: -2.159490348160284
Energy: -2.3875131292218055
Energy: -2.135227141094861
Energy: -2.9047883816582374
Energy: -1.755801385061286
Energy: -1.5271202584807007
Energy: -2.4486227914181584
Energy: -1.902037233502003
Energy: -2.8681602631526304
Energy: -3.428335442251847
Energy: -3.259617916335797
Energy: -1.877259385840005
Energy: -1.7669535312402882
Energy: -1.2491658086010868
Energy: -2.64063807723102

minimum gb energy = -4.382859938030759 eV
minimum distance =  2.34626164428283 Angstroms
sigma value = 41


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

Energy: 0.531830750893491
Energy: -1.8362795153349287
Energy: -1.7864000364564472
Energy: -1.9131746584831086
Energy: -1.8384184714387117
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Energy: -1.6813799935075637
Energy: 0.6142985332689166
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Energy: -2.152436417756631
Energy: -1.2994221466940485
Energy: -2.095585158522652
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Energy: 0.6671518746557401
Energy: -2.037986803837687
Energy: -2.144194887752286
Energy: -1.6126342308930686
Energy: -2.093163867586832
Energy: -1.5599007890482375
Energy: 0.5670155652245658
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Energy: -1.726006683175016
Energy: -1.8566984666195543
Energy: -1.3536171331086535
Energy: -1.6498859111713209
Energy: 0.46399872607526915
Energy: -1.8023017953249598
Energy: -1.7992872976133387
Energy: -1.940683327481333
Energy: -1.652238115843046
Energy: -2.009843274093324
Energy: 0.7929787337350903
Energy: -1.6824666242426463
Energy: -1.6935858083063358
Energy: -0.5487721814302795
Energy: -1.7731171997254267
Energy: -0.6953777628121808
Energy: 0.7850247563546761
Energy: -1.5064943952561856
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Energy: -0.5932701593597144
Energy: -1.9256764590820512
Energy: -1.506327436620841
Energy: 0.5099114235620975
Energy: -1.7121481308119615
Energy: -1.3309175873674135
Energy: -1.8727621467042592
Energy: -1.8212082312686144
Energy: -1.3370128983956564
Energy: 0.531176855729999
Energy: -2.0412593749228907
Energy: -1.2408317095467636
Energy: -1.9025632337551823
Energy: -0.8158126327565338
Energy: -1.8879962017100445
Energy: 0.5266287667854174
Energy: -1.3521763659105444
Energy: -1.3841465329556022
Energy: -1.6724619058252657
Energy: -2.006041497439209
Energy: -1.2921686532397045
Energy: 0.616138848850066
Energy: -1.9233348841669249
Energy: -1.818608882117065
Energy: -1.508899908136531
Energy: -1.8211427991912477
Energy: -1.9958186980298143
Energy: 0.7618481907586537
Energy: -1.7533557765682912
Energy: -1.5549965687725489
Energy: -1.4308566785599262
Energy: -1.3907880739317775
Energy: -1.6868859837699142
Energy: 0.454169451167743
Energy: -1.3596788261364336
Energy: -1.4202491221650893
Energy: -2.353752476779923
Energy: -1.3737277041994966
Energy: -1.7837286781769224

minimum gb energy = -2.353752476779923 eV
minimum distance =  2.38029371250193 Angstroms
sigma value = 11


