Model name: model_name=LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.390116661787033
cohesive_energy=35.62344262805812
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.2423161308924e-19, 1.383272842673214e-18, 1.7876606229181798e-18, 2.1579877301009396e-18, 2.50226344521486e-18, 2.825438494059e-18, 3.1294515103604997e-18, 3.4152477783334196e-18, 3.6837405386591395e-18, 3.93549055315956e-18, 4.1711066489556e-18, 4.39038054308484e-18, 4.59331223554728e-18, 4.7803343140341e-18, 4.951478822077979e-18, 5.1063772590530995e-18, 5.2442445584088e-18, 5.364808350117299e-18, 5.467732177085459e-18, 5.55272764751916e-18, 5.619474326091599e-18, 5.6678600604383995e-18, 5.69719591460694e-18, 5.70704930090604e-18, 5.69593019506608e-18, 5.65879174068996e-18, 5.588984904746579e-18, 5.477841911645999e-18, 5.31405139435218e-18, 5.08324182845814e-18, 4.76694011737386e-18, 4.34111361158934e-18, 3.7741994314147795e-18, 3.0241404402076797e-18, 2.0344438898531998e-18, 7.298891895616739e-19, -9.95449966647174e-19, -3.2889161507425196e-18, -6.358606472654819e-18, -1.0504558948456619e-17, -1.61698074609816e-17, -2.4022876232532598e-17, -3.5099364174028197e-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: 0.07810777564104728
Energy: 2.5148503035793963
Energy: 2.5163042879740845
Energy: 2.517593281693534
Energy: 2.5156024972125475
Energy: 0.07948836885547804
Energy: 2.5148503035619627
Energy: 12.491881126058017
Energy: 2.519473549898894
Energy: 2.5187203576714685
Energy: 2.516073996960422
Energy: 2.516037062610974
Energy: 2.5163042879740845
Energy: 2.5194735498814604
Energy: 12.54526679943605
Energy: 0.07967328677262887
Energy: 2.5169670341845642
Energy: 2.5164764466188663
Energy: 2.517593281693534
Energy: 2.5187203576819286
Energy: 0.07967328677262887
Energy: 0.07962951342448826
Energy: 2.5148521916932745
Energy: 2.521408966449215
Energy: 2.5156024972264945
Energy: 2.5160739969499617
Energy: 2.516967034188051
Energy: 2.5148521916897875
Energy: 12.506464985421319
Energy: 2.5181610292889083
Energy: 0.07948836885547804
Energy: 2.516037062597027
Energy: 2.5164764466153797
Energy: 2.521408966452702
Energy: 2.5181610292784478
Energy: 0.08003725402488548

minimum gb energy = 0.07810777564104728 eV
minimum distance =  2.93485347652048 Angstroms
sigma value = 1


