Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Fe__MO_147603128437_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863848514854908
cohesive_energy=4.177572505228375
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.01577006464740846
Energy: 0.10557666657181962
Energy: 0.015770064646615133
Energy: 0.10557564733455715
Energy: 0.01577006464702313
Energy: 0.10557648048665241
Energy: 0.01577006464702313
Energy: 0.016890132287447453
Energy: 0.7994767045268849
Energy: 0.016890132287447453
Energy: 0.7994767045284716
Energy: 0.016890132287447453
Energy: 0.7994767045288796
Energy: 0.016890132287832788
Energy: 0.01788347684589165
Energy: 0.6906328932986934
Energy: 0.018271071964523492
Energy: 0.6906275452898109
Energy: 0.018273296256228772
Energy: 0.6906409583980372
Energy: 0.018286077502443026
Energy: 0.01689013228663146
Energy: 0.7994767045280636
Energy: 0.016890132286246126
Energy: 0.7994767045244824
Energy: 0.01689013228663146
Energy: 0.7994767045280636
Energy: 0.01689013228663146
Energy: 0.01577006464702313
Energy: 0.10557646530963895
Energy: 0.01577006464702313
Energy: 0.10558111361204478
Energy: 0.01577006464702313
Energy: 0.10557571096662109
Energy: 0.015770064646615133
Energy: 0.01689013228663146
Energy: 0.7994767045277009
Energy: 0.016890132286246126
Energy: 0.7994767045277009
Energy: 0.016890132287039457
Energy: 0.7994767045268849
Energy: 0.016890132286246126

minimum gb energy = 0.015770064646615133 eV
minimum distance =  2.47609352477755 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.1576644174912933
Energy: 1.1125856302847985
Energy: 1.1576567903332844
Energy: 1.112581679745979
Energy: 1.1576592750265182
Energy: 1.1125811664519518
Energy: 1.157680430915479
Energy: 0.9119883996494429
Energy: 0.941135222509032
Energy: 0.9119864439882933
Energy: 0.9411028781907503
Energy: 0.9119907670773426
Energy: 0.9411392423302508
Energy: 0.9120153973211912
Energy: 0.8679727410388842
Energy: 0.9356087929214599
Energy: 0.8679579131258128
Energy: 0.9360126815961696
Energy: 0.867970719555193
Energy: 0.9360212060709644
Energy: 0.8679752403970249
Energy: 0.8957721659679553
Energy: 0.9126679651992359
Energy: 0.8957726652479842
Energy: 0.9127012076824647
Energy: 0.8957387994859423
Energy: 0.9126968583571322
Energy: 0.8957442837877045
Energy: 0.6326078797028374
Energy: 0.9043134216872398
Energy: 0.6326076851151405
Energy: 0.9042835406088059
Energy: 0.6323775178773396
Energy: 0.904329641218438
Energy: 0.632645554411297
Energy: 0.6707773180387614
Energy: 1.0020371694657733
Energy: 0.6712806215068476
Energy: 1.0020392950723107
Energy: 0.671354303728235
Energy: 1.0020658783037601
Energy: 0.671252173725134
Energy: 1.0049189728104808
Energy: 0.889311185526329
Energy: 1.0049730782581254
Energy: 0.889268842933836
Energy: 1.0049321068095043
Energy: 0.8892683838953604
Energy: 1.0049823006323686
Energy: 0.8730211018840033
Energy: 0.946068048088843
Energy: 0.8730823341734297
Energy: 0.9461039903218963
Energy: 0.872842557010626
Energy: 0.946087461560529
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Energy: 0.8605143525823418
Energy: 0.9343222285223443
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Energy: 0.9707224461960119
Energy: 0.9221990467811804
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Energy: 0.9706966041833663
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Energy: 0.892656502111054
Energy: 0.9238331677665906
Energy: 0.8927206817635138
Energy: 0.923825499873054
Energy: 0.8926488946526874
Energy: 0.9238435753834943
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Energy: 0.8685005751349284
Energy: 0.7089884854427282
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Energy: 0.7085622108014467
Energy: 0.8681569908423457
Energy: 0.7085469639735089
Energy: 0.9582946025991534
Energy: 0.9093393727488656
Energy: 0.9582910163094136
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Energy: 0.9582899639595549
Energy: 0.9089346656513322