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

Energy: -0.8442184021663997
Energy: -1.1151296616620934
Energy: -0.6238664814048556
Energy: -2.1731576470870984
Energy: -1.2958389059054405
Energy: -1.775712237974182
Energy: 0.9455693481012867
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Energy: -2.146167459863742
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Energy: -1.14463411088275
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Energy: -1.959491739513654
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Energy: -1.4929421670599432
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Energy: -2.260109661096327
Energy: -1.7707873764452193
Energy: 0.6144849632322238
Energy: -2.301268113344417
Energy: -1.9440850839433172
Energy: -2.4748022339592497
Energy: -1.586919216692379
Energy: -2.002590287311185
Energy: 0.6878147435079269
Energy: -1.349406447484519
Energy: -1.8166756941778333
Energy: -1.1138684907616863
Energy: -1.8494034812022675
Energy: -1.9672639902903875
Energy: -1.4586431062891632
Energy: -2.203524332345675
Energy: -1.6726113316988362
Energy: -2.447478468764031
Energy: -2.6396623539648547
Energy: -1.8044474018841403
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Energy: -2.0056685594620536
Energy: -2.2658726530957605
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Energy: -1.6486640693676975
Energy: -0.861335754280634
Energy: 0.605169214154865
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Energy: -2.0063999235607577
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Energy: -1.2580335919214496
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Energy: -2.1749758585445407
Energy: -2.3213519517658256
Energy: -2.558691536820101
Energy: -1.8427723483937748
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Energy: -1.069385387904992
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Energy: -2.2219797865122803
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Energy: -1.5640919959873185
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Energy: -1.5622790403225582
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Energy: -1.382438564552444
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Energy: -2.463473342893845
Energy: -1.3564410886474032
Energy: -1.3647813655889816
Energy: 0.6367494515710936
Energy: -1.6457194046824897
Energy: -1.8555933769157504
Energy: -1.6913638811416913
Energy: -1.6764919777169505
Energy: -1.844659194058684
Energy: 0.6372067836607715
Energy: -1.7228911059818377
Energy: -1.3406223272423
Energy: -1.9770116436672156
Energy: -1.6662696290685082
Energy: -2.513612328318872
Energy: 0.6527325765082544
Energy: -1.6812514463996417
Energy: -1.0436497938145375
Energy: -2.1862163710448708
Energy: -1.8461213799269347
Energy: -2.0854971267490394
Energy: -2.0930437514973605
Energy: -1.8356686311721748
Energy: -1.0827953433891604
Energy: -1.5291684978735376
Energy: -2.366867094473088
Energy: -0.6148854131527276
Energy: -1.276171429821768
Energy: -2.0164428575143667
Energy: -2.004784258634815
Energy: -2.3123904401637922
Energy: -1.596110416549162
Energy: -2.0897017081054154
Energy: 0.5929485721045986
Energy: -1.3728219889776954
Energy: -1.3660849251403304
Energy: -1.769432262769354
Energy: -1.2445138368023658
Energy: -2.5154600589679252

minimum gb energy = -3.080504529185604 eV
minimum distance =  2.34105249431163 Angstroms
sigma value = 57


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

Energy: 1.4402786140133674
Energy: -0.31669486401877694
Energy: -0.28340523751541247
Energy: -0.3081502412001088
Energy: -0.5511025402308823
Energy: -0.42574665485579827
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Energy: -0.32353680110716265
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Energy: -0.1568064625467532
Energy: -0.3361103945859387
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Energy: -0.2174022150011922
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Energy: -0.2188674168158566
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Energy: 0.7961676565636033
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Energy: -0.1767123290446417
Energy: -0.21934564862349681
Energy: -0.6166773003104271
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Energy: -0.23194109225093645
Energy: 0.7609001579697183
Energy: -0.22239263471453385
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Energy: -0.32543038842454947
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Energy: -0.7191142866005303
Energy: -0.9822199172120016
Energy: -0.2329591400426421
Energy: -0.9872397506532338
Energy: -0.8752753715073165
Energy: 0.7592933253694112
Energy: -0.27580425431391564
Energy: -0.2545476933191866
Energy: -0.2157070205125816
Energy: -0.575117833448029
Energy: -0.25293607510949057
Energy: 1.1118944494094822
Energy: -0.26857677415791925
Energy: -0.2702464278624339
Energy: -0.3920025968434403
Energy: -0.5753498428990966
Energy: -0.18502950019563508
Energy: 0.7960188284534948
Energy: -0.2842198947839577
Energy: -0.41278229840029584
Energy: -0.15656818783334128
Energy: -0.2796591273003976
Energy: -0.24932355015868096

minimum gb energy = -0.9872397506532338 eV
minimum distance =  2.39639093086437 Angstroms
sigma value = 9


