Model name: model_name=EAM_Dynamo_Marinica_2011_Fe__MO_255315407910_000
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=3.311687663197519
cohesive_energy=3.8792944251854573
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.017892369798742994
Energy: -0.01767906454509185
Energy: 0.017892369798742994
Energy: -0.017679064545465535
Energy: 0.017892369798742994
Energy: -0.017679064544718168
Energy: -0.017679064545465535
Energy: -7.428381301489413
Energy: -0.017679064545465535
Energy: -7.428381299606708
Energy: -0.017679064544718168
Energy: -7.428381300633342
Energy: 0.017892369798742994
Energy: -0.017679064544718168
Energy: 0.017892369798742994
Energy: -0.01767906454509185
Energy: 0.017892369798742994
Energy: -0.017679064545465535
Energy: -0.01767906454509185
Energy: -7.428381301146453
Energy: -0.017679064546545067
Energy: -7.428381300603365
Energy: -0.01767906454509185
Energy: -7.428381300816656
Energy: 0.017892369798742994
Energy: -0.017679064544718168
Energy: 0.017892369798742994
Energy: -0.01767906454509185
Energy: 0.017892369798742994
Energy: -0.017679064544718168
Energy: -0.017679064544718168
Energy: -7.428381303123744
Energy: -0.017679064544718168
Energy: -7.428381300855395
Energy: -0.01767906454434448
Energy: -7.428381303095635

minimum gb energy = -7.428381303123744 eV
minimum distance =  2.35136702671583 Angstroms
sigma value = 1


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

Energy: -8.804734372734568
Energy: -6.6015630314125735
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Energy: -8.674140827241478
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Energy: -9.364253198427047
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Energy: -8.80205878954538
Energy: -7.952771107040161
Energy: -8.546413152256475
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Energy: -7.669346078333122
Energy: -7.210318186987023
Energy: -8.063208010439356
Energy: -7.655255044586053
Energy: -7.350902215743317
Energy: -7.675320915591385
Energy: -7.373906413202
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Energy: -8.675296767904756
Energy: -7.6401765343532295
Energy: -7.706266549776999
Energy: -7.647031054828476

minimum gb energy = -9.857853877649546 eV
minimum distance =  2.3096913622458 Angstroms
sigma value = 33


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

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Energy: -6.041297343236512
Energy: -5.4834917546992745

minimum gb energy = -8.010005526345216 eV
minimum distance =  2.30159236377332 Angstroms
sigma value = 51


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

Energy: -6.468784840406012
Energy: -5.082229344406587
Energy: -5.813010338988259
Energy: -7.189800749609036
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Energy: -7.913855816595548
Energy: -5.221095044309743
Energy: -7.545609973205807
Energy: -5.225735138145309

minimum gb energy = -13.034913789676159 eV
minimum distance =  2.30682123553927 Angstroms
sigma value = 19


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

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Energy: 0.21536622902512084
Energy: -3.016916488671585
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Energy: -5.762719789911429
Energy: 0.1420710563940464
Energy: -5.711303341902708

minimum gb energy = -7.447484195856701 eV
minimum distance =  2.36512347028911 Angstroms
sigma value = 27


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

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Energy: -5.585995664416504
Energy: -7.547099199642813
Energy: -8.216976090646993
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Energy: -7.778340738895001
Energy: -8.676602963455363
Energy: -7.656216729382381
Energy: -8.754824600488488
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Energy: -7.254758253564669
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Energy: -7.529284382638426
Energy: -8.283235907262483
Energy: -7.6112768661968415
Energy: -8.052459572941572
Energy: -7.519937477944725

minimum gb energy = -8.856779341986595 eV
minimum distance =  2.28437878595107 Angstroms
sigma value = 9


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

Energy: -7.215641910447462
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Energy: -7.168658763097775
Energy: -6.169271510103761
Energy: -6.882721280354519
Energy: -6.996621727272968

minimum gb energy = -8.901583363653275 eV
minimum distance =  2.29461431237503 Angstroms
sigma value = 57


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

Energy: 0.6766131967396982
Energy: -8.754672305298307
Energy: 0.6766131967408
Energy: -6.871764959140789
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Energy: -7.1729706483791
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Energy: -9.545003928730711
Energy: -6.352709706026101
Energy: -7.294641830240023
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Energy: -3.33531279126331
Energy: -8.618683060829413
Energy: -7.343433485451225
Energy: -8.547480077562938
Energy: -3.5330289012415244
Energy: -8.765948268269694

minimum gb energy = -9.790775839233856 eV
minimum distance =  2.27166996839002 Angstroms
sigma value = 11