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

Energy: -46.665748368730085
Energy: -37.556526964495994
Energy: -33.901499796786574
Energy: -27.405009590136174
Energy: -35.55713252538612
Energy: -43.57036346820406
Energy: 15.25033546926907
Energy: -40.19699833231008
Energy: -34.51083659991271
Energy: -40.785518330757085
Energy: -35.32683949149829
Energy: -40.076768002678385
Energy: -38.65799735243236
Energy: -37.83393146183521
Energy: -41.02917281663456
Energy: -41.885627255934665
Energy: -39.45464617011075
Energy: -37.65561276885
Energy: 15.82838676079085
Energy: -41.878647365642664
Energy: -47.21371000792151
Energy: -36.32353679832929
Energy: -40.767759530026936
Energy: -42.988489811639
Energy: -41.244247372927326
Energy: -34.69284090632594
Energy: -39.10377809568833
Energy: -41.78672608780366
Energy: -42.09569818216659
Energy: -39.53629801677799
Energy: -42.08594909300582
Energy: -41.42844621417384
Energy: -40.78377042415252
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Energy: -40.252163897632876
Energy: -40.384689633243056
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Energy: -40.19011019951743
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Energy: 15.2182017447102
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Energy: -49.77293323077674
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Energy: -39.38441415118467
Energy: -40.883594478614796
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Energy: -39.49284038821603
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Energy: -39.24230547400848
Energy: 15.283710405746733
Energy: -40.14084663904148
Energy: -39.085001853313734
Energy: -40.52149859264076
Energy: -40.16866221643957
Energy: -34.21954898584238
Energy: 15.275208615057679
Energy: -39.59777052611408
Energy: -38.873641542341595
Energy: -44.026187842447285
Energy: -38.153293268953796
Energy: -41.418064033898105
Energy: 15.817967320383705
Energy: -40.29009511637377
Energy: -44.813892603069995
Energy: -49.31579901467151
Energy: -35.925467151926824
Energy: -39.83874711685355
Energy: -39.43529127319802
Energy: -33.72115905064191
Energy: -46.2112541083081
Energy: -48.00625470984601
Energy: -35.66303959136663
Energy: -44.214691146016854
Energy: 15.25793164091431
Energy: -39.988518511715505
Energy: -34.46663971636119
Energy: -40.59287727075848
Energy: -40.05912400907651
Energy: -39.718302208504056
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Energy: -35.96789287550475
Energy: -45.15561487528683
Energy: -38.43330040493947
Energy: -33.51354584077212
Energy: -49.24366402089754
Energy: 15.288746875858408
Energy: -41.125807361583675
Energy: -48.653029286686134
Energy: -40.76660641973523
Energy: -38.34083646072089
Energy: -39.40933582278323
Energy: 15.234076103442504
Energy: -36.857602449912115
Energy: -37.79712391327989
Energy: -40.71288503443505
Energy: -50.95105818913569
Energy: -40.118034983511166
Energy: -42.80550470852875
Energy: -39.23663475260361
Energy: -40.275604287366804
Energy: -34.884398111266286
Energy: -40.387981018005824
Energy: -41.42340004282487
Energy: -49.246224929715275
Energy: -42.223182144213645
Energy: -38.46235814461356
Energy: -41.3790075620571
Energy: -40.41936933369007
Energy: -34.07912174776829
Energy: -26.422069026758344
Energy: -40.66572772105044
Energy: -41.80012524919206
Energy: -41.866243000644204
Energy: -39.29598026650582
Energy: -36.14195338466362
Energy: 15.862136398737556
Energy: -40.29758906010238
Energy: -35.82637658167778
Energy: -56.025690874447925
Energy: -38.26784597510619
Energy: -40.0843851430136
Energy: -50.13359689018481
Energy: -42.33234701380842
Energy: -38.28023681680845
Energy: -39.488957745731945
Energy: -40.45153452052492
Energy: -38.39244788698304
Energy: 15.301683952149524
Energy: -42.294157746409546
Energy: -36.46597697965505
Energy: -39.914188232042925
Energy: -38.981075158268034
Energy: -37.540107819087304

minimum gb energy = -56.025690874447925 eV
minimum distance =  2.82710604466596 Angstroms
sigma value = 33