Energy: 0.9582589449291488
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Energy: 0.8320367903541196
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Energy: 0.969994597135109
Energy: 0.9023619990878411
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Energy: 0.8825515040805858
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Energy: 0.8825432081093
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Energy: 1.0025328446336708
Energy: 0.8842070457764041
Energy: 1.002529325191506
Energy: 0.8842084327182357
Energy: 1.0025177996491668
Energy: 0.8841855743476167
Energy: 1.0025260470071236
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Energy: 0.9789866175103473
Energy: 0.9110775626538679
Energy: 0.9782105448309705
Energy: 0.9107958811393978
Energy: 0.9724704833014786
Energy: 0.91108557996844
Energy: 0.7326905274568271
Energy: 0.8846114812127923
Energy: 0.7326915889437691
Energy: 0.8845525259316962
Energy: 0.7326895063020012
Energy: 0.8845882645154234
Energy: 0.7326921086487835
Energy: 0.9330391790945479
Energy: 0.9253291606021645
Energy: 0.9330394636828955
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Energy: 0.9330369771467286
Energy: 0.9253030793052407
Energy: 0.9330315001508579
Energy: 0.8637104920111928
Energy: 0.8642264351119636
Energy: 0.8631970945977535
Energy: 0.8642013267550304
Energy: 0.8636560572075073
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Energy: 0.8317597817933325
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Energy: 0.9708220546524068
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Energy: 0.5706674158544898
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Energy: 0.8816682817707973
Energy: 0.9247811430346429
Energy: 0.8816686426438914
Energy: 0.9248084874456817
Energy: 0.8812830089191599
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Energy: 0.900277803129489
Energy: 0.8564216222769704
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Energy: 0.856420967551773
Energy: 0.900298094041003
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Energy: 0.8335581882090976
Energy: 1.001206150688506
Energy: 0.8335877064804544
Energy: 1.001224253457737
Energy: 0.8336223404385223
Energy: 0.6938013853348095
Energy: 0.9524754139550127
Energy: 0.6938415224831613
Energy: 0.9524763074792867
Energy: 0.6933519564704959
Energy: 0.9524763263176089
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Energy: 0.8253412553513598
Energy: 0.9509841720641151
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Energy: 0.9509575990980161
Energy: 0.8253267293440457
Energy: 0.9509470801654452
Energy: 0.8253333518686263
Energy: 0.9038015893683736
Energy: 0.9013485037170273
Energy: 0.9038013428688108
Energy: 0.9013555146795182
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Energy: 0.8612454484397718
Energy: 0.8714640317350089
Energy: 0.8557080241866056
Energy: 0.8715558183191138
Energy: 0.8613532747501406
Energy: 0.8715435909089615
Energy: 0.855914446487997
Energy: 0.9436217662015709
Energy: 0.8973068249260575
Energy: 0.9436328728437094
Energy: 0.8972767193461076
Energy: 0.9436242506590051
Energy: 0.8972442155440669
Energy: 0.9433018839284351
Energy: 0.7874025005794746
Energy: 0.9502016158134813
Energy: 0.7873686390045388
Energy: 0.9515502923197866
Energy: 0.7874148347319232
Energy: 0.9513816270493941
Energy: 0.7873793480517457
Energy: 0.9692480125326766
Energy: 0.9700320192479056
Energy: 0.9687892389536423
Energy: 0.9700280822510869
Energy: 0.9693064543575385
Energy: 0.9704919087818841
Energy: 0.9688754233617454
Energy: 0.8979467576653025
Energy: 0.8947939163490445
Energy: 0.8979612683257426
Energy: 0.8947837895318757
Energy: 0.8979495800186524
Energy: 0.8947865252430147
Energy: 0.898427047347774
Energy: 0.6293628007221722
Energy: 0.8280815677999657
Energy: 0.6294202695490905
Energy: 0.8280978534538387
Energy: 0.629756874287108
Energy: 0.8285782458059441
Energy: 0.6294311950305129