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

Energy: -5.690426720130098
Energy: -4.555783382224031
Energy: -5.21975738361634
Energy: -4.484374521983304
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minimum gb energy = -12.976876508497089 eV
minimum distance =  2.25724617409725 Angstroms
sigma value = 41


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

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minimum gb energy = -8.257717449418285 eV
minimum distance =  2.30907783886641 Angstroms
sigma value = 33


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

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minimum gb energy = -10.221575445704369 eV
minimum distance =  2.28456382319811 Angstroms
sigma value = 67


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

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Energy: -0.19719859516016058

minimum gb energy = -10.001605547179853 eV
minimum distance =  2.28534788663347 Angstroms
sigma value = 3


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

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minimum gb energy = -10.269681215476767 eV
minimum distance =  2.24466675537083 Angstroms
sigma value = 81


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

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Energy: -9.882550905098055
Energy: -9.94129261551256
Energy: -10.1783283141549
Energy: -9.187711585895249
Energy: -8.142240677566038
Energy: -9.1365982787193
Energy: -7.479206317824939
Energy: -9.250686760178018
Energy: -7.715918021151689

minimum gb energy = -10.660203122031291 eV
minimum distance =  2.27960839979783 Angstroms
sigma value = 43


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

Energy: -7.267484700773453
Energy: -8.098000617108282
Energy: -7.975531432588304
Energy: -7.956183524629708
Energy: -7.407080800809626
Energy: -8.156571308955924
Energy: -6.736417888169116
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Energy: -7.992946345259551
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Energy: -7.288494098640449
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Energy: -6.314614514305423
Energy: -7.6534876224164785
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Energy: -7.223875152707336
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Energy: -6.434535655153903
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Energy: -7.125708433935214
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Energy: -6.835273057530503
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Energy: -6.468298145662331
Energy: -7.010569296092551
Energy: -6.47828627038845
Energy: -6.807963760953724
Energy: -6.979035333807002
Energy: -7.208394681529447
Energy: -7.1434871681365895
Energy: -7.107965740553473
Energy: -6.916503045586117
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Energy: -7.103487922150049
Energy: -6.832264357278718
Energy: -7.199686004947004
Energy: -6.836698028222171
Energy: -7.165344817933845
Energy: -6.480194788729417

minimum gb energy = -8.401021430196037 eV
minimum distance =  2.27303514032139 Angstroms
sigma value = 57


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

Energy: -8.132980479107104
Energy: -10.26398717442665
Energy: -8.073733456653256
Energy: -9.979568789097726
Energy: -8.40613512538437
Energy: -9.918545334400942
Energy: -9.188949520453061
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Energy: -8.51789573337706
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Energy: -8.693591803722871
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Energy: -9.132949253481202
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Energy: -9.164942051275418
Energy: -9.378515227364561
Energy: -9.753018806062606
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Energy: -11.25459129954318
Energy: -9.09759495821538
Energy: -11.293473059639538
Energy: -9.194571324948567
Energy: -11.309638401561905
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Energy: -10.859244492110655
Energy: -8.458735114836358
Energy: -10.870356417256037
Energy: -8.535188764464813
Energy: -10.941075848640208
Energy: -8.720414563334801
Energy: -9.133887153809507
Energy: -10.380674096073779
Energy: -9.41689261024127
Energy: -10.681845730467193
Energy: -9.244912870495321
Energy: -10.835326329359235
Energy: -10.103711403952117
Energy: -8.175863326821608
Energy: -10.499313781607903
Energy: -8.751888152032214
Energy: -10.37546278753259
Energy: -8.466426998125081
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Energy: -9.78594120486803
Energy: -10.257324013192374
Energy: -9.954075392205043
Energy: -10.213471386739757
Energy: -9.810087827694302

minimum gb energy = -11.457560857604875 eV
minimum distance =  2.29315563939103 Angstroms
sigma value = 17


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

Energy: -11.265126570426675
Energy: -12.17306405057313
Energy: -11.159275858443701
Energy: -12.123793436118335
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Energy: -10.536982393658128
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Energy: -10.157480947202862
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Energy: -10.145414014957366
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Energy: -10.178982277656937
Energy: -10.864828516610542
Energy: -10.67073255862091
Energy: -10.881476693656449
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Energy: -9.772714268340872
Energy: -9.988804582709108
Energy: -9.75060365367889
Energy: -10.220585371679771
Energy: -9.788177174621703

minimum gb energy = -12.17306405057313 eV
minimum distance =  2.2760962458886 Angstroms
sigma value = 17