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

Energy: -13.824441307667565
Energy: -24.104505794167988
Energy: -22.720757579066024
Energy: -24.435737410507578
Energy: -25.395840435578904
Energy: -25.604804645791425
Energy: 15.570019187881654
Energy: -25.983899800048572
Energy: -23.419666483094527
Energy: -29.999249727556748
Energy: -23.816559041711756
Energy: -29.57946924799698
Energy: 15.367286949251696
Energy: -30.969953731990508
Energy: -21.36811028229743
Energy: -26.236329288568875
Energy: -20.15374033999421
Energy: -26.890959775056732
Energy: 15.338794893323659
Energy: -23.553478774952108
Energy: -28.42568067506197
Energy: -24.662247964528305
Energy: -25.847318568107596
Energy: -27.978323369432236
Energy: 15.372938642838953
Energy: -25.489992513351243
Energy: -23.467172316672652
Energy: -19.828664782163937
Energy: -27.398284435717194
Energy: -25.101325190597976
Energy: 15.183438841194029
Energy: -25.878146572566493
Energy: -28.881377571131228
Energy: -20.461707040205333
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Energy: -24.00360102987353
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Energy: -23.865072687510953
Energy: -25.632734107618734
Energy: -26.954257835378943
Energy: -24.305381871720407
Energy: -16.287552186260324
Energy: 15.712624005544983
Energy: -24.428419683670935
Energy: -26.78346365803067
Energy: -26.569332975219332
Energy: -21.650308313802032
Energy: -19.624806713904228
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Energy: -22.516487527813414
Energy: -22.339422983962933
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Energy: -21.692926389005834
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Energy: -21.826973381162766
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Energy: -0.2883672106964814
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Energy: -22.38636757158616
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Energy: -25.774303345883975
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Energy: -10.935682418553114
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Energy: -28.802850766877146
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Energy: -23.95208124651181
Energy: -27.552267679637016
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Energy: 10.631397631203415
Energy: -25.931884234622903
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Energy: -22.546433318409285
Energy: -23.613012082039397
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Energy: -26.803453751726142
Energy: -24.653632200708156
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Energy: -24.97829846401901
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Energy: -22.812586106865414
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Energy: -30.19541174069602
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Energy: -25.442394671320354
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Energy: -25.416359673738956
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Energy: -24.16778053273338
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Energy: -29.97694904489002
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Energy: -25.58904586484382
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Energy: -29.942695152242813
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Energy: -23.644841032425525
Energy: 15.314704753837812
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Energy: -20.46753300225521
Energy: -24.894921100307272
Energy: -32.942212298130805
Energy: -23.773250410306073
Energy: -34.16530041680694
Energy: -30.593844222389635
Energy: -22.220657446374208
Energy: -25.019751793451125
Energy: -22.10731172708038
Energy: -19.94484313225323
Energy: 3.498442881864
Energy: -32.688745453916816
Energy: -22.933508092766147
Energy: -23.068585326595887
Energy: -25.79746016474632
Energy: -31.81347378586231
Energy: 15.739124097477003
Energy: -24.17414949598789
Energy: -32.31319086573201
Energy: -22.108988963651328
Energy: -25.95007087702196
Energy: -23.59423501533257
Energy: 15.323335012540046
Energy: -23.611793489289077
Energy: -23.959747237397345
Energy: -20.310714222137676
Energy: -31.293666798508657
Energy: -22.84121880223101
Energy: 15.784510282560603
Energy: -25.507780230117177
Energy: -26.518633437599796
Energy: -23.238789912216014
Energy: -23.96723939024859
Energy: -26.433550667045004
Energy: -41.60679221955922
Energy: -27.510126992559375
Energy: -20.532627793223458
Energy: -23.570601033486554
Energy: -18.051729076677482
Energy: -28.998402224576225

minimum gb energy = -41.60679221955922 eV
minimum distance =  2.83037890153528 Angstroms
sigma value = 51


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

Energy: 7.724979459226775
Energy: -9.938472207969834
Energy: -9.506645247372738
Energy: -14.731110613717158
Energy: -8.701063392126668
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Energy: -8.173773216834347
Energy: -15.478603484405456
Energy: -15.31837413798173
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Energy: -20.97485652434069
Energy: -8.570370636085473
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Energy: -25.40973562444969
Energy: -10.999608267670585
Energy: -7.017097789229403
Energy: -13.033454216240587
Energy: -14.852011959475622
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Energy: -15.092441238106328
Energy: -14.47908641673799
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Energy: -24.69603074546939
Energy: -9.298741251023458
Energy: -10.253604498493841
Energy: -11.86888588307708
Energy: -9.542982472559146
Energy: -8.4898343339588
Energy: -14.620707119623388
Energy: -8.680230748820698
Energy: -11.167573071382025
Energy: -20.501689775073757
Energy: -8.499066397673614
Energy: -8.731216604037336
Energy: -13.927779368635978
Energy: -13.506480484083633
Energy: -16.443379652026096
Energy: -13.351524395919755
Energy: -14.361727786360621
Energy: -14.321248407002926
Energy: -14.326679585673542
Energy: -13.131873923720134
Energy: -13.2198642392689
Energy: -22.91216777198948
Energy: -13.809161135284734
Energy: -13.281463167229289
Energy: -14.205522050539221
Energy: -8.349418366260268
Energy: -13.263267396285256
Energy: -22.872557203916998
Energy: -13.467884801623148
Energy: -13.626010104078048
Energy: -14.160801167493375
Energy: -13.741923626082956
Energy: -12.796667527382874
Energy: -14.362249338865379
Energy: -14.648902267170975
Energy: -15.084892015890523
Energy: -19.395575594556252
Energy: -16.739381679579207
Energy: -9.447593922101646
Energy: -24.776869057636404
Energy: -9.297610146799352
Energy: -8.000238189783454