Energy: 0.9903889703690925
Energy: 0.7692942032764315
Energy: 0.9903848452125777
Energy: 0.7685968176908594
Energy: 0.990392788558309
Energy: 0.7693097684073771
Energy: 0.9903742954834232

minimum gb energy = 0.5648531121088372 eV
minimum distance =  2.38288099353577 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.030310955675757
Energy: 1.1535747739255946
Energy: 1.0451550742570024
Energy: 1.1535747739244884
Energy: 1.030310955676813
Energy: 1.1535747739250415
Energy: 1.0451555088783238
Energy: 0.9509058689467684
Energy: 1.041081987471526
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Energy: 1.0394627162610341
Energy: 0.7981896352675099
Energy: 0.9173019391084967
Energy: 0.3884893927203903
Energy: 0.9173019391118161
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Energy: 0.7926505799359104
Energy: 1.1230944643161915
Energy: 0.7926505799353573
Energy: 1.1236794560174355
Energy: 0.7926505799331444
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Energy: 1.0226669942403779
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Energy: 0.745067751503673
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Energy: 0.38848939272149674
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Energy: 1.1236794560174355
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Energy: 1.124589926825319
Energy: 1.0143711304258243
Energy: 1.124589926828085
Energy: 1.0143711304169727
Energy: 1.124589926828085
Energy: 1.0143711304169727
Energy: 0.9411966506703711
Energy: 1.124405918100226
Energy: 0.9733317967511053
Energy: 1.1244409578157997
Energy: 0.9411966506792225
Energy: 1.1244059180941406
Energy: 0.9733317967511053
Energy: 1.0031966608104061
Energy: 1.1245272116602794
Energy: 1.0044473034581158
Energy: 1.1242372936309895
Energy: 1.0031966607998946
Energy: 1.1245272116569602
Energy: 1.0044473034542434
Energy: 0.9101527711895596
Energy: 0.8817893334647979
Energy: 0.9087013216039159
Energy: 0.8817893334587126
Energy: 0.9101527711845806
Energy: 0.881789333462585
Energy: 0.9087013216033626
Energy: 0.9299567461816346
Energy: 0.8198201006675052
Energy: 0.9299458855938717
Energy: 0.8198201006823918
Energy: 0.9299567461860602
Energy: 0.8198201006768596
Energy: 0.9299458855839138
Energy: 0.7240516416956176
Energy: 1.0395652461614022
Energy: 0.7240516417066821
Energy: 1.039565246158636
Energy: 0.724051641707185
Energy: 1.0395652461663811
Energy: 0.7240516417033628
Energy: 0.6850481246787526
Energy: 1.0226669942392717
Energy: 0.685048124674327
Energy: 1.0226669942425908
Energy: 0.6850481246505384
Energy: 1.0226669942459103
Energy: 0.6850481246759865
Energy: 1.0451802886542478
Energy: 1.1535747739305737
Energy: 1.045148518857169
Energy: 1.1535747739222755
Energy: 1.0457602637965653
Energy: 1.1535747739217221
Energy: 1.0451658315753953
Energy: 0.8332889284263819
Energy: 1.0245262729690352
Energy: 0.833288928421956
Energy: 1.0245188543844534
Energy: 0.8332889284263819
Energy: 1.0245262729729077
Energy: 0.8332889284241689

minimum gb energy = 0.38509107482933597 eV
minimum distance =  2.38386565472248 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.9486389647545341
Energy: 1.0662793576519054
Energy: 1.064417458783632
Energy: 0.9005685507693558
Energy: 0.9486389647532565
Energy: 1.0662793576538219
Energy: 1.064417458783632
Energy: 0.9166637687786084
Energy: 0.8599305316097697
Energy: 0.7048018385797564
Energy: 0.7444831333015369
Energy: 0.9166637687779696
Energy: 0.8599305316116863
Energy: 0.7048018385797564
Energy: 0.9376900716977052
Energy: 0.8594167280147437
Energy: 0.9368158763865811
Energy: 0.8432678472461539
Energy: 0.9376900716977052
Energy: 0.859416728010272
Energy: 0.9368158763846648
Energy: 0.8428894031124688
Energy: 0.8811661106944104
Energy: 0.9266196786664129
Energy: 0.8811661107001596
Energy: 0.8428894031105816
Energy: 0.8811661106976044
Energy: 0.9266196786676905
Energy: 1.092786017128753
Energy: 0.9225369894541975
Energy: 1.0942672328241676