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

Energy: -9.679195724567437
Energy: -11.697906443943959
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Energy: -11.292575040249835
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Energy: -11.653637608064187
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Energy: -11.519020866724995
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Energy: -10.504936469353451
Energy: -10.796574915422182
Energy: -10.608252923682006
Energy: -10.687419911512787
Energy: -11.562169028209238
Energy: -10.790355172319597
Energy: -11.988488072562506
Energy: -12.234837447167276
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Energy: -10.920305399311019
Energy: -11.852302845259803
Energy: -10.956272231320316
Energy: -12.162778112776834

minimum gb energy = -14.221677475450075 eV
minimum distance =  2.26951724760081 Angstroms
sigma value = 57


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

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Energy: -11.052937338400886
Energy: -9.321853234497976
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Energy: -10.6104506768693
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Energy: -12.250615755733216
Energy: -10.361487599372541
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Energy: -10.02348840505765
Energy: -12.203885814145785
Energy: -12.172380505008354
Energy: -13.503193294470512
Energy: -11.439421290835334
Energy: -12.465268870888073
Energy: -11.042846873107472
Energy: -12.531373634279483
Energy: -12.809740972422548
Energy: -13.238239465991027
Energy: -12.05860211706703
Energy: -13.040199493537473
Energy: -12.717549209919623
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Energy: -10.937500405488173
Energy: -12.469799229217124
Energy: -10.966129172392991
Energy: -12.140755057342705
Energy: -11.16864340673983
Energy: -12.35894285437624
Energy: -12.10120796480011
Energy: -12.524126768974405
Energy: -11.997077218237273
Energy: -12.257783418638846
Energy: -12.03894357926815
Energy: -10.979401609505292

minimum gb energy = -14.36678034371014 eV
minimum distance =  2.26466668466753 Angstroms
sigma value = 43


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

Energy: -9.27516677165118
Energy: -9.654713883630121
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Energy: -10.107111289519189
Energy: -9.880352134537755
Energy: -10.416460976534818
Energy: -9.477456862866905

minimum gb energy = -11.194372147701227 eV
minimum distance =  2.2702389188364 Angstroms
sigma value = 81


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

Energy: 0.041819907451596076
Energy: -0.3662173056707948
Energy: 0.041819907451596076
Energy: -0.36621730567501387
Energy: 0.041819907451596076
Energy: -0.36621730567501387
Energy: -0.05583818777331333
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Energy: -0.3662173056707948
Energy: 0.04181990745370561
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Energy: -0.36621730567290434
Energy: 0.04181990745370561
Energy: -0.36621730567501387
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Energy: -0.3662173056813424
Energy: -0.05583818779651811
Energy: -9.457137646490418
Energy: -0.05583818778175144
Energy: -9.473961641545989
Energy: -0.05583818778597049
Energy: -9.378350920064761
Energy: -0.055402839216989706
Energy: -9.356728216628598
Energy: -0.05540283921488018
Energy: -9.49142315283208
Energy: -0.05540283921488018
Energy: -9.461777810492634
Energy: 0.041819907451596076
Energy: -0.3662173056707948
Energy: 0.041819907451596076
Energy: -0.36621730567923294
Energy: 0.041819907451596076
Energy: -0.36621730567923294

minimum gb energy = -9.764521474033698 eV
minimum distance =  2.31724275556827 Angstroms
sigma value = 3


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

Energy: -7.405288506339706
Energy: -8.154087481297413
Energy: -6.572955107187575
Energy: -8.062580033926055
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Energy: -6.860708056110709
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Energy: -6.045376906963488
Energy: -7.555619367436918
Energy: -5.872975225323951
Energy: -6.043669710738344
Energy: -5.75233730719766
Energy: -6.474559166355561
Energy: -5.523245020179502
Energy: -6.3787814494330055
Energy: -6.185915210640918
Energy: -6.822861116869374
Energy: -6.31429718386105
Energy: -5.9400538592571674
Energy: -6.546445762967906
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minimum gb energy = -8.343469854653955 eV
minimum distance =  2.25613842395056 Angstroms
sigma value = 67