minimum gb energy = -25.40973562444969 eV
minimum distance =  2.81028088418628 Angstroms
sigma value = 19


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

Energy: -23.11441465989176
Energy: -10.948985347208795
Energy: -10.382350856754316
Energy: -10.155759625652989
Energy: -11.059838085022877
Energy: -10.167457519790736
Energy: 18.329792838073626
Energy: -14.258184637598893
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minimum gb energy = -35.50901769827699 eV
minimum distance =  2.8263841931771 Angstroms
sigma value = 27


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

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Energy: -19.66985955523813

minimum gb energy = -38.26258506595106 eV
minimum distance =  2.86899001312439 Angstroms
sigma value = 9


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

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Energy: -8.573148125211555

minimum gb energy = -17.84877315181066 eV
minimum distance =  2.80361168515641 Angstroms
sigma value = 57


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

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Energy: 16.24786894054037
Energy: 0.3077820951690642
Energy: 0.2761654034743012
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Energy: -0.7691463418476966
Energy: -0.29449850037380115
Energy: 0.7702680917606413
Energy: 1.4352166930031731
Energy: -1.9345522015938923

minimum gb energy = -34.528257333326415 eV
minimum distance =  2.80185792227079 Angstroms
sigma value = 11


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

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Energy: -6.547838920078602
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Energy: -6.33821039987875
Energy: -8.083852796926369
Energy: -10.020455370321278

minimum gb energy = -64.21974876405046 eV
minimum distance =  2.85471568399031 Angstroms
sigma value = 41


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

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Energy: -1.8825289682143627

minimum gb energy = -31.53863718078923 eV
minimum distance =  2.83921742878277 Angstroms
sigma value = 33


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

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minimum gb energy = -26.64547757971006 eV
minimum distance =  2.82567914783314 Angstroms
sigma value = 67


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

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minimum gb energy = -55.94111438575344 eV
minimum distance =  2.80514779191716 Angstroms
sigma value = 3


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

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minimum gb energy = -70.41708721509727 eV
minimum distance =  2.74294252747718 Angstroms
sigma value = 81


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

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Energy: -26.334757655904443
Energy: -41.022963492322425
Energy: -24.925238557990742
Energy: -29.05344923977056
Energy: -46.72707313090874
Energy: -38.6730680288805
Energy: -28.760083240980137
Energy: -38.566218064461424
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Energy: -31.74078814589464
Energy: -45.87110392698798
Energy: -34.1301236249124
Energy: -34.283218034773114
Energy: -42.7554986800448
Energy: -38.15814382920803
Energy: -27.529725950567034
Energy: -40.29653372724569
Energy: -47.513431346278566
Energy: -42.79013975710648
Energy: -40.959311481646694
Energy: -5.022686065374467

minimum gb energy = -48.366877304143394 eV
minimum distance =  2.84252411037689 Angstroms
sigma value = 43


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

Energy: -32.482357891916955
Energy: -5.02134516701564
Energy: -3.588416931707868
Energy: 3.9163604093045206
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Energy: -2.1780961861891184
Energy: 3.6914065119226
Energy: -5.426783184944136
Energy: -4.900058367834727

minimum gb energy = -32.482357891916955 eV
minimum distance =  2.75622273055066 Angstroms
sigma value = 57