Energy: 0.922536989452281
Energy: 1.0927860171325858
Energy: 0.9225369894573915
Energy: 1.0942672328241676
Energy: 0.5905006001273032
Energy: 0.7029508265665032
Energy: 0.5905006001298584
Energy: 0.7029508265665032
Energy: 0.5905006001292197
Energy: 0.7029508265665032
Energy: 0.590500600127942
Energy: 0.7776554637454873
Energy: 0.9668512968511996
Energy: 0.7776554637448485
Energy: 0.9668512968505607
Energy: 0.7776554637454873
Energy: 0.9668512968518383
Energy: 0.7776554637435709
Energy: 0.8256255690331216
Energy: 0.9227082226423711
Energy: 0.8256255690331216
Energy: 0.9227082226423711
Energy: 0.8256255690337604
Energy: 0.9227082226398159
Energy: 0.8256255690299277
Energy: 0.9250226590834845
Energy: 0.9148281252609436
Energy: 0.9250226590834845
Energy: 0.9148281252609436
Energy: 0.9250226590809293
Energy: 0.9148281252590271
Energy: 0.925022659084762
Energy: 1.030960316508997
Energy: 0.9495553131437008
Energy: 0.996287843195799
Energy: 0.9495275367363466
Energy: 1.0309603165077197
Energy: 0.9495553131437008
Energy: 0.996287843195799
Energy: 0.9720661919229208
Energy: 0.8670347133749486
Energy: 0.9721547034751205
Energy: 0.8683938820978716
Energy: 0.9720661919254759
Energy: 0.8670347133755876
Energy: 0.9721547034744815
Energy: 0.9285691941068416
Energy: 1.1461738708752562
Energy: 0.928569194105564
Energy: 1.1337054826307142
Energy: 0.9285691941062029
Energy: 1.1461738708752562
Energy: 0.928569194105564
Energy: 0.881030358168833
Energy: 0.921024784069214
Energy: 0.8810303581662778
Energy: 0.921024784065381
Energy: 0.8810303581701106
Energy: 0.9210247840672975
Energy: 0.8810303581681941
Energy: 0.9557486502159841
Energy: 0.9019939144837725
Energy: 0.9557486502134289
Energy: 0.9019939144863278
Energy: 0.9557486502134289
Energy: 0.9019939144831338
Energy: 0.9557486502153452
Energy: 0.8547661486151089
Energy: 0.8059565280430231
Energy: 0.8547661486151089
Energy: 0.8059565280391903
Energy: 0.8547661486125536
Energy: 0.8059565280404679
Energy: 0.85476614861447
Energy: 1.0846985720402353
Energy: 1.107415902313004
Energy: 1.0846985720383189
Energy: 1.107415902314891
Energy: 1.08469857203768
Energy: 1.107415902314891
Energy: 1.0846985720395963
Energy: 0.9780266892586907
Energy: 0.7845933161435941
Energy: 0.9776985028184275
Energy: 0.7845933161461492
Energy: 0.978026689258052
Energy: 0.7845933161442329
Energy: 0.9776985028171498
Energy: 0.7713018889848828
Energy: 1.0026442227737118
Energy: 0.7713922318424583
Energy: 1.002339442391942
Energy: 0.7713018889836053
Energy: 1.0026442227730727
Energy: 0.7713922318430971
Energy: 1.0922424845962977
Energy: 1.0885797763970757
Energy: 1.092242484599492
Energy: 1.0885797763983536
Energy: 1.0922424845962977
Energy: 1.0885797763989922
Energy: 1.0922424845982142
Energy: 1.1251497626806628
Energy: 0.997932111951969
Energy: 1.062318082784016
Energy: 0.9964142564762066
Energy: 1.1251497626793852
Energy: 0.9979321119545241
Energy: 1.0623180827846548
Energy: 0.8919956196359364
Energy: 0.8948403931442449
Energy: 0.8919956196384916
Energy: 0.8948403931442449
Energy: 0.8919956196378528
Energy: 0.894840393143606
Energy: 0.8919956196359364
Energy: 0.5605332862062768
Energy: 0.7238025545862512
Energy: 0.5605332862049993
Energy: 0.7205732749548965
Energy: 0.5605332862069157
Energy: 0.7238025545843346
Energy: 0.5605332862069157
Energy: 1.0020820893068318
Energy: 1.0485869334490119
Energy: 1.1540794397208405
Energy: 0.9746732453525433
Energy: 1.0020820893042766
Energy: 1.048586933448373
Energy: 1.1635745169626452
Energy: 0.8761871342724997
Energy: 0.9485178332540365
Energy: 0.9674722135994107
Energy: 0.6989037116953152
Energy: 0.876187134271222
Energy: 0.9485178332540365
Energy: 0.9674722136006885
Energy: 1.0401035990589522
Energy: 0.8971283128736819
Energy: 1.0400524264997013
Energy: 0.9002330253649287
Energy: 1.0401035990589522
Energy: 0.8971283128717653
Energy: 1.0400524264990623
Energy: 0.9892968745571364
Energy: 0.8779425056544983
Energy: 0.990205965868782