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

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Energy: -8.661690692153211
Energy: -2.6047149779932024
Energy: -8.585741513984045
Energy: -2.5939762608057633

minimum gb energy = -12.896433813954916 eV
minimum distance =  2.24214871896012 Angstroms
sigma value = 33


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

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Energy: -6.1552493884371735

minimum gb energy = -8.255182415210227 eV
minimum distance =  2.30064418336267 Angstroms
sigma value = 41


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

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Energy: -7.333646761029243
Energy: -0.5475869397701091
Energy: -6.845864787531229
Energy: -0.5542833262560832
Energy: -7.930568682200005
Energy: -0.554283327366433
Energy: -7.876788536735673
Energy: -0.5542833296634384

minimum gb energy = -11.960781839091796 eV
minimum distance =  2.25186265936611 Angstroms
sigma value = 11


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

Energy: -5.635169283853699
Energy: -0.44590935131793574
Energy: -6.465173833817405
Energy: -0.44590939126416884
Energy: -6.45794079980138
Energy: -0.4459095449461856
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Energy: -4.967936805486809
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Energy: -4.953344502403928
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Energy: -6.8128920589719995
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Energy: -6.766203403869168
Energy: -5.113475140500765
Energy: -4.603572705737751
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Energy: -6.560818373311832
Energy: -4.725937558121613
Energy: -6.510769381580393
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Energy: -6.32663300882841
Energy: -4.854846775926423
Energy: -6.090005279198326
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Energy: -6.636142733799397
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Energy: -6.105698616869609
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Energy: -0.4615981752833735
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Energy: -0.46159817515065815
Energy: -4.561271565513006
Energy: -4.254198195506517
Energy: -4.532399015043052
Energy: -4.33989017936862
Energy: -4.7289146232800805
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Energy: -6.183708027412954
Energy: -0.5688992959490153
Energy: -6.569050383264922
Energy: -0.5688992803730362
Energy: -6.351828480846934
Energy: -0.5688992426132155
Energy: -5.04425588612211
Energy: -6.113007701588399
Energy: -6.641246766577466
Energy: -5.255182337685389
Energy: -6.48179072391513
Energy: -5.265929851730403
Energy: -4.686380714824297
Energy: -4.460118392087896
Energy: -4.716305699922168
Energy: -4.4304363478485485
Energy: -4.637132503175069
Energy: -6.41916977169427
Energy: -6.686854805201901
Energy: -4.500022918922544
Energy: -6.641197999193883
Energy: -4.451224533626572
Energy: -6.529468154609317
Energy: -4.502463165003442
Energy: -6.024614724517483
Energy: -6.51916519370563
Energy: -6.48600861222749
Energy: -6.677449243121569
Energy: -6.375503572180672
Energy: -6.408190683931045
Energy: -4.646316411461634
Energy: -6.5932647744171256
Energy: -4.555315844097626
Energy: -6.017182065245736
Energy: -4.560677729949115
Energy: -4.877473151259157
Energy: -5.400068777560042
Energy: -4.746888805924658
Energy: -5.773794653932899
Energy: -4.879275968603149
Energy: -6.224333084427289
Energy: -4.7545285003211095
Energy: -6.4174579875274045
Energy: -6.6777490309848
Energy: -6.650256162236482
Energy: -6.5234085575802565
Energy: -6.508279165764386
Energy: -6.394668190328016

minimum gb energy = -8.588434815222266 eV
minimum distance =  2.29121050818224 Angstroms
sigma value = 57