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

Energy: -0.7650376294486833
Energy: -2.1789237836177726
Energy: -0.6886047914704024
Energy: -1.0155307043619637
Energy: -1.5223010479410424
Energy: -0.9130261989388524
Energy: 1.1557407797636021
Energy: -1.128794425617925
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Energy: -1.8389199829204246
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Energy: -0.8755525435829499
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Energy: -0.7957843736374108
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Energy: 0.8549949625737903
Energy: -1.5903202571795891
Energy: -2.781614950388983
Energy: -2.817279487671577
Energy: -1.313454936068369
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Energy: -3.621585349375452
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Energy: -3.831418161752667
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Energy: -1.3810864033445465
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Energy: -1.9426615248232406
Energy: -2.1013078462190684
Energy: -4.187898850541595
Energy: 0.8689864650785916
Energy: -1.237166032240562
Energy: -3.13683324811584
Energy: -3.713077492894124
Energy: -3.9401771553063534
Energy: -3.8322394540725044
Energy: -1.156262051797151
Energy: -3.022606009296356
Energy: -1.0016655563587962
Energy: -2.0733704454626647
Energy: -3.5755066395068336
Energy: -3.114812036698911
Energy: 0.8324848072661908
Energy: -3.4145091912889467
Energy: -3.0108150182005815
Energy: -1.004588913272251
Energy: -1.6311950749623179
Energy: -2.709920022226022
Energy: 1.1482914750644408
Energy: -4.048398106195027
Energy: -3.926183334516258
Energy: -1.4768868893588363
Energy: -3.6992113344182567
Energy: -1.6287464452936453
Energy: 0.8927313343149075
Energy: -3.7574642552449444
Energy: -2.1327984736740726
Energy: -1.1401635348793924
Energy: -3.811643392561058
Energy: -1.1658125394848453

minimum gb energy = -4.187898850541595 eV
minimum distance =  2.30519692652376 Angstroms
sigma value = 27


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

Energy: 1.4811623224254915
Energy: -1.347369692719216
Energy: -3.054052890411666
Energy: -2.61634057434209
Energy: -1.4603047011251127
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Energy: -1.7811915872356248
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Energy: -3.6737717508061927
Energy: 0.07433937087078495
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Energy: -0.7974553329215276
Energy: -2.208581510221141
Energy: -2.015317480537606
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Energy: -2.2557170117653778
Energy: -2.340833173897222
Energy: -1.8638374026434787

minimum gb energy = -3.6998187380916505 eV
minimum distance =  2.28414062423631 Angstroms
sigma value = 19


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

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Energy: -0.6490514399199251
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Energy: -0.8487203192209738
Energy: -1.3472609015837662
Energy: -0.3160192892625615
Energy: -0.49655346241842063

minimum gb energy = -2.2730141297366138 eV
minimum distance =  2.32975739324799 Angstroms
sigma value = 101


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

Energy: -0.31749893728104694
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Energy: -2.7223260920353085
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Energy: -1.1187507757583541
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Energy: -0.2827947015845242
Energy: -0.39909920368596624
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Energy: -0.7612243580274893
Energy: -0.38920384667416086
Energy: -0.9589190955567187
Energy: -0.45965501712792617
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Energy: -2.2144262609520204
Energy: -0.8964370771457643
Energy: -0.5188539327519832
Energy: -3.0365829319588795
Energy: -2.3990957653074187
Energy: -1.0778680709965647
Energy: -1.473793592208256

minimum gb energy = -3.403063888644672 eV
minimum distance =  2.3040463077105 Angstroms
sigma value = 33


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

Energy: 0.01817293104517046
Energy: -2.0799670927112928
Energy: -3.310573457715392
Energy: 0.019203317960568615
Energy: -2.0547770632820677
Energy: -3.3972904593467264
Energy: 0.39761058668378857
Energy: -3.514132598432123
Energy: -3.512347645627733
Energy: -3.5194909760878983
Energy: -3.409048971305298
Energy: -3.3959645794251108
Energy: 1.3298842746494337
Energy: -1.9719922308859275
Energy: -2.037886906691507
Energy: -2.0407053219731366
Energy: -1.9811828180378368
Energy: -2.0920397320289563
Energy: 0.39761057992402427
Energy: -3.4279367775303156
Energy: -3.4702029009982662
Energy: -3.4683282436769733
Energy: -3.23648740181497
Energy: -3.5966104397909318

minimum gb energy = -3.5966104397909318 eV
minimum distance =  2.42763289373204 Angstroms
sigma value = 1