Energy: 0.8193710028268447
Energy: 0.9892968745577754
Energy: 0.877942505655776
Energy: 0.9902059658726147
Energy: 0.8667969879933655
Energy: 0.9041831837207848
Energy: 0.9748588780975846
Energy: 0.9041831837207848
Energy: 0.9748729019135927
Energy: 0.9041831837220622
Energy: 0.9748588780956683
Energy: 1.0054776309125935
Energy: 1.012923861930835
Energy: 1.0054776309151487
Energy: 1.0129238619301963
Energy: 1.00547763091451
Energy: 1.012923861930835
Energy: 1.00547763091451
Energy: 0.6665497577830128
Energy: 0.9005405437897888
Energy: 0.66654975777918
Energy: 0.9005405437917051
Energy: 0.6665497577836517
Energy: 0.9005405437897888
Energy: 0.6665497577836517
Energy: 0.878099254417467
Energy: 0.8688357610122001
Energy: 0.8780992544187446
Energy: 0.951842226164997
Energy: 0.8780992544168281
Energy: 0.8688357610090061
Energy: 0.878099254417467
Energy: 1.1196569849798177
Energy: 0.9746752350985742
Energy: 0.9732842361691504
Energy: 0.9746752351017683
Energy: 1.019910342087652
Energy: 0.974675235099852
Energy: 1.0199103420870133
Energy: 1.0075787225949466
Energy: 0.919861858169167
Energy: 1.0074817041225437
Energy: 0.9230550890326069
Energy: 1.0075787225962243
Energy: 0.9198618581704447
Energy: 1.0074817041257376
Energy: 0.9095957034238094
Energy: 0.9397502213630674
Energy: 0.909599445008442
Energy: 0.9415558007188858
Energy: 0.9095957034225317
Energy: 0.9397502213630674
Energy: 0.9095994450078032
Energy: 0.92426390578717
Energy: 1.056713808407667
Energy: 0.9242639057858925
Energy: 0.6177601437691536
Energy: 0.9242639057884477
Energy: 1.056713808407667
Energy: 0.9242639057865313
Energy: 1.0283916630333232
Energy: 0.9634782537177717
Energy: 0.710350991522419
Energy: 0.9497283796789483
Energy: 0.8831280645539806
Energy: 0.9634782537158554
Energy: 0.9785193879624344
Energy: 0.8208630476803492
Energy: 0.8779095511626294
Energy: 0.8208630476809882
Energy: 0.8779095511632682
Energy: 0.8208630476797105
Energy: 0.8779095511639071
Energy: 0.8208630476797105

minimum gb energy = 0.5605332862049993 eV
minimum distance =  2.23625780731194 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.8797247088722105
Energy: 0.5126678065107307
Energy: 0.8797216848111769
Energy: 0.5127612679775911
Energy: 0.8793164814266111
Energy: 0.512660097308549
Energy: 0.8793144644065473
Energy: 0.5750044200795025
Energy: 0.37692765349428536
Energy: 0.575029762941647
Energy: 0.3768844268575666
Energy: 0.5750547089839343
Energy: 0.37681121115473987
Energy: 0.5750263639370279
Energy: 0.8788145954082808
Energy: 0.429641786432976
Energy: 0.878793054950087
Energy: 0.4295720518707157
Energy: 0.8788034118040138
Energy: 0.42959271153515494
Energy: 0.8788121264616586
Energy: 0.35270093892799437
Energy: 0.3263886979053173
Energy: 0.3530009532061381
Energy: 0.3263825881370655
Energy: 0.3532249080969622
Energy: 0.3263763070555376
Energy: 0.3528135990586422
Energy: 0.48819454576023713
Energy: 0.5462094124708864
Energy: 0.4881958221523092
Energy: 0.5461907770359457
Energy: 0.488174029636781
Energy: 0.5462108205592633
Energy: 0.4881939908907777
Energy: 0.49064144694003714
Energy: 0.32652410287080436
Energy: 0.4907216694737661
Energy: 0.32651834587220846
Energy: 0.4906648104744257
Energy: 0.32653313742184226
Energy: 0.49067427127772323
Energy: 0.6613948783426652
Energy: 0.45023363641521713
Energy: 0.661370552957694
Energy: 0.45025422677864807
Energy: 0.9019482831094942
Energy: 0.45025119573798494
Energy: 0.9739589637128203
Energy: 0.5655754788041006
Energy: 0.4407335073935091
Energy: 0.5655512568413458
Energy: 0.44075136070703935
Energy: 0.5655506852764146
Energy: 0.4407088398070539
Energy: 0.5655998159304988
Energy: 0.4808593725252037
Energy: 0.5454023490902351
Energy: 0.4808749348948645
Energy: 0.5453937600807214
Energy: 0.4808612718375896
Energy: 0.5454194270872141
Energy: 0.4808714397415805
Energy: 0.6647874421220551
Energy: 0.5170817314582209
Energy: 0.6647972689481276
Energy: 0.5170522061988178