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

Energy: -0.6670772529792476
Energy: -5.43558541120901
Energy: -0.6703228529774689
Energy: -5.301629370246019
Energy: -10.392196215879594
Energy: -5.600296215968575
Energy: -4.802974636114793
Energy: -5.633880440427474
Energy: -4.752646247834163
Energy: -5.814049602512153
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Energy: -6.159718752957706
Energy: -5.717550754458822
Energy: -6.197315239741372
Energy: -5.724606665733949
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Energy: -4.614286565890741
Energy: -5.906778247450911
Energy: -4.545023339359814
Energy: -5.882712066810348
Energy: -4.582065246788406
Energy: -5.809893529733597
Energy: -5.679150678951995
Energy: -6.078883058609952
Energy: -5.5913856272301885
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Energy: -5.628753739603435
Energy: -6.08345917040003
Energy: -4.783669867183632
Energy: -5.685779105376966
Energy: -4.848223805795779
Energy: -5.460841931344233
Energy: -4.873036493091728
Energy: -5.4826753531291885
Energy: -0.6694533282641258
Energy: -5.266798518799789
Energy: -0.6704053743394234
Energy: -5.359718553632375
Energy: -10.295452794971839
Energy: -5.254414767125333
Energy: -4.879654452257773
Energy: -5.782211056717116
Energy: -4.831983512862118
Energy: -5.935380314429735
Energy: -4.735079450586204
Energy: -5.765388424030522
Energy: -5.675701631113668
Energy: -6.106890406646925
Energy: -5.754640217496666
Energy: -6.138749348238956
Energy: -5.7573128327414445
Energy: -6.186978186816992
Energy: -4.53935112519484
Energy: -5.893859772613187
Energy: -4.593997873789034
Energy: -5.874731492275673
Energy: -4.699575258406327
Energy: -5.860158773343989
Energy: -5.761752106477779
Energy: -6.115301684967973
Energy: -5.732599995012676
Energy: -6.1229163129704025
Energy: -5.753169256646125
Energy: -6.2256473086412365
Energy: -4.764350664106779
Energy: -5.498815699371264
Energy: -4.8353679364613384
Energy: -5.612343975936157
Energy: -4.756777736360307
Energy: -5.627147523281201
Energy: -10.482573995867517
Energy: -5.258358995579676
Energy: -0.6697849157357745
Energy: -5.477543424835866
Energy: -10.400113777976198
Energy: -5.511645061101945
Energy: -4.84314193817985
Energy: -5.661514556794187
Energy: -4.85325219148124
Energy: -5.6793210674811565
Energy: -4.8092069000941535
Energy: -5.81922818974859
Energy: -5.598728434064231
Energy: -6.101240585491252
Energy: -5.901489925901473
Energy: -6.147999207118612
Energy: -5.718433132722314
Energy: -6.183658460271745
Energy: -4.7304100444159936
Energy: -5.839777915076372
Energy: -4.722289755229137
Energy: -5.861416585288674
Energy: -4.536329350632396
Energy: -6.024707758271936
Energy: -5.602589788526128
Energy: -6.119557263789221
Energy: -5.812719346001007
Energy: -6.115916579434936
Energy: -5.656258831711589
Energy: -6.153985673206636

minimum gb energy = -10.482573995867517 eV
minimum distance =  2.3128452137654 Angstroms
sigma value = 9


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

Energy: -6.613322788395739
Energy: -0.4145645757270389
Energy: -6.542981279161827
Energy: -0.4145645757310166
Energy: -6.46846099811621
Energy: -0.41456457573201105
Energy: -10.022972262437095
Energy: -6.622002353347333
Energy: -9.534858262409612
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Energy: -9.572961546399222
Energy: -6.491900271887501
Energy: -0.44105524505783805
Energy: -6.335818610719359
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Energy: -0.6333859760170858
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Energy: -6.435308175303332
Energy: -6.408112798875339
Energy: -6.388096161378224
Energy: -6.341349453653282
Energy: -6.469713109270299
Energy: -6.16771444060693
Energy: -9.849188329346012
Energy: -0.6830299137564231
Energy: -9.92985637542669
Energy: -0.6830299137732834
Energy: -9.914214695830694
Energy: -0.6830299137911833
Energy: -7.785921110219558
Energy: -10.04677069706903
Energy: -7.535369740220969
Energy: -7.851211474248319
Energy: -7.693743032334237
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Energy: -0.38555317696424185
Energy: -6.592762381598454
Energy: -0.3855531769016373
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Energy: -0.5880694692652958
Energy: -0.6684876983633284
Energy: -0.5880694692732513
Energy: -0.6684876790509436
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Energy: -10.124873042136835
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Energy: -8.603014464801188
Energy: -6.421141985786616
Energy: -9.419648874732463
Energy: -6.250672906621747
Energy: -10.179670199959219
Energy: -6.316654944819341
Energy: -9.370027901458753
Energy: -6.124390224270292
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Energy: -6.0365808065677085
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Energy: -6.366499222348772
Energy: -9.716976299117857
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Energy: -10.007269245309544
Energy: -9.852532118761845
Energy: -5.955341705203393
Energy: -7.985360397616581
Energy: -6.052636701962138
Energy: -7.846686376614538
Energy: -5.895422280142163
Energy: -9.11816311595988
Energy: -9.365061977893953
Energy: -9.604124790489276
Energy: -7.832269355649275
Energy: -9.335273136654395
Energy: -9.184403706020326
Energy: -6.345204273207194
Energy: -10.091263804635473
Energy: -6.342970876552647
Energy: -10.042584759195766
Energy: -6.220458740997341
Energy: -9.929425730737297
Energy: -6.631676721146006
Energy: -6.2736804287006365
Energy: -6.531480829949869
Energy: -6.352154838661579
Energy: -6.561223393158231
Energy: -6.493746052143296
Energy: -9.93238323803103
Energy: -0.6819788573695497
Energy: -9.930385124173961
Energy: -0.6819782338293691
Energy: -10.293569040812415
Energy: -0.6819785765301796
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Energy: -9.60027494212121
Energy: -6.147930993239479
Energy: -9.389800157531457
Energy: -6.245592989738763
Energy: -9.30662930814259