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

Energy: 23.423892777780896
Energy: 2.911672037455626
Energy: 3.877658169356126
Energy: 2.763332467433833
Energy: 3.5708467323024227
Energy: 1.154595007623802
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Energy: 1.4956164114264325
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Energy: 4.3207470271871316
Energy: 2.6937038020543675
Energy: 3.3188922453782483
Energy: 1.7505404017723243

minimum gb energy = -37.784880743784896 eV
minimum distance =  2.85927574893515 Angstroms
sigma value = 17


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

Energy: 32.729604553599536
Energy: -5.592023906740892
Energy: -2.3970761173466486
Energy: -5.5089901275433295
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Energy: -5.172955302417762
Energy: -6.215767911989552
Energy: -8.360641087157793

minimum gb energy = -32.82273565738542 eV
minimum distance =  2.8129725254955 Angstroms
sigma value = 17


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

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Energy: -3.4948961160739076
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Energy: -8.34551430466654
Energy: -2.7561873143178603
Energy: -8.336344009385803
Energy: -3.3405457601563624
Energy: -10.592780865701805
Energy: -3.3843341058177785
Energy: -8.348447398380127
Energy: -7.842554994606649
Energy: -8.373994470986856
Energy: -3.6562749086745034
Energy: -5.154746772219948
Energy: -8.160619313433036
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Energy: -7.9153834662138465
Energy: -8.72195055842263
Energy: -8.094426860184324
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Energy: -8.150437767550171
Energy: -6.336799170242716
Energy: -8.131047751715725
Energy: -8.114131853352765

minimum gb energy = -12.937137632590437 eV
minimum distance =  2.77825365450466 Angstroms
sigma value = 57


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

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Energy: -45.432889069352576
Energy: -57.84590934539594
Energy: -53.44972398038638
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Energy: -42.70639405950743
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Energy: -38.057666548799475
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Energy: -50.02975896357892
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Energy: -62.24286747865581
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Energy: -59.441906743223406
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Energy: -50.83894799513468
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Energy: -38.214315133488086
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Energy: -62.121847908221284
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Energy: -55.755370384680305
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Energy: -62.08777663765476
Energy: -49.65395850340431
Energy: -62.06841220979298
Energy: -49.67070838770731
Energy: -52.28710151482169
Energy: -56.57856265084925
Energy: -59.851088809584745
Energy: -38.40090780599015
Energy: -50.080189129404566
Energy: -60.331401631856004
Energy: -54.070832853629184
Energy: -60.27959044824312
Energy: -50.06106062973958
Energy: -55.25369301432198
Energy: -62.08442807841086
Energy: -53.96154691847491
Energy: -54.26961302823018
Energy: -52.4903697148586
Energy: -62.06683702194546
Energy: -43.828616381791186
Energy: -58.17602952328518
Energy: -40.08819794790111
Energy: -58.1761224686991
Energy: -45.49748374527176
Energy: -59.07502066243987
Energy: -43.03065297502714
Energy: -43.154228379476464
Energy: -53.98113799426902
Energy: -53.76860899242301
Energy: -45.674538216768624
Energy: -59.860749760478825

minimum gb energy = -64.46404203679074 eV
minimum distance =  2.7467572787849 Angstroms
sigma value = 43


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

Energy: 3.766966837295693
Energy: 1.9337803830107179
Energy: -0.45084129072378865
Energy: -0.9122323333296624
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Energy: -0.6383060066572601
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Energy: 0.9146093937924422
Energy: 1.8603809215752616
Energy: 2.0358200090657914
Energy: -28.636517708501547
Energy: 4.375289032819516
Energy: 2.2495271985397305
Energy: -0.006129184526786103
Energy: 4.114644953303936
Energy: 2.74699832238243
Energy: -0.17270590938872218
Energy: -0.6473269927406448
Energy: 1.7037247389100438
Energy: 0.07215372590402358
Energy: 3.3690481649551702
Energy: -0.635672396609051
Energy: -0.550635070350414
Energy: -0.505866347514189
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Energy: 5.149939054716522
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Energy: -0.5647809135452327
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Energy: -0.40578722774597104
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Energy: -0.5064354780113045
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Energy: -0.011351924492322465
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Energy: -0.5700620857959084
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Energy: 2.072335347383126
Energy: -0.3629785822142204
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Energy: 4.964916200276538
Energy: 5.185400578806469
Energy: 0.8210239608939176
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Energy: -1.5295899114371287
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Energy: 3.6800987281540265
Energy: 0.771884549768565
Energy: 2.9141699635241087
Energy: 0.9777140564225565
Energy: -25.356752109830076
Energy: 1.5585203393188545
Energy: 1.4299905022133697
Energy: -1.9440109811236423
Energy: 5.91890559663454
Energy: 2.0179560638456246
Energy: -1.529504335645571
Energy: 0.49360927780026287
Energy: 1.1492101044149428
Energy: -1.703454842157479
Energy: 1.1523120473351693
Energy: 1.8448731038710144
Energy: -1.6547552788203286
Energy: 1.4651228868622255
Energy: 1.5017547769549926
Energy: 0.00036226467849071495
Energy: 2.4036321316325076
Energy: -0.008932568680866827