Energy: 0.6647914517667209
Energy: 0.5175325200952182
Energy: 0.6647929787360994
Energy: 0.4719423595941397
Energy: 0.3246507537571542
Energy: 0.7267077818333019
Energy: 0.3247227087286735
Energy: 0.7267077818340557
Energy: 0.3246860317341102
Energy: 0.7267077818340557
Energy: 0.6495459047139902
Energy: 0.33091955509081705
Energy: 0.6495269717909677
Energy: 0.3309208058440243
Energy: 0.649529860106721
Energy: 0.3308903035510127
Energy: 0.64953818096779
Energy: 0.47645952594153873
Energy: 0.5540857137606071
Energy: 0.4764446130549732
Energy: 0.5540785794767478
Energy: 0.47642367289026955
Energy: 0.5540442359337555
Energy: 0.4764289463468214
Energy: 0.6645136170478416
Energy: 0.3308524310011323
Energy: 0.6645133843867926
Energy: 0.33087085463697874
Energy: 0.6645152538643938
Energy: 0.3308682353679195
Energy: 0.664519109679468
Energy: 0.062161065139858494
Energy: 0.8302857253528114
Energy: 0.06231058740193462
Energy: 0.8302911834413143
Energy: 0.29847310888788164
Energy: 0.8304571537205462
Energy: 0.2984731088871278
Energy: 0.6645021216202044
Energy: 0.33091907777027735
Energy: 0.6645035012957733
Energy: 0.3309487263394574
Energy: 0.6645042068463595
Energy: 0.3309470454350084
Energy: 0.664499641961482
Energy: 0.4764590634219638
Energy: 0.5542031371533
Energy: 0.4764432943361035
Energy: 0.5541768318882311
Energy: 0.4765061060533669
Energy: 0.5542134833621906
Energy: 0.47655763296427445
Energy: 0.6566327516765345
Energy: 0.3308334000274329
Energy: 0.6566446456113134
Energy: 0.33080874874609545
Energy: 0.6566515299961112
Energy: 0.3309280933108603
Energy: 0.6566502890069966
Energy: 0.6892422010291738
Energy: 0.3250733512996554
Energy: 0.6892011877339456
Energy: 0.32512973764310227
Energy: 0.6891932457312759
Energy: 0.3250948317129697
Energy: 0.6892228959289356
Energy: 0.6648149262198289
Energy: 0.49098439343632777
Energy: 0.6647922567108688
Energy: 0.49099843844920105
Energy: 0.6647947776233007
Energy: 0.49104510232542187
Energy: 0.664790599185337
Energy: 0.48129200634848607
Energy: 0.5454212097469161
Energy: 0.4812822810840145
Energy: 0.5454200944089485
Energy: 0.4812891067735684
Energy: 0.5454263104463859
Energy: 0.48127851420885587
Energy: 0.5654931001757268
Energy: 0.45317915212117593
Energy: 0.5655055027036736
Energy: 0.4532162208045541
Energy: 0.5655357724569128
Energy: 0.4531677145643476
Energy: 0.5654971275429637
Energy: 0.6736617582842542
Energy: 0.4506444290947891
Energy: 0.6736525013396321
Energy: 0.4506291616058813
Energy: 0.6736201659591877
Energy: 0.45062521767145375
Energy: 0.6736598829362995
Energy: 0.4900452881083245
Energy: 0.32648461800764295
Energy: 0.4901522209477846
Energy: 0.3264769953076092
Energy: 0.49013324633395594
Energy: 0.32647123833611974
Energy: 0.49010691441193516
Energy: 0.4883788379584434
Energy: 0.5462034469067499
Energy: 0.48836973748542134
Energy: 0.5461943646091934
Energy: 0.4883721239201009
Energy: 0.5461924987231505
Energy: 0.4883731795252048
Energy: 0.3528626038016177
Energy: 0.3263152918742704
Energy: 0.3529879769633148
Energy: 0.32634171877543633
Energy: 0.3528863018744074
Energy: 0.32633660613783755
Energy: 0.35272238903176634
Energy: 0.8787169068082108
Energy: 0.4305713490460569
Energy: 0.8787139224470099
Energy: 0.4303841308563413
Energy: 0.878711624238636
Energy: 0.4306036768206811
Energy: 0.8787158227714512
Energy: 0.5748953144619883
Energy: 0.37685783474787576
Energy: 0.5748720198284876
Energy: 0.3768207440925133
Energy: 0.5748981289402173
Energy: 0.3767624510652237
Energy: 0.574873265742964
Energy: 0.8792890077590437
Energy: 0.5126687609069265
Energy: 0.8793029870662022
Energy: 0.5126325815628373
Energy: 0.8797417646387171
Energy: 0.512665737890332
Energy: 0.8797252827053825
Energy: 0.5750260489026529
Energy: 0.3769122063537895
Energy: 0.575028228384508
Energy: 0.37683475252232
Energy: 0.575028191839137
Energy: 0.37674770900884935
Energy: 0.5750322542679819

minimum gb energy = 0.062161065139858494 eV