minimum gb energy = -10.293569040812415 eV
minimum distance =  2.30312330685908 Angstroms
sigma value = 27


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

Energy: -5.48907872797881
Energy: -7.0317956968768245
Energy: -5.591924363953298
Energy: -7.131704545588249
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Energy: -5.444949409098162
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Energy: -8.767347599690824
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Energy: -9.261609078131936
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Energy: -9.383651647048081
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Energy: -9.066256077082969
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Energy: -5.318956143929533
Energy: -5.653329445345083
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Energy: -5.532240715623292
Energy: -5.380030271090331
Energy: -5.577641298786943
Energy: -9.035032343390736
Energy: -5.2936665015414714
Energy: -9.109645206502895
Energy: -5.224568651705694
Energy: -9.26644471902434
Energy: -5.2608223687777915
Energy: -5.456673521070495
Energy: -5.724360647426883
Energy: -5.465739681222277
Energy: -5.758303565382284
Energy: -5.48661245379067
Energy: -5.7263030166325875
Energy: -5.315027599001365
Energy: -5.498935515930277
Energy: -5.530205066845696
Energy: -5.468245087023375
Energy: -5.415455978561634
Energy: -5.483283584624343

minimum gb energy = -11.691084069826747 eV
minimum distance =  2.30335003774409 Angstroms
sigma value = 19


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

Energy: -8.960642831606545
Energy: -3.5572596786588395
Energy: -9.153824635334184
Energy: -3.4948164175150658
Energy: -9.11429107572038
Energy: -3.581266394014184
Energy: -4.165073095817718
Energy: -4.210501033361203
Energy: -4.123147504399895
Energy: -4.109574683557047
Energy: -4.049628977630887
Energy: -4.250157657399853
Energy: -4.228655997094532
Energy: -5.945745340091753
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Energy: -4.071903973805546
Energy: -4.403305708571264

minimum gb energy = -9.153824635334184 eV
minimum distance =  2.30201729155737 Angstroms
sigma value = 101


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

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Energy: -0.3266319979180736
Energy: -0.2413457931140361
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Energy: -0.2413455529626451
Energy: -0.7178686140163024
Energy: -0.7128806526762576
Energy: -0.717868614009942
Energy: -0.7128806533088342
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Energy: -0.7709481153798632
Energy: -4.511389955255404
Energy: -0.7709481155724983
Energy: -4.430124361168664
Energy: -0.7709481153709585

minimum gb energy = -8.91049686350454 eV
minimum distance =  2.2414844275542 Angstroms
sigma value = 33


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

Energy: 0.0202933771766408
Energy: 0.31077766190865896
Energy: 0.020293377177139908
Energy: 0.31077766190865896
Energy: 0.0202933771766408
Energy: 0.3107776619081305
Energy: 0.09729116469523252
Energy: -0.7819323670382291
Energy: 0.09729116469420494
Energy: -0.7819323670397852
Energy: 0.09729116469523252
Energy: -0.7819323670408127
Energy: -7.237741150903401
Energy: -0.783340072325268
Energy: 0.31103647155183617
Energy: -0.7833400723237415
Energy: 0.3110364715544198
Energy: -0.7833400723257965
Energy: 0.09729116469420494
Energy: -0.7819323670387283
Energy: 0.09729116469370583
Energy: -0.781932367042868
Energy: 0.09729116469317735
Energy: -0.7819323670397852

minimum gb energy = -7.237741150903401 eV
minimum distance =  2.31326049316158 Angstroms
sigma value = 1