minimum gb energy = -31.267411448419473 eV
minimum distance =  2.76374664104775 Angstroms
sigma value = 81


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

Energy: 19.104638254980156
Energy: 21.73871322957212
Energy: -21.031288183696468
Energy: -8.264372318977554
Energy: 21.609805496319755
Energy: 19.10969900337944
Energy: 19.65881315335197
Energy: 20.388462691282832
Energy: 19.55873912662367
Energy: 19.522185979417944
Energy: 19.43184025650156
Energy: 20.817123818887172
Energy: 21.073655789256247
Energy: 20.60566901791073
Energy: 19.56177014339001
Energy: 19.35294256164046
Energy: 19.04359824360446
Energy: 20.644670490709906
Energy: 21.15746663705287
Energy: 20.281860394801903
Energy: 19.710396863249187
Energy: 18.9637284251383
Energy: 21.15705111666273
Energy: 20.43027737207193
Energy: 20.89832277659174
Energy: 21.043692860537657
Energy: 20.46825285475402
Energy: 19.10608361540951
Energy: 20.51753997540552
Energy: 20.79838857215197
Energy: 19.785712213439623
Energy: -5.264652411794309
Energy: 19.10219336063774
Energy: 19.121145919012545
Energy: 20.502234703263042
Energy: 19.49946801983012
Energy: 19.56868208631672
Energy: 19.202818773549765
Energy: 20.61407859355268
Energy: 19.727212311152098
Energy: 20.592312023736696
Energy: 19.61457660929294
Energy: 19.521990122431745
Energy: 18.972031829548104
Energy: 20.880374057054542
Energy: 20.91828420365404
Energy: 20.417360298339705
Energy: 19.566961060501452
Energy: 19.637425439130475
Energy: 19.65947802162541
Energy: 20.658186338213635
Energy: 20.28578086991615
Energy: 20.60919982403581
Energy: 19.45607987008052
Energy: 19.111241571295512
Energy: 20.7767764855771
Energy: 20.517714699139834
Energy: 20.625562133905294
Energy: 20.563413485150914
Energy: 20.82570054403761

minimum gb energy = -21.031288183696468 eV
minimum distance =  2.76676253045072 Angstroms
sigma value = 3


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

Energy: -4.8862729909149705
Energy: -24.535506724828284
Energy: -25.206958273085405
Energy: -29.938010808963504
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Energy: -5.580435430400016
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Energy: -13.987537513993507
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Energy: -31.367734985979073
Energy: -24.932641194759068
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Energy: -25.714605718879156
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Energy: -32.22041109633789
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Energy: -30.053864201773543
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Energy: -27.11993486506101

minimum gb energy = -46.487939940402654 eV
minimum distance =  2.74460592524308 Angstroms
sigma value = 67


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

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Energy: -5.821448951699754
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Energy: -3.8549097710266866
Energy: -2.3277264608329618
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Energy: 1.0333797758503733
Energy: -0.2041684780320871
Energy: 1.032309588710656
Energy: -4.717638105053761

minimum gb energy = -40.409107697605414 eV
minimum distance =  2.79282109401426 Angstroms
sigma value = 33