minimum distance =  2.39302006811066 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.8025342577296177
Energy: 0.5352314845147486
Energy: 0.8027905766379576
Energy: 0.5354085963494055
Energy: 0.802496844883163
Energy: 0.5352541794715182
Energy: 0.8026520043224704
Energy: 0.6153549544875178
Energy: 0.6185596197752433
Energy: 0.6153573113779628
Energy: 0.6184802227421745
Energy: 0.61537138217169
Energy: 0.6185488361852967
Energy: 0.6153876539309192
Energy: 0.6184673732626842
Energy: 0.6345220637212328
Energy: 0.6184604256665703
Energy: 0.6346148281265815
Energy: 0.6184431271149251
Energy: 0.6346471336116949
Energy: 0.6184399144577332
Energy: 0.5508919558303383
Energy: 0.5532817074543963
Energy: 0.550888569983979
Energy: 0.5538158505250074
Energy: 0.5514733460252977
Energy: 0.5535089122884618
Energy: 0.5508915173548953
Energy: 0.6133859599507376
Energy: 0.6046881741992985
Energy: 0.6134229032046069
Energy: 0.6047466081388598
Energy: 0.6133585962078071
Energy: 0.6047546902164636
Energy: 0.6134385829986416
Energy: 0.577403640277843
Energy: 0.6578379928262716
Energy: 0.5774007282294262
Energy: 0.6578326926760629
Energy: 0.5766165336474998
Energy: 0.6578335178736923
Energy: 0.5773887164736544
Energy: 0.5543249255889647
Energy: 0.6183500686502242
Energy: 0.5543030831047616
Energy: 0.6182993963227422
Energy: 0.5543072126523753
Energy: 0.6183206586290353
Energy: 0.554324969392608
Energy: 0.5968907060677994
Energy: 0.577202871748594
Energy: 0.5969195115049561
Energy: 0.5771780173283325
Energy: 0.596858972909742
Energy: 0.5773447610374793
Energy: 0.5968044566872572
Energy: 0.5207267709819882
Energy: 0.5772649431572798
Energy: 0.5207268107504206
Energy: 0.5771566750534024
Energy: 0.520694009913646
Energy: 0.5771760161088056
Energy: 0.5206917324054573
Energy: 0.5459372008543967
Energy: 0.7787332412678898
Energy: 0.5429422266883476
Energy: 0.778835955040984
Energy: 0.5429197654799635
Energy: 0.7786858701224277
Energy: 0.5429219701101612
Energy: 0.5482034525074828
Energy: 0.4435361759367146
Energy: 0.5482062489930912
Energy: 0.44358399403878457
Energy: 0.5481966090839286
Energy: 0.4435937060840341
Energy: 0.5482374028203296
Energy: 0.5686721219013051
Energy: 0.6173469059612648
Energy: 0.5686814154614194
Energy: 0.6173601021871511
Energy: 0.5686555686481878
Energy: 0.6173700682235679
Energy: 0.5686747596443866
Energy: 0.5390405729766952
Energy: 0.5713973637741645
Energy: 0.5390464657900931
Energy: 0.5713815644964704
Energy: 0.5388816697687926
Energy: 0.5713879259126103
Energy: 0.5390463274019621
Energy: 0.5436286713745944
Energy: 0.6622867029179612
Energy: 0.5432384740035422
Energy: 0.6622867029197916
Energy: 0.5434501725071791
Energy: 0.6622867029152156
Energy: 0.5433059540455404
Energy: 0.6401452035303106
Energy: 0.40856816048449307
Energy: 0.6400878937633133
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Energy: 0.5632059632805242
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Energy: 0.5633428946653335
Energy: 0.5425773403334885
Energy: 0.5633902546190642
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Energy: 0.4377785215441669
Energy: 0.5448468521642519
Energy: 0.4377178674007669
Energy: 0.5448458983340057
Energy: 0.437785788707483
Energy: 0.5448252107643758
Energy: 0.5134080294726007
Energy: 0.5806488213596446
Energy: 0.513430876067523
Energy: 0.5806538503321921
Energy: 0.5134263160389461
Energy: 0.580653251671536
Energy: 0.5134128904996457
Energy: 0.5312607356971994
Energy: 0.5723004523114795
Energy: 0.5312626617599407
Energy: 0.5723800211816151
Energy: 0.5312476532703836
Energy: 0.5722436971215856
Energy: 0.5312526369710384
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Energy: 0.4133074501857452
Energy: 0.5478179945986242
Energy: 0.41330745018025394
Energy: 0.5477031232991537
Energy: 0.4133074501756778
Energy: 0.5478223748724907

minimum gb energy = 0.40856816048449307 eV
minimum distance =  2.36144902934785 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