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

Energy: 5.7490252751183535
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Energy: -12.04641703509428
Energy: -13.083859292031606
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Energy: -6.9059769658342205

minimum gb energy = -13.695619555359698 eV
minimum distance =  2.80602666918182 Angstroms
sigma value = 41


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

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Energy: -35.51246472913443
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Energy: -19.988484374975652
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Energy: -25.873036793464493
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Energy: 6.218772689038165
Energy: -26.024545960679827
Energy: -20.841040517569063
Energy: -19.605774187903567
Energy: -20.91385848838846
Energy: -48.52543350196922

minimum gb energy = -48.63589721314629 eV
minimum distance =  2.90322329594016 Angstroms
sigma value = 11


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

Energy: 4.439220756189823
Energy: -0.178652458629305
Energy: -1.8449940513115195
Energy: 0.011654629396230702
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minimum gb energy = -5.380991076436484 eV
minimum distance =  2.77567745492303 Angstroms
sigma value = 57


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

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Energy: 16.681669427510077
Energy: 16.595074737344483
Energy: 16.765973098594664
Energy: 16.67842906806655

minimum gb energy = -16.90727341540656 eV
minimum distance =  2.78432070924438 Angstroms
sigma value = 9


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

Energy: 23.63953235656673
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minimum gb energy = -66.8862459960209 eV
minimum distance =  2.77422754402494 Angstroms
sigma value = 27


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

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Energy: -19.590135798866832
Energy: -20.933068046480077
Energy: 16.276874935321036

minimum gb energy = -38.556401289160796 eV
minimum distance =  2.80753959371177 Angstroms
sigma value = 19


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

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Energy: -15.995200402654893
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Energy: -33.64296827993032
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Energy: -32.737378879028235
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Energy: -32.7344428458622
Energy: -33.63717316447313
Energy: -34.49049715676019
Energy: -9.923969347831141

minimum gb energy = -34.49049715676019 eV
minimum distance =  2.76387775095895 Angstroms
sigma value = 101


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

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Energy: -9.560348988115365
Energy: -1.4438308724614095
Energy: -1.1084004507080571
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Energy: 0.17573017147556
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Energy: -0.6823484837755047
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Energy: 2.303935557685097
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Energy: 10.086530778499302
Energy: 10.707424270462496
Energy: -0.8580969394476351
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Energy: 11.305434754405555
Energy: 1.291955132171948
Energy: 12.760535136122405
Energy: 11.445936725129162
Energy: 10.431201472761872
Energy: 11.116390836258496
Energy: -21.79510791652511
Energy: 0.33053324830991826
Energy: -0.863890821087894
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Energy: -0.6246115856754187
Energy: 12.54194211934966
Energy: -0.8022087481161843
Energy: 0.2748173299994788
Energy: 12.96931131539761
Energy: 12.74847972642644
Energy: -0.9209885499388817
Energy: 10.336511413369829
Energy: 2.0596244897904503
Energy: 5.170175217761509
Energy: 11.405953659998142
Energy: -1.1511352723569273
Energy: 11.606527268047
Energy: -0.6852088813496042
Energy: 12.752884011856889
Energy: 5.179084847898386
Energy: 12.415098607444946
Energy: 6.792271344334764
Energy: -0.8025999521048576
Energy: -4.572204146564331
Energy: 11.786535831505658
Energy: -0.9144921450624562
Energy: -1.4316541801736846
Energy: 2.3364077106299983
Energy: 13.483371086732378
Energy: 2.102375977733991
Energy: -1.0972691919174338
Energy: -0.5181358617054742
Energy: -0.2968880906075967
Energy: -0.42644830048799576
Energy: 13.486285643646688
Energy: -2.5082179454276576
Energy: -0.10510785582447875
Energy: 11.312608811748596
Energy: 2.3060573259377706
Energy: -0.20518046463247136
Energy: -0.6071982522826687
Energy: 2.0987679017304055
Energy: 13.387009606270821

minimum gb energy = -35.268395349051545 eV
minimum distance =  2.79949918109748 Angstroms
sigma value = 33


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