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Energy: 0.20811131055268334
Energy: 0.025292475821472902
Energy: 0.20800859836440377
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Energy: -0.42363851741596564
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Energy: 0.34002809015024604
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Energy: 0.3399934363976733
Energy: 0.5898307764125784
Energy: 0.33996922589794737
Energy: 0.5898328085159643
Energy: -0.39091149205709935
Energy: -0.03298780899429761
Energy: -0.38926919801017723
Energy: -0.03308576556782433
Energy: -0.389865647698426
Energy: -0.033448147090364935
Energy: -0.39048139310887087
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Energy: 0.07312331851176053
Energy: 0.6453770402793129
Energy: 0.07373887907144011
Energy: 0.6453711721929558
Energy: 0.08024511474904933
Energy: 0.6453952642811549

minimum gb energy = -0.48783832382456416 eV
minimum distance =  2.40253136702016 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.27107686021924504
Energy: 0.27302263728758747
Energy: 0.27107686021924504
Energy: 0.27302263728758747
Energy: 0.27107686021924504
Energy: 0.27302263728758747
Energy: 0.2710768602203967
Energy: 2.241769241513759
Energy: 0.9852353085294373
Energy: 1.8949553473342386
Energy: 0.9852353085305889
Energy: 1.89496749300099
Energy: 0.9852353085282857
Energy: 2.2417692398665285
Energy: 0.2710768602180934
Energy: 0.27302263728758747
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Energy: 0.2730226372841327
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Energy: 0.27302263728758747
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Energy: 2.24176924222975
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Energy: 2.241769242342556
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Energy: 0.2730226372887391
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Energy: 0.2730226372841327
Energy: 0.27107686021924504
Energy: 0.27302263728643583
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Energy: 0.9852353085305889
Energy: 2.2417692420018085
Energy: 0.9852353085282857
Energy: 2.2417692423793816
Energy: 0.9852353085305889
Energy: 2.2417692423736235
Energy: 0.27107686021924504
Energy: 0.27302263728758747
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Energy: 0.27302263728643583
Energy: 0.27107686021924504
Energy: 0.27302263728758747
Energy: 0.2710768602203967
Energy: 2.2417692410302896
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Energy: 2.2417692423471625
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Energy: 2.2417692420167796
Energy: 0.9852353085282857
Energy: 2.241769242238937
Energy: 0.2710768602180934
Energy: 0.27302263728758747
Energy: 0.2710768602203967
Energy: 0.2730226372841327
Energy: 0.27107686021924504
Energy: 0.27302263728758747
Energy: 0.2710768602203967
Energy: 2.241769242240088
Energy: 0.9852353085282857
Energy: 2.2417692419753474
Energy: 0.9852353085282857
Energy: 2.241769241212166
Energy: 0.9852353085282857
Energy: 2.2417692419097315
Energy: 0.27107686021924504
Energy: 0.27302263728643583
Energy: 0.27107686021924504
Energy: 0.2730226372887391
Energy: 0.27107686021924504
Energy: 0.27302263728643583
Energy: 0.27107686021924504
Energy: 2.241769241996077
Energy: 0.9852353085305889
Energy: 2.2417692420697275
Energy: 0.9852353085294373
Energy: 2.241769242363259
Energy: 0.9852353085305889
Energy: 2.2417692419868636
Energy: 0.27107686021924504
Energy: 0.27302263728643583
Energy: 0.27107686021924504
Energy: 0.27302263728643583
Energy: 0.27107686021924504
Energy: 0.27302263728643583
Energy: 0.27107686021924504
Energy: 2.2417692421894433
Energy: 0.9852353085294373
Energy: 2.2417692406228
Energy: 0.9852353085305889
Energy: 2.241769242256211
Energy: 0.9852353085294373
Energy: 2.2417692423149176

minimum gb energy = 0.2710768602180934 eV
minimum distance =  2.29837884093447 Angstroms
sigma value = 23